diff --git a/.github/workflows/dotnet.yml b/.github/workflows/dotnet.yml
index 9de82f9..50d45f2 100644
--- a/.github/workflows/dotnet.yml
+++ b/.github/workflows/dotnet.yml
@@ -35,8 +35,8 @@ jobs:
       with:
           proj-path: Directory.Build.props
     - name: Pack
-      run: dotnet pack -c Release -o tmp -p:PackageVersion=${{steps.get-version.outputs.package-version}}-ci.${{ github.run_number }} --no-build --no-restore
+      run: dotnet pack -c Release -p:PackageVersion=${{steps.get-version.outputs.package-version}}-ci.${{ github.run_number }} --no-build --no-restore
     - run: cd ../
     - name: publish github
-      run: dotnet nuget push tmp\*.nupkg --skip-duplicate -k ${{secrets.GITHUB_TOKEN}} -s https://nuget.pkg.github.com/JensKrumsieck/index.json 
+      run: dotnet nuget push **\*.nupkg --skip-duplicate -k ${{secrets.GITHUB_TOKEN}} -s https://nuget.pkg.github.com/JensKrumsieck/index.json 
       if: ${{ github.event_name == 'push' && github.repository_owner == 'JensKrumsieck' }}
diff --git a/.github/workflows/publish.yml b/.github/workflows/publish.yml
index bd12f2e..e2dd738 100644
--- a/.github/workflows/publish.yml
+++ b/.github/workflows/publish.yml
@@ -40,9 +40,9 @@ jobs:
     - name: Test
       run: dotnet test --no-restore --verbosity normal
     - name: Pack
-      run: dotnet pack -c Release -o tmp --no-restore --no-build
+      run: dotnet pack -c Release --no-restore --no-build
     - run: cd ../
     - name: publish nuget
-      run: dotnet nuget push tmp\*.nupkg --skip-duplicate --no-symbols -k ${{secrets.NUGET_TOKEN}} -s https://api.nuget.org/v3/index.json  
+      run: dotnet nuget push **\*.nupkg --skip-duplicate --no-symbols -k ${{secrets.NUGET_TOKEN}} -s https://api.nuget.org/v3/index.json  
     - name: publish github
-      run: dotnet nuget push tmp\*.nupkg --skip-duplicate --no-symbols -k ${{secrets.GITHUB_TOKEN}} -s https://nuget.pkg.github.com/JensKrumsieck/index.json 
+      run: dotnet nuget push **\*.nupkg --skip-duplicate --no-symbols -k ${{secrets.GITHUB_TOKEN}} -s https://nuget.pkg.github.com/JensKrumsieck/index.json 
diff --git a/ChemSharp.Molecules.Blazor/BlazorBond.cs b/ChemSharp.Molecules.Blazor/BlazorBond.cs
index 8cb1c95..172bf8d 100644
--- a/ChemSharp.Molecules.Blazor/BlazorBond.cs
+++ b/ChemSharp.Molecules.Blazor/BlazorBond.cs
@@ -1,4 +1,4 @@
-using ChemSharp.Molecules.Blazor.Extension;
+using ChemSharp.Molecules.Blazor.Extensions;
 using Microsoft.AspNetCore.Components;
 using Microsoft.JSInterop;
 
diff --git a/ChemSharp.Molecules.Blazor/BlazorMolecule.cs b/ChemSharp.Molecules.Blazor/BlazorMolecule.cs
index 5907037..b4b72aa 100644
--- a/ChemSharp.Molecules.Blazor/BlazorMolecule.cs
+++ b/ChemSharp.Molecules.Blazor/BlazorMolecule.cs
@@ -1,4 +1,4 @@
-using ChemSharp.Molecules.Blazor.Extension;
+using ChemSharp.Molecules.Blazor.Extensions;
 using Microsoft.AspNetCore.Components;
 using Microsoft.AspNetCore.Components.Rendering;
 using Microsoft.JSInterop;
diff --git a/ChemSharp.Molecules.Blazor/BlazorMoleculeFactory.cs b/ChemSharp.Molecules.Blazor/BlazorMoleculeFactory.cs
index 3ecced6..494923a 100644
--- a/ChemSharp.Molecules.Blazor/BlazorMoleculeFactory.cs
+++ b/ChemSharp.Molecules.Blazor/BlazorMoleculeFactory.cs
@@ -1,4 +1,4 @@
-using ChemSharp.Files;
+using ChemSharp.Extensions;
 using Microsoft.AspNetCore.Components.Forms;
 
 namespace ChemSharp.Molecules.Blazor;
@@ -13,7 +13,7 @@ public static class BlazorMoleculeFactory
 	/// <returns></returns>
 	public static Molecule Create(IBrowserFile file, long maxFileSize = 8192000L)
 	{
-		var extension = FileHandler.GetExtension(file.Name);
+		var extension = FileUtil.GetExtension(file.Name);
 		var stream = file.OpenReadStream(maxFileSize);
 		return Molecule.FromStream(stream, extension);
 	}
diff --git a/ChemSharp.Molecules.Blazor/Extension/JSInteropUtil.cs b/ChemSharp.Molecules.Blazor/Extensions/JSInteropUtil.cs
similarity index 91%
rename from ChemSharp.Molecules.Blazor/Extension/JSInteropUtil.cs
rename to ChemSharp.Molecules.Blazor/Extensions/JSInteropUtil.cs
index 7435225..fb86d96 100644
--- a/ChemSharp.Molecules.Blazor/Extension/JSInteropUtil.cs
+++ b/ChemSharp.Molecules.Blazor/Extensions/JSInteropUtil.cs
@@ -1,6 +1,6 @@
 using Microsoft.JSInterop;
 
-namespace ChemSharp.Molecules.Blazor.Extension;
+namespace ChemSharp.Molecules.Blazor.Extensions;
 
 public static class JSInteropUtil
 {
diff --git a/ChemSharp.Molecules.Blazor/Extension/MoleculeUtil.cs b/ChemSharp.Molecules.Blazor/Extensions/MoleculeUtil.cs
similarity index 93%
rename from ChemSharp.Molecules.Blazor/Extension/MoleculeUtil.cs
rename to ChemSharp.Molecules.Blazor/Extensions/MoleculeUtil.cs
index 594912c..0d3af12 100644
--- a/ChemSharp.Molecules.Blazor/Extension/MoleculeUtil.cs
+++ b/ChemSharp.Molecules.Blazor/Extensions/MoleculeUtil.cs
@@ -1,6 +1,6 @@
 using System.Numerics;
 
-namespace ChemSharp.Molecules.Blazor.Extension;
+namespace ChemSharp.Molecules.Blazor.Extensions;
 
 public static class MoleculeUtil
 {
diff --git a/ChemSharp.Molecules/ChemSharp.Molecules.csproj b/ChemSharp.Molecules/ChemSharp.Molecules.csproj
index 8b18cd7..34d20c2 100644
--- a/ChemSharp.Molecules/ChemSharp.Molecules.csproj
+++ b/ChemSharp.Molecules/ChemSharp.Molecules.csproj
@@ -7,8 +7,8 @@
   </PropertyGroup>
 
   <ItemGroup>
-    <PackageReference Include="Nodo" Version="0.0.1-alpha.1"/>
-    <PackageReference Include="System.Text.Json" Version="7.0.0"/>
+    <PackageReference Include="Nodo" Version="1.0.0"/>
+    <PackageReference Include="System.Text.Json" Version="7.0.2"/>
     <ProjectReference Include="..\ChemSharp\ChemSharp.csproj"/>
     <ProjectReference Include="..\Generators\ChemSharp.Molecules.Generator\ChemSharp.Molecules.Generator.csproj" OutputItemType="Analyzer" ReferenceOutputAssembly="false"/>
   </ItemGroup>
diff --git a/ChemSharp.Molecules/README.md b/ChemSharp.Molecules/README.md
index 30f42a8..3a76231 100644
--- a/ChemSharp.Molecules/README.md
+++ b/ChemSharp.Molecules/README.md
@@ -4,65 +4,4 @@
 
 [![NuGet Badge](https://buildstats.info/nuget/ChemSharp.Molecules?includePreReleases=true)](https://www.nuget.org/packages/ChemSharp.Molecules/)
 
-Package for processing of molecule related files.
-
-### Features
-
-* Open and process Molecular files (see [Supported Filetypes](#supported-filetypes))
-* Sum formula operations and elemental analysis calculation
-* Using Elemental Data from https://github.com/JensKrumsieck/periodic-table
-* Blazor
-  View: `ChemSharp.Molecules.Blazor`  [![NuGet Badge](https://buildstats.info/nuget/ChemSharp.Molecules.Blazor?includePreReleases=true)](https://www.nuget.org/packages/ChemSharp.Molecules.Blazor/)
-
-## Basic Usage
-
-#### Create Molecules
-
-Molecules can be created in a lot of ways. The easiest way is to use MoleculeFactory.Create, which accepts a string
-path. Depending on the File extension the correct DataProvider is used to load the file.
-
-  ```csharp
-  //Creates a molecule from cif file
-  const string path = "files/cif.cif";
-  var mol = MoleculeFactory.Create(path);
-  ```
-
-It is also possible to create a Molecule by using a specific DataProvider (e.g. if automatic detection fails or you only
-want to support a selected number of file types)
-
-  ```csharp
-  //You can also create molecules by selecting the provider yourself
-  const string path = "files/benzene.mol2";
-  var provider = new Mol2DataProvider(path);
-  var mol = new Molecule(provider);
-  ```
-
-You can also add [Atoms and Bonds](https://github.com/JensKrumsieck/ChemSharp/wiki/Element-Atom-Bond) as Lists if you
-got the data from somewhere else.
-
-  ```csharp
-  //...or by just adding the Atoms & Bonds as Lists
-  const string path = "files/cif.cif";
-  var provider = new CIFDataProvider(path);
-  var mol = new Molecule(provider.Atoms, provider.Bonds);
-  ```
-
-## Supported Files:
-
-* **Import** (XYZ, CIF (crystallographic information file, CCDC), MOL2 (TRIPOS Mol2), PDB (Protein Data Bank file),
-  CDXML (Single Molecule only))
-* **Export** (XYZ, MOL2)
-
-<hr/>
-
-#### Used Libraries:
-
-* [MathNet.Numerics](https://github.com/mathnet/mathnet-numerics)
-
-#### Compatibility
-
-* .NET Standard 2.0, .NET Standard 2.1, .NET 5, .NET 6
-* Unity (see [Wiki](https://github.com/JensKrumsieck/ChemSharp/wiki/Use-with-Unity)
-  <a href="https://github.com/JensKrumsieck/ChemSharp/wiki/Use-with-Unity"><img src="https://img.shields.io/badge/Unity-100000?logo=unity&logoColor=white"/></a>)
-* Godot Engine (see [Wiki](https://github.com/JensKrumsieck/ChemSharp/wiki/Use-with-Godot-Engine) for Snippet)
-* Blazor (see ChemSharp.Molecules.Blazor)
+Package for processing of molecule related files.
\ No newline at end of file
diff --git a/ChemSharp.Spectroscopy/DataProviders/BrukerEPRProvider.cs b/ChemSharp.Spectroscopy/DataProviders/BrukerEPRProvider.cs
deleted file mode 100644
index 2bf4453..0000000
--- a/ChemSharp.Spectroscopy/DataProviders/BrukerEPRProvider.cs
+++ /dev/null
@@ -1,64 +0,0 @@
-using ChemSharp.DataProviders;
-using ChemSharp.Extensions;
-using ChemSharp.Files;
-
-namespace ChemSharp.Spectroscopy.DataProviders;
-
-public class BrukerEPRProvider : AbstractXYDataProvider, IParameterProvider
-{
-	/// <summary>
-	///     import recipes
-	/// </summary>
-	static BrukerEPRProvider()
-	{
-		if (!FileHandler.RecipeDictionary.ContainsKey("par"))
-			FileHandler.RecipeDictionary.Add("par", s => new ParameterFile(s, ' '));
-
-		if (!FileHandler.RecipeDictionary.ContainsKey("spc"))
-			FileHandler.RecipeDictionary.Add("spc", s => new PlainFile<float>(s));
-	}
-
-	/// <summary>
-	///     ctor
-	/// </summary>
-	/// <param name="path"></param>
-	public BrukerEPRProvider(string path) : base(path)
-	{
-		var filePath = System.IO.Path.GetDirectoryName(path) + "/" + System.IO.Path.GetFileNameWithoutExtension(path);
-		XYData = HandleData(filePath).ToArray();
-	}
-
-	/// <summary>
-	///     <inheritdoc />
-	/// </summary>
-	public IDictionary<string, string> Storage { get; set; }
-
-	/// <summary>
-	///     <inheritdoc />
-	/// </summary>
-	/// <param name="index"></param>
-	/// <returns></returns>
-	public string this[string index] => Storage[index];
-
-	/// <summary>
-	///     calculates x axis
-	/// </summary>
-	/// <param name="path"></param>
-	private IEnumerable<DataPoint> HandleData(string path)
-	{
-		var parFile = (ParameterFile)FileHandler.Handle(path + ".par");
-		var spcFile = (PlainFile<float>)FileHandler.Handle(path + ".spc");
-
-		//copy storage
-		Storage = parFile.Storage;
-
-		var res = this["RES"].ToInt();
-		var hcf = this["HCF"].ToDouble();
-		var hsw = this["HSW"].ToDouble();
-
-		var min = hcf - hsw / 2;
-		var d = hsw / (res - 1);
-
-		for (var i = 0; i < res; i++) yield return new DataPoint(min + d * i, Convert.ToDouble(spcFile.Content[i]));
-	}
-}
diff --git a/ChemSharp.Spectroscopy/DataProviders/BrukerNMRProvider.cs b/ChemSharp.Spectroscopy/DataProviders/BrukerNMRProvider.cs
deleted file mode 100644
index 0683d7a..0000000
--- a/ChemSharp.Spectroscopy/DataProviders/BrukerNMRProvider.cs
+++ /dev/null
@@ -1,141 +0,0 @@
-using System.Numerics;
-using ChemSharp.DataProviders;
-using ChemSharp.Extensions;
-using ChemSharp.Files;
-using ChemSharp.Mathematics;
-
-namespace ChemSharp.Spectroscopy.DataProviders;
-
-public class BrukerNMRProvider : AbstractXYDataProvider, IParameterProvider
-{
-	/// <summary>
-	///     You can force the library to process the fid file instead of 1r/1i if they are present
-	/// </summary>
-	private readonly bool _forceFID;
-
-	static BrukerNMRProvider()
-	{
-		if (!FileHandler.RecipeDictionary.ContainsKey("acqus"))
-			FileHandler.RecipeDictionary.Add("acqus", s => new ParameterFile(s, '='));
-
-		if (!FileHandler.RecipeDictionary.ContainsKey("procs"))
-			FileHandler.RecipeDictionary.Add("procs", s => new ParameterFile(s, '='));
-
-		if (!FileHandler.RecipeDictionary.ContainsKey("fid"))
-			FileHandler.RecipeDictionary.Add("fid", s => new PlainFile<int>(s));
-
-		if (!FileHandler.RecipeDictionary.ContainsKey("1r"))
-			FileHandler.RecipeDictionary.Add("1r", s => new PlainFile<int>(s));
-
-		if (!FileHandler.RecipeDictionary.ContainsKey("1i"))
-			FileHandler.RecipeDictionary.Add("1i", s => new PlainFile<int>(s));
-	}
-
-	/// <summary>
-	///     ctor
-	/// </summary>
-	/// <param name="path"></param>
-	/// <param name="forceFid">Use FID instead of processed files</param>
-	public BrukerNMRProvider(string path, bool forceFid = false) : base(path)
-	{
-		_forceFID = forceFid;
-		SelectStrategy(path);
-	}
-
-	/// <summary>
-	///     default ctor
-	/// </summary>
-	/// <param name="path"></param>
-	public BrukerNMRProvider(string path) : this(path, false) { }
-
-	/// <inheritdoc />
-	public IDictionary<string, string> Storage { get; set; }
-
-	/// <inheritdoc />
-	public string this[string index] => Storage[index];
-
-	/// <summary>
-	///     Selects which strategy to use for XYData Generation
-	/// </summary>
-	/// <param name="path"></param>
-	/// <exception cref="InvalidDataException"></exception>
-	private void SelectStrategy(string path)
-	{
-		var builder = PathBuilder(path);
-		Storage = ((ParameterFile)FileHandler.Handle(builder["acqus"])).Storage;
-
-		var sw = this["##$SW_h"].ToDouble();
-		var cnt = this["##$TD"].ToInt() / 2;
-		var freq = this["##$SFO1"].ToDouble() * 1e6;
-
-		//array needs to be power of 2
-		var fftSize = MathUtil.PowerOf2(cnt) ? cnt : MathUtil.NextPowerOf2(cnt);
-		var freqData = CollectionsUtil.LinearRange(-sw / 2, sw / 2, cnt).ToArray();
-
-		//get ppm scale
-		var ppmData = fftSize == cnt
-			? freqData.Select(s => s / freq * 1e6).ToArray()
-			: CollectionsUtil.LinearRange(-sw / 2, sw / 2, fftSize).Select(s => s / freq * 1e6f).ToArray();
-
-		if (File.Exists(builder["procs"]))
-		{
-			Storage.Add("##$OFFSET", ((ParameterFile)FileHandler.Handle(builder["procs"])).Storage["##$OFFSET"]);
-			var max = ppmData.Max();
-			ppmData = ppmData.Select(s => s + this["##$OFFSET"].ToDouble() - max).ToArray();
-		}
-
-		//use processed data, 1r and 1i contain processed nmr data where 1r contains the real and 1i the imaginary part.
-		if (File.Exists(builder["1i"]) && File.Exists(builder["1r"]) && !_forceFID)
-			XYData = DataPoint.FromDoubles(ppmData, HandleProcessed(builder).Reverse().ToArray()).ToArray();
-		else
-			XYData = DataPoint.FromDoubles(ppmData, HandleFid(builder["fid"]).ToArray()).ToArray();
-	}
-
-	/// <summary>
-	///     builds path to open files
-	/// </summary>
-	/// <param name="filename"></param>
-	/// <returns></returns>
-	private static Dictionary<string, string> PathBuilder(string filename)
-	{
-		var path = System.IO.Path.GetDirectoryName(filename);
-		if (path != null && path.Contains("pdata"))
-			path = System.IO.Path.GetFullPath(System.IO.Path.Combine(path, @"..\..\"));
-
-		var dic = new Dictionary<string, string>
-		{
-			{"fid", path + "\\fid"},
-			{"acqus", path + "\\acqus"},
-			{"1r", path + "\\pdata\\1\\1r"},
-			{"1i", path + "\\pdata\\1\\1r"},
-			{"procs", path + "\\pdata\\1\\procs"}
-		};
-		return dic;
-	}
-
-	/// <summary>
-	///     Handles FID
-	/// </summary>
-	/// <param name="path"></param>
-	/// <returns></returns>
-	private static IEnumerable<double> HandleFid(string path)
-	{
-		var file = (PlainFile<int>)FileHandler.Handle(path);
-		var cmplx = file.Content.ToComplexes().ToArray();
-		var fourier = cmplx.Radix2FFT().ToInts().FftShift().ToDoubles();
-		return fourier;
-	}
-
-	/// <summary>
-	///     Handles 1r/1i
-	/// </summary>
-	/// <param name="builder"></param>
-	/// <returns></returns>
-	private static IEnumerable<double> HandleProcessed(Dictionary<string, string> builder)
-	{
-		var oneR = (PlainFile<int>)FileHandler.Handle(builder["1r"]);
-		var oneI = (PlainFile<int>)FileHandler.Handle(builder["1i"]);
-		for (var i = 0; i < oneR.Content.Length; i++)
-			yield return new Complex(oneR.Content[i], oneI.Content[i]).Magnitude;
-	}
-}
diff --git a/ChemSharp.Spectroscopy/DataProviders/GenericCSVProvider.cs b/ChemSharp.Spectroscopy/DataProviders/GenericCSVProvider.cs
deleted file mode 100644
index 3c940b8..0000000
--- a/ChemSharp.Spectroscopy/DataProviders/GenericCSVProvider.cs
+++ /dev/null
@@ -1,56 +0,0 @@
-using ChemSharp.DataProviders;
-
-namespace ChemSharp.Spectroscopy.DataProviders;
-
-/// <summary>
-///     Uses MultiCSVProvider to directly create XYDataProvider from first item
-/// </summary>
-public class GenericCSVProvider : IXYDataProvider, IParameterProvider
-{
-	/// <summary>
-	///     Common CSV Translations
-	/// </summary>
-	private static readonly Dictionary<string, string> Translations = new() {{"Wavelength", "λ"}, {"Abs", "rel. Abs."}};
-
-	/// <summary>
-	///     <inheritdoc cref="MultiCSVProvider" />
-	/// </summary>
-	/// <param name="path"></param>
-	/// <param name="delimiter"></param>
-	/// <param name="headerPos"></param>
-	/// <param name="dataOffset"></param>
-	public GenericCSVProvider(string path, char delimiter = ',', int dataOffset = 0)
-	{
-		Path = path;
-		var multiCSV = new MultiCSVProvider(path, delimiter);
-		XYData = multiCSV.MultiXYData[dataOffset];
-		var (xHeader, yHeader) = multiCSV.XYHeaders[dataOffset];
-
-		var xHeaderArr = xHeader.Split(' ');
-		xHeader = xHeaderArr[0];
-		var unit = "";
-		if (xHeaderArr.Length > 1) unit = xHeaderArr[1];
-
-		Storage.Add("Unit", unit);
-
-		//use translations
-		if (Translations.ContainsKey(yHeader)) yHeader = Translations[yHeader];
-
-		if (Translations.ContainsKey(xHeader)) xHeader = Translations[xHeader];
-
-		Storage.Add("XHeader", xHeader);
-		Storage.Add("YHeader", yHeader);
-	}
-
-	/// <inheritdoc />
-	public IDictionary<string, string> Storage { get; set; } = new Dictionary<string, string>();
-
-	/// <inheritdoc />
-	public string this[string index] => Storage[index];
-
-	/// <inheritdoc />
-	public DataPoint[] XYData { get; set; }
-
-	/// <inheritdoc />
-	public string Path { get; set; }
-}
diff --git a/ChemSharp.Spectroscopy/DataProviders/MultiCSVProvider.cs b/ChemSharp.Spectroscopy/DataProviders/MultiCSVProvider.cs
deleted file mode 100644
index e65aab2..0000000
--- a/ChemSharp.Spectroscopy/DataProviders/MultiCSVProvider.cs
+++ /dev/null
@@ -1,105 +0,0 @@
-using ChemSharp.Extensions;
-using ChemSharp.Files;
-
-namespace ChemSharp.Spectroscopy.DataProviders;
-
-/// <summary>
-///     class for reading all XY pairs in single csv file
-/// </summary>
-public class MultiCSVProvider
-{
-	/// <summary>
-	///     csv delimiter
-	/// </summary>
-	internal char Delimiter;
-
-	/// <summary>
-	///     The file's path
-	/// </summary>
-	public string Path;
-
-	static MultiCSVProvider()
-	{
-		if (!FileHandler.RecipeDictionary.ContainsKey("csv"))
-			FileHandler.RecipeDictionary.Add("csv", s => new PlainFile<string>(s));
-	}
-
-	/// <summary>
-	///     Creates new MultiCSVProvider.
-	/// </summary>
-	/// <param name="path"></param>
-	/// <param name="delimiter">The CSV column delimiter</param>
-	/// <exception cref="NotSupportedException">When File Length less or equal 3</exception>
-	public MultiCSVProvider(string path, char delimiter = ',')
-	{
-		Path = path;
-		Delimiter = delimiter;
-		var file = (PlainFile<string>)FileHandler.Handle(path);
-		if (file.Content.Length <= 3) throw new NotSupportedException("File Length to small");
-
-		var headerPos = CheckHeaderPos(file.Content);
-		GetData(file.Content, headerPos);
-	}
-
-	/// <summary>
-	///     List of Headers for columns (Item1 X, Item2 Y)
-	/// </summary>
-	public List<(string, string)> XYHeaders { get; set; } = new();
-
-	/// <summary>
-	///     List of XY DataPoint Lists
-	/// </summary>
-	public List<DataPoint[]> MultiXYData { get; set; } = new();
-
-	/// <summary>
-	///     Gets data from lines
-	/// </summary>
-	/// <param name="lines"></param>
-	/// <param name="headerPos"></param>
-	private void GetData(string[] lines, int headerPos)
-	{
-		var data = lines.Skip(headerPos + 1).ToArray();
-		var dataLength = data[0].Split(Delimiter).Length;
-		if (dataLength % 2 != 0) dataLength -= 1;
-
-		var headers = lines.ToArray()[headerPos];
-		for (var i = 0; i < dataLength; i += 2)
-		{
-			MultiXYData.Add(new DataPoint[data.Length]);
-			var line = headers.Split(Delimiter);
-			XYHeaders.Add((line[i], line[i + 1]));
-		}
-
-		for (var i = 0; i < data.Length; i++) //loop through lines
-		{
-			var columns = data[i].Split(Delimiter);
-			for (var j = 0; j < dataLength - 1; j += 2) //loop through columns
-			{
-				var x = columns[j];
-				var y = columns[j + 1];
-				if (string.IsNullOrEmpty(x) || string.IsNullOrEmpty(y)) continue;
-
-				var dp = new DataPoint(x.ToDouble(), y.ToDouble());
-				MultiXYData[j / 2][i] = dp;
-			}
-		}
-	}
-
-	/// <summary>
-	///     Try to get header position
-	/// </summary>
-	/// <param name="lines"></param>
-	/// <returns></returns>
-	private int CheckHeaderPos(IReadOnlyList<string> lines)
-	{
-		//start at 1 as 0 is fallback pos and we are returning i-1
-		for (var i = 1; i < lines.Count; i++)
-		{
-			var line = lines[i];
-			var split = line.Split(Delimiter);
-			if (double.TryParse(split[0], out _)) return i - 1;
-		}
-
-		return 0;
-	}
-}
diff --git a/ChemSharp.Spectroscopy/DataProviders/VarianUVVisProvider.cs b/ChemSharp.Spectroscopy/DataProviders/VarianUVVisProvider.cs
deleted file mode 100644
index 86ff084..0000000
--- a/ChemSharp.Spectroscopy/DataProviders/VarianUVVisProvider.cs
+++ /dev/null
@@ -1,41 +0,0 @@
-using ChemSharp.DataProviders;
-using ChemSharp.Files;
-
-namespace ChemSharp.Spectroscopy.DataProviders;
-
-public class VarianUVVisProvider : AbstractXYDataProvider
-{
-	/// <summary>
-	///     import recipes
-	/// </summary>
-	static VarianUVVisProvider()
-	{
-		if (!FileHandler.RecipeDictionary.ContainsKey("dsw"))
-			FileHandler.RecipeDictionary.Add("dsw", s =>
-			{
-				var file = new PlainFile<float>(s) {ByteOffset = 0x459};
-				file.CutOffLength = BitConverter.ToInt32(file.Bytes, 0x6d) * 8;
-				return file;
-			});
-	}
-
-	/// <summary>
-	///     ctor
-	/// </summary>
-	/// <param name="path"></param>
-	public VarianUVVisProvider(string path) : base(path) => XYData = HandleData(path).ToArray();
-
-	/// <summary>
-	///     Handles UVVis Data
-	/// </summary>
-	/// <param name="path"></param>
-	/// <returns></returns>
-	private static IEnumerable<DataPoint> HandleData(string path)
-	{
-		var file = (PlainFile<float>)FileHandler.Handle(path);
-		if (file.Content.Length % 2 != 0) throw new InvalidDataException("X and Y Axis Length mismatch");
-
-		for (var i = 0; i < file.Content.Length; i += 2)
-			yield return new DataPoint(file.Content[i], file.Content[i + 1]);
-	}
-}
diff --git a/ChemSharp.Spectroscopy/Export/AbstractSpectrumExporter.cs b/ChemSharp.Spectroscopy/Export/AbstractSpectrumExporter.cs
index 0a470c8..ad23408 100644
--- a/ChemSharp.Spectroscopy/Export/AbstractSpectrumExporter.cs
+++ b/ChemSharp.Spectroscopy/Export/AbstractSpectrumExporter.cs
@@ -12,10 +12,10 @@ public enum SpectrumExportFlags
 
 public abstract class AbstractSpectrumExporter
 {
-	public SpectrumExportFlags Flags = SpectrumExportFlags.Experimental;
+	protected SpectrumExportFlags Flags = SpectrumExportFlags.Experimental;
 
-	public Spectrum Spectrum { get; protected set; }
+	protected Spectrum Spectrum { get; set; }
 
-	public virtual void Export(IExportable exportable, Stream stream) => Spectrum =
+	protected virtual void Export(IExportable exportable, Stream stream) => Spectrum =
 		exportable as Spectrum ?? throw new NotSupportedException("Please use Spectrum Type");
 }
diff --git a/ChemSharp.Spectroscopy/Export/CSVExporter.cs b/ChemSharp.Spectroscopy/Export/CSVExporter.cs
index e1e66f8..b4cea0d 100644
--- a/ChemSharp.Spectroscopy/Export/CSVExporter.cs
+++ b/ChemSharp.Spectroscopy/Export/CSVExporter.cs
@@ -1,7 +1,6 @@
 using System.Text;
 using ChemSharp.Export;
 using ChemSharp.Extensions;
-using ChemSharp.Spectroscopy.Extension;
 
 namespace ChemSharp.Spectroscopy.Export;
 
@@ -10,7 +9,7 @@ public class CSVExporter : AbstractSpectrumExporter
 	/// <summary>
 	///     CSV Separator
 	/// </summary>
-	public char Separator = ',';
+	private char Separator = ',';
 
 	public static void Export(Spectrum spc, string filename, char separator,
 	                          SpectrumExportFlags flags = SpectrumExportFlags.Experimental)
@@ -29,8 +28,8 @@ public static string ExportToString(Spectrum spc, char separator,
 
 		var csv = new StringBuilder();
 		csv.AppendLine(spc.Title);
-		var xTitle = $"{spc.Quantity()}/{spc.Unit()}{separator}";
-		csv.AppendLine($"{xTitle}{spc.YQuantity()}{separator}" +
+		var xTitle = $"{spc.XQuantity}/{spc.XUnit}{separator}";
+		csv.AppendLine($"{xTitle}{separator}" +
 		               $"{(deriv ? $"{xTitle}Derivative" + separator : "")}" +
 		               $"{(integral ? $"{xTitle}Integral" + separator : "")}");
 
@@ -62,7 +61,7 @@ public static string ExportToString(Spectrum spc, char separator,
 	}
 
 
-	public override void Export(IExportable exportable, Stream stream)
+	protected override void Export(IExportable exportable, Stream stream)
 	{
 		base.Export(exportable, stream);
 		using var sw = new StreamWriter(stream);
diff --git a/ChemSharp.Spectroscopy/Extension/SpectrumExtensions.cs b/ChemSharp.Spectroscopy/Extension/SpectrumExtensions.cs
deleted file mode 100644
index 09ebb20..0000000
--- a/ChemSharp.Spectroscopy/Extension/SpectrumExtensions.cs
+++ /dev/null
@@ -1,67 +0,0 @@
-using ChemSharp.Extensions;
-using ChemSharp.Spectroscopy.DataProviders;
-
-namespace ChemSharp.Spectroscopy.Extension;
-
-public static class SpectrumExtensions
-{
-	private static readonly DateTime UNIX = new DateTime(1970, 1, 1, 0, 0, 0).ToLocalTime();
-
-	/// <summary>
-	///     Returns default Unit as String
-	/// </summary>
-	/// <param name="input"></param>
-	/// <returns></returns>
-	public static string Unit(this Spectrum input) =>
-		input.DataProvider switch
-		{
-			BrukerEPRProvider epr => epr["JUN"],
-			BrukerNMRProvider => "ppm",
-			VarianUVVisProvider => "nm",
-			GenericCSVProvider csv => csv["Unit"],
-			_ => ""
-		};
-
-	/// <summary>
-	///     Returns default Quantity for X Axis as String
-	/// </summary>
-	/// <param name="input"></param>
-	/// <returns></returns>
-	public static string Quantity(this Spectrum input) =>
-		input.DataProvider switch
-		{
-			BrukerEPRProvider => "B",
-			BrukerNMRProvider => "δ",
-			VarianUVVisProvider => "λ",
-			GenericCSVProvider csv => csv["XHeader"],
-			_ => ""
-		};
-
-	/// <summary>
-	///     Returns default Quantity for Y Axis as String
-	/// </summary>
-	/// <param name="input"></param>
-	/// <returns></returns>
-	public static string YQuantity(this Spectrum input) =>
-		input.DataProvider switch
-		{
-			BrukerEPRProvider => "a.u.",
-			BrukerNMRProvider => "a.u.",
-			VarianUVVisProvider => "rel. Abs.",
-			GenericCSVProvider csv => csv["YHeader"],
-			_ => ""
-		};
-
-	/// <summary>
-	///     Returns the Creation Date of Spectrum
-	/// </summary>
-	/// <param name="input"></param>
-	/// <returns></returns>
-	public static DateTime CreationDate(this Spectrum input) =>
-		input.DataProvider switch
-		{
-			BrukerEPRProvider => DateTime.Parse($"{input["JDA"]} {input["JTM"]}"),
-			BrukerNMRProvider => UNIX.AddSeconds(input["##$DATE"].ToInt()),
-			_ => File.GetCreationTime(input.Title)
-		};
-}
diff --git a/ChemSharp.Spectroscopy/Extensions/FileExtensions.cs b/ChemSharp.Spectroscopy/Extensions/FileExtensions.cs
new file mode 100644
index 0000000..244b994
--- /dev/null
+++ b/ChemSharp.Spectroscopy/Extensions/FileExtensions.cs
@@ -0,0 +1,46 @@
+namespace ChemSharp.Spectroscopy.Extensions;
+
+public static class FileExtensions
+{
+	internal static string[] BrukerNMRFiles = {"fid", "1r", "1i", "acqus", "procs"};
+	internal static string[] BrukerEPRFiles = {"par", "spc"};
+	internal static string[] VarianUVVisFiles = {"dsw"};
+	internal static string[] CSVFiles = {"csv"};
+
+	public static bool ValidateWithExtensions(string filename, IEnumerable<string> extensions)
+	{
+		if (!extensions.Contains(Path.GetExtension(filename).ToLower())) return false;
+		var baseName = GetBaseFilename(filename);
+		return extensions.All(ext => File.Exists(baseName + ext.ToLower()) || File.Exists(baseName + ext.ToUpper()));
+	}
+
+	public static bool ValidateBrukerNMR(string filename, IEnumerable<string> filenames)
+	{
+		var baseName = GetBrukerStyleBaseName(filename);
+		return filenames.Where(file => !file.Contains("pdata")).All(file => File.Exists(baseName + file));
+	}
+
+	public static string GetBaseFilename(string filename) => Path.GetExtension(filename) != ""
+		? $"{Path.GetDirectoryName(filename)}\\{Path.GetFileNameWithoutExtension(filename)}"
+		: GetBrukerStyleBaseName(filename);
+
+	private static string GetBrukerStyleBaseName(string filename)
+	{
+		var baseName = Path.GetDirectoryName(filename);
+		if (baseName.Contains("pdata")) baseName = Path.GetFullPath(Path.Combine(baseName, @"..\..\"));
+		return baseName + @"\";
+	}
+
+	public static Dictionary<string, string> ReadStorageFile(string file, char delimiter)
+	{
+		var content = File.ReadAllLines(file);
+		var storage = (from line in content
+		               select line.Split(new[] {delimiter}, 2, StringSplitOptions.RemoveEmptyEntries)
+		               into raw
+		               where raw.Length == 2
+		               select new KeyValuePair<string, string>(raw[0].Trim(),
+		                                                       raw[1].Trim()))
+			.ToDictionary(kvp => kvp.Key, kvp => kvp.Value);
+		return storage;
+	}
+}
diff --git a/ChemSharp.Spectroscopy/Formats/BrukerEPRFormat.cs b/ChemSharp.Spectroscopy/Formats/BrukerEPRFormat.cs
new file mode 100644
index 0000000..a654a0e
--- /dev/null
+++ b/ChemSharp.Spectroscopy/Formats/BrukerEPRFormat.cs
@@ -0,0 +1,45 @@
+using ChemSharp.Extensions;
+using ChemSharp.Spectroscopy.Extensions;
+
+namespace ChemSharp.Spectroscopy.Formats;
+
+public class BrukerEPRFormat : FileFormat
+{
+	private Dictionary<string, string> _storage;
+	private DataPoint[] XYData;
+
+	private BrukerEPRFormat()
+	{
+		ValidationMethod = FileExtensions.ValidateWithExtensions;
+		NeededFiles = new Dictionary<string, Action<string>> {{".par", ReadPAR}, {".spc", ReadSPC}};
+	}
+
+	private void ReadPAR(string file) =>
+		//files are usually short, can get away with reading all at once
+		_storage = FileExtensions.ReadStorageFile(file, ' ');
+
+	private void ReadSPC(string file)
+	{
+		var res = _storage["RES"].ToInt();
+		var hcf = _storage["HCF"].ToDouble();
+		var hsw = _storage["HSW"].ToDouble();
+		var min = hcf - hsw / 2;
+		var d = hsw / (res - 1);
+		XYData = new DataPoint[res];
+		var yData = new float[res];
+		var rawBytes = File.ReadAllBytes(file);
+		Buffer.BlockCopy(rawBytes, 0, yData, 0, rawBytes.Length);
+
+		for (var i = 0; i < res; i++) XYData[i] = new DataPoint(min + d * i, yData[i]);
+	}
+
+	public static Spectrum Read(string filename)
+	{
+		var format = new BrukerEPRFormat();
+		format.Load(filename);
+		return new Spectrum(format.XYData)
+		{
+			Title = filename, optionalParameters = format._storage, XQuantity = "B", XUnit = format._storage["JUN"]
+		};
+	}
+}
diff --git a/ChemSharp.Spectroscopy/Formats/BrukerNMRFormat.cs b/ChemSharp.Spectroscopy/Formats/BrukerNMRFormat.cs
new file mode 100644
index 0000000..eb152a6
--- /dev/null
+++ b/ChemSharp.Spectroscopy/Formats/BrukerNMRFormat.cs
@@ -0,0 +1,104 @@
+using System.Numerics;
+using ChemSharp.Extensions;
+using ChemSharp.Mathematics;
+using ChemSharp.Spectroscopy.Extensions;
+
+namespace ChemSharp.Spectroscopy.Formats;
+
+public class BrukerNMRFormat : FileFormat
+{
+	private Dictionary<string, string> _storage;
+	private int[]? oneI;
+	private int[]? oneR;
+	private double[] ppmData;
+
+	private DataPoint[]? XYData;
+
+	private BrukerNMRFormat()
+	{
+		ValidationMethod = FileExtensions.ValidateBrukerNMR;
+		//this order ensures all data is already present
+		NeededFiles = new Dictionary<string, Action<string>>
+		{
+			{"acqus", ReadAcqus},
+			{"pdata/1/procs", ReadProcs},
+			{"pdata/1/1r", Read1R},
+			{"pdata/1/1i", Read1I},
+			{"fid", ReadFid}
+		};
+	}
+
+	private void ReadAcqus(string file) => _storage = FileExtensions.ReadStorageFile(file, '=');
+
+	private void ReadProcs(string file)
+	{
+		if (!File.Exists(file)) return;
+		var procsStorage = FileExtensions.ReadStorageFile(file, '=');
+		//copy offset property from processed file
+		_storage.Add("##$OFFSET", procsStorage["##$OFFSET"]);
+	}
+
+	private void ReadFid(string file)
+	{
+		//processed data already available return!
+		if (XYData is not null) return;
+		BuildPPMData();
+		var rawBytes = File.ReadAllBytes(file);
+		var fidData = new int[rawBytes.Length / sizeof(int)];
+		Buffer.BlockCopy(rawBytes, 0, fidData, 0, rawBytes.Length);
+		var cmplx = fidData.ToComplexes().ToArray();
+		var fourier = cmplx.Radix2FFT().ToInts().FftShift().ToDoubles();
+		XYData = new DataPoint[ppmData.Length];
+		for (var i = 0; i < oneI.Length; i++)
+			XYData[i] = new DataPoint(ppmData[i], fourier[i]);
+	}
+
+	private void Read1R(string file)
+	{
+		if (!File.Exists(file)) return;
+		var rawBytes = File.ReadAllBytes(file);
+		oneR = new int[rawBytes.Length / sizeof(int)];
+		Buffer.BlockCopy(rawBytes, 0, oneR, 0, rawBytes.Length);
+	}
+
+	private void Read1I(string file)
+	{
+		//1r is read first
+		if (!File.Exists(file) || oneR is null) return;
+		var rawBytes = File.ReadAllBytes(file);
+		oneI = new int[rawBytes.Length / sizeof(int)];
+		Buffer.BlockCopy(rawBytes, 0, oneI, 0, rawBytes.Length);
+		BuildPPMData();
+		XYData = new DataPoint[ppmData.Length];
+		var yData = new double[ppmData.Length];
+		for (var i = 0; i < oneI.Length; i++)
+			yData[i] = new Complex(oneR[i], oneI[i]).Magnitude;
+		XYData = DataPoint.FromDoubles(ppmData, yData.Reverse().ToArray()).ToArray();
+	}
+
+	private void BuildPPMData()
+	{
+		var sw = _storage["##$SW_h"].ToDouble();
+		var cnt = _storage["##$TD"].ToInt() / 2;
+		var freq = _storage["##$SFO1"].ToDouble() * 1e6;
+		var fftSize = MathUtil.PowerOf2(cnt) ? cnt : MathUtil.NextPowerOf2(cnt);
+		var freqData = CollectionsUtil.LinearRange(-sw / 2, sw / 2, cnt);
+		ppmData = (fftSize == cnt ? freqData : CollectionsUtil.LinearRange(-sw / 2, sw / 2, fftSize))
+		          .Select(s => s / freq * 1e6).ToArray();
+		//do correction if possible
+		if (!_storage.ContainsKey("##$OFFSET")) return;
+		var offset = _storage["##$OFFSET"].ToDouble();
+		var max = ppmData.Max();
+		ppmData = ppmData.Select(s => s + offset - max).ToArray();
+	}
+
+	public static Spectrum Read(string filename)
+	{
+		var format = new BrukerNMRFormat();
+		format.Load(filename);
+		return new Spectrum(format.XYData)
+		{
+			Title = filename, optionalParameters = format._storage, XQuantity = "δ", XUnit = "ppm"
+		};
+	}
+}
diff --git a/ChemSharp.Spectroscopy/Formats/CSVFormat.cs b/ChemSharp.Spectroscopy/Formats/CSVFormat.cs
new file mode 100644
index 0000000..88d0ccf
--- /dev/null
+++ b/ChemSharp.Spectroscopy/Formats/CSVFormat.cs
@@ -0,0 +1,63 @@
+using ChemSharp.Memory;
+using ChemSharp.Spectroscopy.Extensions;
+
+namespace ChemSharp.Spectroscopy.Formats;
+
+public class CSVFormat : FileFormat
+{
+	private readonly List<List<DataPoint>> MultiXYData = new();
+	private readonly List<DataPoint> XYData = new();
+	private char _delimiter = ',';
+	private bool _firstDataRow = true;
+	private bool _multiple;
+
+	private CSVFormat()
+	{
+		ValidationMethod = FileExtensions.ValidateWithExtensions;
+		NeededFiles = new Dictionary<string, Action<string>> {{".csv", ReadCSV}};
+	}
+
+	private void ReadCSV(string file)
+	{
+		using var fs = File.OpenRead(file);
+		using var sr = new StreamReader(fs);
+		while (sr.Peek() > 0)
+		{
+			var line = sr.ReadLine().AsSpan();
+			ParseLine(line);
+		}
+	}
+
+	private void ParseLine(ReadOnlySpan<char> line)
+	{
+		var cols = line.Split(new[] {_delimiter}.AsSpan());
+		if (cols.Length == 0) return;
+		var firstItem = line.Slice(cols[0].start, cols[0].length);
+		if (!double.TryParse(firstItem.ToString(), out _)) return; //is header column
+		var lastX = 0d;
+		for (var i = 0; i < cols.Length; i++)
+		{
+			if (i % 2 == 1 && _multiple && _firstDataRow) MultiXYData.Add(new List<DataPoint>());
+			var item = line.Slice(cols[i].start, cols[i].length).ToSingle();
+			if (i % 2 == 0) lastX = item;
+			else if (!_multiple) XYData.Add(new DataPoint(lastX, item));
+			else MultiXYData[(i - 1) / 2].Add(new DataPoint(lastX, item));
+		}
+
+		_firstDataRow = false;
+	}
+
+	public static Spectrum Read(string filename, char delimiter)
+	{
+		var format = new CSVFormat {_delimiter = delimiter};
+		format.Load(filename);
+		return new Spectrum(format.XYData) {Title = filename};
+	}
+
+	public static List<Spectrum> ReadAll(string filename, char delimiter)
+	{
+		var format = new CSVFormat {_delimiter = delimiter, _multiple = true};
+		format.Load(filename);
+		return format.MultiXYData.Select(list => new Spectrum(list) {Title = filename}).ToList();
+	}
+}
diff --git a/ChemSharp.Spectroscopy/Formats/FileFormat.cs b/ChemSharp.Spectroscopy/Formats/FileFormat.cs
new file mode 100644
index 0000000..1e8f26f
--- /dev/null
+++ b/ChemSharp.Spectroscopy/Formats/FileFormat.cs
@@ -0,0 +1,28 @@
+using ChemSharp.Spectroscopy.Extensions;
+#if NETSTANDARD2_0
+//for Dictionary Deconstruct
+using ChemSharp.Extensions;
+#endif
+
+namespace ChemSharp.Spectroscopy.Formats;
+
+public abstract class FileFormat
+{
+	protected Dictionary<string, Action<string>> NeededFiles;
+	protected Func<string, IEnumerable<string>, bool> ValidationMethod;
+
+	protected void Load(string filename)
+	{
+		if (!ValidationMethod(filename, NeededFiles.Keys))
+			throw new
+				ArgumentException($"The file '{filename}' is not supported by {GetType().Name} or a needed file does not exist");
+		var baseFilename = FileExtensions.GetBaseFilename(filename);
+		foreach (var (ext, func) in NeededFiles)
+		{
+			var fileExtension = ext;
+			//some devices store extension in uppercase
+			if (!File.Exists(baseFilename + ext)) fileExtension = ext.ToUpper();
+			func(baseFilename + fileExtension);
+		}
+	}
+}
diff --git a/ChemSharp.Spectroscopy/Formats/VarianUVVisFormat.cs b/ChemSharp.Spectroscopy/Formats/VarianUVVisFormat.cs
new file mode 100644
index 0000000..14bb6e9
--- /dev/null
+++ b/ChemSharp.Spectroscopy/Formats/VarianUVVisFormat.cs
@@ -0,0 +1,34 @@
+using ChemSharp.Spectroscopy.Extensions;
+
+namespace ChemSharp.Spectroscopy.Formats;
+
+public class VarianUVVisFormat : FileFormat
+{
+	private readonly List<DataPoint> XYData = new();
+
+
+	private VarianUVVisFormat()
+	{
+		ValidationMethod = FileExtensions.ValidateWithExtensions;
+		NeededFiles = new Dictionary<string, Action<string>> {{".dsw", ReadDSW}};
+	}
+
+	private void ReadDSW(string file)
+	{
+		const int byteOffset = 0x459;
+		var byteArray = File.ReadAllBytes(file);
+		var cutOffLength = BitConverter.ToInt32(byteArray, 0x6d) * 8; //read length;
+		var data = new float[cutOffLength / sizeof(float)];
+		Buffer.BlockCopy(byteArray, byteOffset, data, 0, cutOffLength);
+		if (data.Length % 2 != 0) throw new InvalidDataException("X and Y Axis Length mismatch");
+		for (var i = 0; i < data.Length; i += 2)
+			XYData.Add(new DataPoint(data[i], data[i + 1]));
+	}
+
+	public static Spectrum Read(string filename)
+	{
+		var format = new VarianUVVisFormat();
+		format.Load(filename);
+		return new Spectrum(format.XYData) {Title = filename, XQuantity = "λ", XUnit = "nm"};
+	}
+}
diff --git a/ChemSharp.Spectroscopy/README.md b/ChemSharp.Spectroscopy/README.md
index 248e7e1..30175a2 100644
--- a/ChemSharp.Spectroscopy/README.md
+++ b/ChemSharp.Spectroscopy/README.md
@@ -3,53 +3,3 @@
 <h1 align="center" >ChemSharp.Spectroscopy</h1>
 
 [![NuGet Badge](https://buildstats.info/nuget/ChemSharp.Spectroscopy?includePreReleases=true)](https://www.nuget.org/packages/ChemSharp.Spectroscopy/)
-
-### Features
-
-* Open and process Spectroscopy related files (see [Supported Filetypes](#supported-filetypes))
-
-#### Create Spectra
-
-Spectra can be created in a lot of ways. The easiest way is to use `SpectrumFactory.Create`, which accepts
-a `string path`. Depending on the File extension the correct DataProvider is used to load the file.
-
-```csharp
-//Creates an UV/Vis Spectrum
-const string path = "files/uvvis.dsw";
-var uvvis = SpectrumFactory.Create(path);
-```
-
-It is also possible to create a Spectrum by using a specific DataProvider (e.g. if automatic detection fails or you only
-want to support a selected number of file types)
-
-```csharp
-//You can also create spectra by choosing the provider 
-//explicitly. e.g. csv files
-//Reads in an CSV Spectrum (first data only)
-const string path = "files/uvvis.csv";
-var prov = new GenericCSVProvider(path);
-var uvvis = new Spectrum(prov);
-```
-
-There is also the MultiCSVProvider which can provide data from multiple XY pairs in a csv file
-
-```csharp
-//To read in all CSV Data stored as (X,Y) pairs use the MultiCSVProvider
-//Each Spectrum will be stored as DataPoint[] in MultiXYData
-const string file = "files/multicsv.csv";
-var provider = new MultiCSVProvider(file);
-```
-
-### Supported Filetypes
-
-* **Import** (Varian/Agilient DSW, Bruker EMX SPC/PAR, Bruker TopSpin (fid, (1r/1i processed spectra), JCAMP-DX (acqus,
-  procs, ...)), CSV)
-* **Export** (CSV)
-
-#### Used Libraries:
-
-* [MathNet.Numerics](https://github.com/mathnet/mathnet-numerics)
-
-#### Compatibility
-
-* .NET Standard 2.0, .NET Standard 2.1, .NET 5, .NET 6
diff --git a/ChemSharp.Spectroscopy/Spectrum.cs b/ChemSharp.Spectroscopy/Spectrum.cs
index 0d9fc16..22429da 100644
--- a/ChemSharp.Spectroscopy/Spectrum.cs
+++ b/ChemSharp.Spectroscopy/Spectrum.cs
@@ -1,27 +1,34 @@
-using ChemSharp.DataProviders;
-using ChemSharp.Export;
+using ChemSharp.Export;
+using ChemSharp.Extensions;
 using ChemSharp.Mathematics;
-using ChemSharp.Spectroscopy.Extension;
+using ChemSharp.Spectroscopy.Extensions;
+using ChemSharp.Spectroscopy.Formats;
 
 namespace ChemSharp.Spectroscopy;
 
-public class Spectrum : ISpectrum, IDataObject, IExportable
+public class Spectrum : ISpectrum, IExportable
 {
 	/// <summary>
 	///     Backing field for <see cref="Spectrum.Derivative" />
 	/// </summary>
-	private List<DataPoint> _derivative;
+	private List<DataPoint>? _derivative;
 
 	/// <summary>
 	///     Backing field for <see cref="Spectrum.Integral" />
 	/// </summary>
-	private List<DataPoint> _integral;
+	private List<DataPoint>? _integral;
 
-	public Spectrum(IXYDataProvider provider)
-	{
-		DataProvider = provider;
-		DataProviderChanged();
-	}
+	/// <summary>
+	///     Quantity of X-Axis
+	/// </summary>
+	public string XQuantity = "X";
+
+	/// <summary>
+	///     Unit of X-Axis
+	/// </summary>
+	public string XUnit = "a.u.";
+
+	public Spectrum(IEnumerable<DataPoint> dataPoints) => XYData = dataPoints.ToList();
 
 	/// <summary>
 	///     Derivative of XYData
@@ -34,26 +41,16 @@ public Spectrum(IXYDataProvider provider)
 	public List<DataPoint> Integral => _integral ??= XYData.Integrate().ToList();
 
 	/// <summary>
-	///     Indexer for Properties
+	///     backing field for this Indexer
 	/// </summary>
-	/// <param name="index"></param>
-	/// <returns></returns>
-	public string this[string index]
-	{
-		get
-		{
-			if (DataProvider is IParameterProvider provider) return provider[index];
-
-			throw new Exception("There is no Parameter Provider added");
-		}
-	}
-
-	public DateTime CreationDate => this.CreationDate();
+	internal Dictionary<string, string> optionalParameters { get; init; }
 
 	/// <summary>
-	///     <inheritdoc />
+	///     Indexer for Properties
 	/// </summary>
-	public IXYDataProvider DataProvider { get; }
+	/// <param name="index"></param>
+	/// <returns></returns>
+	public string this[string index] => optionalParameters[index];
 
 	/// <summary>
 	///     <inheritdoc cref="ISpectrum.XYData" />
@@ -65,18 +62,18 @@ public string this[string index]
 	/// </summary>
 	public string Title { get; set; }
 
-	/// <summary>
-	///     When DataProvider is changed, add data
-	/// </summary>
-	private void DataProviderChanged()
-	{
-		XYData = DataProvider.XYData.ToList();
-		Title = DataProvider.Path;
-	}
-
 	/// <summary>
 	///     Returns the Title
 	/// </summary>
 	/// <returns></returns>
 	public override string ToString() => Title;
+
+	public static Spectrum FromFile(string path)
+	{
+		var ext = FileUtil.GetExtension(path);
+		if (FileExtensions.BrukerNMRFiles.Contains(ext)) return BrukerNMRFormat.Read(path);
+		if (FileExtensions.BrukerEPRFiles.Contains(ext)) return BrukerEPRFormat.Read(path);
+		if (FileExtensions.VarianUVVisFiles.Contains(ext)) return VarianUVVisFormat.Read(path);
+		return FileExtensions.CSVFiles.Contains(ext) ? CSVFormat.Read(path, ',') : null;
+	}
 }
diff --git a/ChemSharp.Spectroscopy/SpectrumFactory.cs b/ChemSharp.Spectroscopy/SpectrumFactory.cs
deleted file mode 100644
index dfc6156..0000000
--- a/ChemSharp.Spectroscopy/SpectrumFactory.cs
+++ /dev/null
@@ -1,43 +0,0 @@
-using ChemSharp.DataProviders;
-using ChemSharp.Files;
-using ChemSharp.Spectroscopy.DataProviders;
-
-namespace ChemSharp.Spectroscopy;
-
-public static class SpectrumFactory
-{
-	/// <summary>
-	///     Contains a file extension - type relationship
-	/// </summary>
-	public static readonly Dictionary<string, Type> DataProviderDictionary = new();
-
-	/// <summary>
-	///     Import supported types for auto creation
-	/// </summary>
-	static SpectrumFactory()
-	{
-		DataProviderDictionary.Add("par", typeof(BrukerEPRProvider));
-		DataProviderDictionary.Add("spc", typeof(BrukerEPRProvider));
-		DataProviderDictionary.Add("dsw", typeof(VarianUVVisProvider));
-		DataProviderDictionary.Add("fid", typeof(BrukerNMRProvider));
-		DataProviderDictionary.Add("1r", typeof(BrukerNMRProvider));
-		DataProviderDictionary.Add("1i", typeof(BrukerNMRProvider));
-		DataProviderDictionary.Add("acqus", typeof(BrukerNMRProvider));
-		DataProviderDictionary.Add("procs", typeof(BrukerNMRProvider));
-	}
-
-	/// <summary>
-	///     Creates a Spectrum object with auto type detection
-	/// </summary>
-	/// <param name="path"></param>
-	/// <returns></returns>
-	public static Spectrum Create(string path) => new((IXYDataProvider)CreateProvider(path));
-
-	/// <summary>
-	///     Handles IDataProvider creation
-	/// </summary>
-	/// <param name="path"></param>
-	/// <returns></returns>
-	public static AbstractDataProvider CreateProvider(string path) =>
-		FileHandler.CreateProvider<AbstractXYDataProvider>(path, DataProviderDictionary);
-}
diff --git a/ChemSharp.sln b/ChemSharp.sln
index 08c03d7..fc64517 100644
--- a/ChemSharp.sln
+++ b/ChemSharp.sln
@@ -36,6 +36,8 @@ Project("{FAE04EC0-301F-11D3-BF4B-00C04F79EFBC}") = "ChemSharp.Molecules.Generat
 EndProject
 Project("{FAE04EC0-301F-11D3-BF4B-00C04F79EFBC}") = "ChemSharp.UnitConversion.Tests", "Tests\ChemSharp.UnitConversion.Tests\ChemSharp.UnitConversion.Tests.csproj", "{A697847B-6A2E-47C7-852A-B48623E4916F}"
 EndProject
+Project("{FAE04EC0-301F-11D3-BF4B-00C04F79EFBC}") = "ChemSharp.Spectroscopy.Tests", "Tests\ChemSharp.Spectroscopy.Tests\ChemSharp.Spectroscopy.Tests.csproj", "{C1753475-B3A0-4B5D-AC3F-67D7D63E7BC6}"
+EndProject
 Global
 	GlobalSection(SolutionConfigurationPlatforms) = preSolution
 		Debug|Any CPU = Debug|Any CPU
@@ -86,6 +88,10 @@ Global
 		{A697847B-6A2E-47C7-852A-B48623E4916F}.Debug|Any CPU.Build.0 = Debug|Any CPU
 		{A697847B-6A2E-47C7-852A-B48623E4916F}.Release|Any CPU.ActiveCfg = Release|Any CPU
 		{A697847B-6A2E-47C7-852A-B48623E4916F}.Release|Any CPU.Build.0 = Release|Any CPU
+		{C1753475-B3A0-4B5D-AC3F-67D7D63E7BC6}.Debug|Any CPU.ActiveCfg = Debug|Any CPU
+		{C1753475-B3A0-4B5D-AC3F-67D7D63E7BC6}.Debug|Any CPU.Build.0 = Debug|Any CPU
+		{C1753475-B3A0-4B5D-AC3F-67D7D63E7BC6}.Release|Any CPU.ActiveCfg = Release|Any CPU
+		{C1753475-B3A0-4B5D-AC3F-67D7D63E7BC6}.Release|Any CPU.Build.0 = Release|Any CPU
 	EndGlobalSection
 	GlobalSection(SolutionProperties) = preSolution
 		HideSolutionNode = FALSE
@@ -96,6 +102,7 @@ Global
 		{9E0CBAF5-47D3-4E5C-A5C6-2B72D4AFFAC1} = {20F5697B-9414-4F33-88DA-9D84D9983B40}
 		{8B774CDC-ECFE-44FF-9EEC-D071D3CD0063} = {CA4A529D-2EE9-4196-B069-328706EDE088}
 		{A697847B-6A2E-47C7-852A-B48623E4916F} = {20F5697B-9414-4F33-88DA-9D84D9983B40}
+		{C1753475-B3A0-4B5D-AC3F-67D7D63E7BC6} = {20F5697B-9414-4F33-88DA-9D84D9983B40}
 	EndGlobalSection
 	GlobalSection(ExtensibilityGlobals) = postSolution
 		SolutionGuid = {3C226C1E-BECB-41C3-BB05-E624764E4793}
diff --git a/ChemSharp/ChemSharp.csproj b/ChemSharp/ChemSharp.csproj
index 82b9288..53bcebc 100644
--- a/ChemSharp/ChemSharp.csproj
+++ b/ChemSharp/ChemSharp.csproj
@@ -18,6 +18,10 @@
     <PackageReference Include="Contrib.Bcl.Ranges" Version="1.0.0"/>
   </ItemGroup>
 
+  <ItemGroup Condition="'$(TargetFramework)' == 'netstandard2.0' OR  '$(TargetFramework)' == 'netstandard2.1'">
+    <PackageReference Include="PolySharp" Version="1.12.1"/>
+  </ItemGroup>
+
   <ItemGroup>
     <EmbeddedResource Include="Resources\colorData.txt"/>
     <EmbeddedResource Include="Resources\elements.json"/>
diff --git a/ChemSharp/DataProviders/AbstractDataProvider.cs b/ChemSharp/DataProviders/AbstractDataProvider.cs
deleted file mode 100644
index 03e19ea..0000000
--- a/ChemSharp/DataProviders/AbstractDataProvider.cs
+++ /dev/null
@@ -1,8 +0,0 @@
-namespace ChemSharp.DataProviders;
-
-public abstract class AbstractDataProvider
-{
-	protected AbstractDataProvider(string path) => Path = path;
-
-	public string Path { get; set; }
-}
diff --git a/ChemSharp/DataProviders/AbstractXYDataProvider.cs b/ChemSharp/DataProviders/AbstractXYDataProvider.cs
deleted file mode 100644
index d002350..0000000
--- a/ChemSharp/DataProviders/AbstractXYDataProvider.cs
+++ /dev/null
@@ -1,7 +0,0 @@
-namespace ChemSharp.DataProviders;
-
-public abstract class AbstractXYDataProvider : AbstractDataProvider, IXYDataProvider
-{
-	protected AbstractXYDataProvider(string path) : base(path) { }
-	public DataPoint[] XYData { get; set; }
-}
diff --git a/ChemSharp/DataProviders/IParameterProvider.cs b/ChemSharp/DataProviders/IParameterProvider.cs
deleted file mode 100644
index 0549e34..0000000
--- a/ChemSharp/DataProviders/IParameterProvider.cs
+++ /dev/null
@@ -1,19 +0,0 @@
-namespace ChemSharp.DataProviders;
-
-/// <summary>
-///     Provides access to parameter dictionary from Parameter files
-/// </summary>
-public interface IParameterProvider
-{
-	/// <summary>
-	///     Storage Dictionary from ParameterFile
-	/// </summary>
-	IDictionary<string, string> Storage { get; set; }
-
-	/// <summary>
-	///     Indexer
-	/// </summary>
-	/// <param name="index"></param>
-	/// <returns></returns>
-	public string this[string index] { get; }
-}
diff --git a/ChemSharp/DataProviders/IXYDataProvider.cs b/ChemSharp/DataProviders/IXYDataProvider.cs
deleted file mode 100644
index 5acbaf7..0000000
--- a/ChemSharp/DataProviders/IXYDataProvider.cs
+++ /dev/null
@@ -1,17 +0,0 @@
-namespace ChemSharp.DataProviders;
-
-/// <summary>
-///     Provides XYData
-/// </summary>
-public interface IXYDataProvider
-{
-	/// <summary>
-	///     DataPoints to use in Spectrum
-	/// </summary>
-	DataPoint[] XYData { get; set; }
-
-	/// <summary>
-	///     Path to provide data from
-	/// </summary>
-	string Path { get; set; }
-}
diff --git a/ChemSharp/Extensions/FileUtil.cs b/ChemSharp/Extensions/FileUtil.cs
new file mode 100644
index 0000000..dc8f6db
--- /dev/null
+++ b/ChemSharp/Extensions/FileUtil.cs
@@ -0,0 +1,17 @@
+namespace ChemSharp.Extensions;
+
+public static class FileUtil
+{
+	/// <summary>
+	///     Get Extension as string
+	/// </summary>
+	/// <param name="path"></param>
+	/// <returns></returns>
+	public static string GetExtension(string path)
+	{
+		var ext = Path.GetExtension(path);
+		//fallback for nmr files
+		ext = string.IsNullOrEmpty(ext) ? Path.GetFileName(path) : ext.Remove(0, 1);
+		return ext.ToLower();
+	}
+}
diff --git a/ChemSharp/Extensions/TypeUtil.cs b/ChemSharp/Extensions/TypeUtil.cs
deleted file mode 100644
index 0544f5d..0000000
--- a/ChemSharp/Extensions/TypeUtil.cs
+++ /dev/null
@@ -1,27 +0,0 @@
-namespace ChemSharp.Extensions;
-
-public static class TypeUtil
-{
-	private static readonly HashSet<Type> NumericTypes = new()
-	{
-		typeof(decimal),
-		typeof(int),
-		typeof(byte),
-		typeof(sbyte),
-		typeof(short),
-		typeof(ushort),
-		typeof(uint),
-		typeof(ulong),
-		typeof(long),
-		typeof(float),
-		typeof(double)
-	};
-
-	/// <summary>
-	///     Checks if given type is numeric
-	/// </summary>
-	/// <param name="t"></param>
-	/// <returns></returns>
-	public static bool IsNumeric(this Type t) =>
-		NumericTypes.Contains(t) || NumericTypes.Contains(Nullable.GetUnderlyingType(t));
-}
diff --git a/ChemSharp/Files/FileHandler.cs b/ChemSharp/Files/FileHandler.cs
deleted file mode 100644
index fb96170..0000000
--- a/ChemSharp/Files/FileHandler.cs
+++ /dev/null
@@ -1,78 +0,0 @@
-using System.Linq.Expressions;
-
-namespace ChemSharp.Files;
-
-public static class FileHandler
-{
-	/// <summary>
-	///     Stores file handle recipes
-	/// </summary>
-	public static readonly Dictionary<string, Func<string, IFile>> RecipeDictionary = new();
-
-	/// <summary>
-	///     Handles file by given path
-	/// </summary>
-	/// <param name="filename"></param>
-	/// <exception cref="FileLoadException"></exception>
-	/// <exception cref="NotSupportedException"></exception>
-	/// <exception cref="FileNotFoundException"></exception>
-	/// <returns></returns>
-	public static IFile Handle(string filename)
-	{
-		if (!File.Exists(filename))
-			throw new FileNotFoundException($"The specified file {filename} could not be found");
-
-		var ext = Path.GetExtension(filename);
-		//fallback for nmr files
-		ext = string.IsNullOrEmpty(ext) ? Path.GetFileName(filename) : ext.Remove(0, 1);
-		ext = ext.ToLower();
-		if (!RecipeDictionary.ContainsKey(ext))
-			throw new NotSupportedException("This file type is not supported, did you add your recipe?");
-
-		var file = RecipeDictionary[ext](filename);
-		if (file is null) throw new FileLoadException("Could not load file");
-
-		//read any data
-		file.ReadFile();
-
-		return file;
-	}
-
-	/// <summary>
-	///     Get Extension as string
-	/// </summary>
-	/// <param name="path"></param>
-	/// <returns></returns>
-	public static string GetExtension(string path)
-	{
-		var ext = Path.GetExtension(path);
-		//fallback for nmr files
-		ext = string.IsNullOrEmpty(ext) ? Path.GetFileName(path) : ext.Remove(0, 1);
-		return ext.ToLower();
-	}
-
-	/// <summary>
-	///     Handles IDataProvider creation
-	/// </summary>
-	/// <param name="path"></param>
-	/// <param name="dataProviderDictionary"></param>
-	/// <returns></returns>
-	public static T CreateProvider<T>(string path, Dictionary<string, Type> dataProviderDictionary)
-	{
-		var ext = GetExtension(path);
-		//check if ext is supported
-		if (!dataProviderDictionary.ContainsKey(ext)) throw new FileLoadException($"File type {ext} is not supported");
-
-		var type = dataProviderDictionary[ext];
-		var param = Expression.Parameter(typeof(string), "path");
-		var creator = Expression
-		              .Lambda<Func<string, T>>(
-		                                       Expression.New(
-		                                                      type.GetConstructor(new[] {typeof(string)}) ??
-		                                                      throw new
-			                                                      InvalidOperationException("null given, Extension Handling failed"),
-		                                                      param), param)
-		              .Compile();
-		return creator(path);
-	}
-}
diff --git a/ChemSharp/Files/IFile.cs b/ChemSharp/Files/IFile.cs
deleted file mode 100644
index 92377ec..0000000
--- a/ChemSharp/Files/IFile.cs
+++ /dev/null
@@ -1,14 +0,0 @@
-namespace ChemSharp.Files;
-
-public interface IFile
-{
-	/// <summary>
-	///     Filepath of current file
-	/// </summary>
-	string Path { get; set; }
-
-	/// <summary>
-	///     Reads file content and saves it.
-	/// </summary>
-	void ReadFile();
-}
diff --git a/ChemSharp/Files/ParameterFile.cs b/ChemSharp/Files/ParameterFile.cs
deleted file mode 100644
index 2541176..0000000
--- a/ChemSharp/Files/ParameterFile.cs
+++ /dev/null
@@ -1,38 +0,0 @@
-namespace ChemSharp.Files;
-
-/// <summary>
-///     Parameter Files are files using a key value storage to store data like the .par or jcamp files
-/// </summary>
-public class ParameterFile : PlainFile<string>
-{
-	public char Delimiter;
-
-	/// <summary>
-	///     <inheritdoc cref="PlainFile{T}(string)" />
-	/// </summary>
-	/// <param name="path"></param>
-	/// <param name="delimiter"></param>
-	public ParameterFile(string path, char delimiter) : base(path) => Delimiter = delimiter;
-
-	/// <summary>
-	///     <inheritdoc cref="PlainFile{T}()" />
-	/// </summary>
-	/// <param name="delimiter"></param>
-	public ParameterFile(char delimiter) => Delimiter = delimiter;
-
-	public IDictionary<string, string> Storage { get; set; }
-
-	protected override void ContentChanged()
-	{
-		base.ContentChanged();
-		Storage = ReadStorage().ToDictionary(s => s.Key, s => s.Value);
-	}
-
-	private IEnumerable<KeyValuePair<string, string>> ReadStorage() =>
-		from line in Content
-		select line.Split(new[] {Delimiter}, 2, StringSplitOptions.RemoveEmptyEntries)
-		into raw
-		where raw.Length == 2
-		select new KeyValuePair<string, string>(raw[0].Trim(),
-		                                        raw[1].Trim());
-}
diff --git a/ChemSharp/Files/PlainFile.cs b/ChemSharp/Files/PlainFile.cs
deleted file mode 100644
index fc09543..0000000
--- a/ChemSharp/Files/PlainFile.cs
+++ /dev/null
@@ -1,112 +0,0 @@
-using System.Runtime.InteropServices;
-using System.Text;
-using ChemSharp.Extensions;
-
-namespace ChemSharp.Files;
-
-/// <summary>
-///     Note: T can be either numeric or string!
-/// </summary>
-/// <typeparam name="T"></typeparam>
-public class PlainFile<T> : IFile where T : IComparable, IConvertible, IComparable<T>, IEquatable<T>
-{
-	private T[] _content;
-	private string _path;
-
-	/// <summary>
-	///     You can specify a EntryByte for binary files
-	/// </summary>
-	public int ByteOffset = 0x0;
-
-	/// <summary>
-	///     Length of Byte Data ca be specified
-	/// </summary>
-	public int CutOffLength = 0;
-
-	/// <summary>
-	///     ctor with path
-	/// </summary>
-	/// <param name="path"></param>
-	public PlainFile(string path) : this() => Path = path;
-
-	/// <summary>
-	///     ctor without arguments
-	/// </summary>
-	public PlainFile() { }
-
-	/// <summary>
-	///     The File's RAW content
-	/// </summary>
-	public T[] Content
-	{
-		get => _content;
-		set
-		{
-			_content = value;
-			ContentChanged();
-		}
-	}
-
-	/// <summary>
-	///     File content as Bytearray
-	/// </summary>
-	public byte[] Bytes { get; private set; }
-
-	/// <summary>
-	///     <inheritdoc cref="IFile.Path" />
-	/// </summary>
-	public string Path
-	{
-		get => _path;
-		set
-		{
-			_path = value;
-			ReadBytes();
-		}
-	}
-
-	/// <summary>
-	///     Reads the file's content
-	/// </summary>
-	/// <exception cref="FileLoadException"></exception>
-	/// <exception cref="NotSupportedException"></exception>
-	public void ReadFile()
-	{
-		if (Bytes is null) ReadBytes();
-
-		if (Bytes.Length == 0) throw new FileLoadException($@"Could not load File {Path}");
-
-		if (typeof(T).IsNumeric())
-		{
-			if (ByteOffset != 0)
-				Bytes = new ArraySegment<byte>(Bytes, ByteOffset,
-				                               CutOffLength != 0
-					                               ? CutOffLength
-					                               : Bytes.Length - ByteOffset).ToArray();
-
-			Content = new T[Bytes.Length / Marshal.SizeOf<T>()];
-			Buffer.BlockCopy(Bytes, 0, Content, 0, Bytes.Length);
-		}
-		//we checked Type before, so it's ok to cast like this!
-		else if (typeof(T) == typeof(string))
-			Content = Encoding.UTF8.GetString(Bytes).DefaultSplit() as T[];
-		else
-			throw new NotSupportedException($"The given Type {typeof(T).FullName} is not supported");
-	}
-
-	/// <summary>
-	///     Reads file as bytes, used to read in file at path change
-	/// </summary>
-	/// <exception cref="FileNotFoundException"></exception>
-	internal void ReadBytes()
-	{
-		if (!File.Exists(Path)) throw new FileNotFoundException($"The specified File {Path} could not be found!");
-
-		Bytes = File.ReadAllBytes(Path);
-	}
-
-	/// <summary>
-	///     Fires when content changes
-	/// </summary>
-	protected virtual void ContentChanged() { }
-}
diff --git a/ChemSharp/IDataObject.cs b/ChemSharp/IDataObject.cs
deleted file mode 100644
index 30d01cf..0000000
--- a/ChemSharp/IDataObject.cs
+++ /dev/null
@@ -1,11 +0,0 @@
-using ChemSharp.DataProviders;
-
-namespace ChemSharp;
-
-/// <summary>
-///     Marks an Object that has data
-/// </summary>
-public interface IDataObject
-{
-	IXYDataProvider DataProvider { get; }
-}
diff --git a/ChemSharp/Memory/MemoryExtensions.cs b/ChemSharp/Memory/MemoryExtensions.cs
index 8cdbe22..ce6e34e 100644
--- a/ChemSharp/Memory/MemoryExtensions.cs
+++ b/ChemSharp/Memory/MemoryExtensions.cs
@@ -6,12 +6,15 @@ namespace ChemSharp.Memory;
 public static class MemoryExtensions
 {
 	public static Span<(int start, int length)> WhiteSpaceSplit(this ReadOnlySpan<char> input)
+		=> Split(input, " \t".AsSpan());
+
+	public static Span<(int start, int length)> Split(this ReadOnlySpan<char> input, ReadOnlySpan<char> delimiters)
 	{
 		if (input.Length == 0) return Span<(int start, int length)>.Empty;
 		var array = ArrayPool<(int, int)>.Shared.Rent(input.Length);
-		Array.Clear(array, 0, input.Length); //zero array
+		Array.Clear(array, 0, input.Length);
 		var i = 0;
-		foreach (var (start, length) in new SpanSplitEnumerator(input, " \t".AsSpan()))
+		foreach (var (start, length) in new SpanSplitEnumerator(input, delimiters))
 		{
 			array[i] = (start, length);
 			i++;
diff --git a/Directory.Build.props b/Directory.Build.props
index 89f5d6b..18a7c93 100644
--- a/Directory.Build.props
+++ b/Directory.Build.props
@@ -1,7 +1,7 @@
 <Project>
   <PropertyGroup>
     <LangVersion>preview</LangVersion>
-    <Version>2.0.0-beta.1</Version>
+    <Version>2.0.0</Version>
     <Authors>Jens Krumsieck</Authors>
     <Copyright>Jens Krumsieck</Copyright>
     <PackageProjectUrl>https://github.com/JensKrumsieck/ChemSharp</PackageProjectUrl>
@@ -13,6 +13,7 @@
     <PackageReadmeFile>README.md</PackageReadmeFile>
     <ImplicitUsings>enable</ImplicitUsings>
     <nullable>enable</nullable>
+    <LangVersion>11.0</LangVersion>
   </PropertyGroup>
 
   <ItemGroup>
diff --git a/Generators/ChemSharp.Molecules.Generator/MoleculeCreateGenerator.cs b/Generators/ChemSharp.Molecules.Generator/MoleculeCreateGenerator.cs
index 96da573..4946407 100644
--- a/Generators/ChemSharp.Molecules.Generator/MoleculeCreateGenerator.cs
+++ b/Generators/ChemSharp.Molecules.Generator/MoleculeCreateGenerator.cs
@@ -14,7 +14,7 @@ public void Execute(GeneratorExecutionContext context)
 		var formats = context.GetClassesImplementing("IAtomFileFormat").ToList();
 		var sb = new StringBuilder(@"
 		using System.IO;
-		using ChemSharp.Files;
+		using ChemSharp.Extensions;
 		using ChemSharp.Molecules.Formats;
 
 		namespace ChemSharp.Molecules{
@@ -32,13 +32,13 @@ public static Molecule FromStream(Stream stream, string ext){
 							return mol;
 				}
 
-				private static Molecule? ReadFile(string path) => FileHandler.GetExtension(path) switch
+				private static Molecule? ReadFile(string path) => FileUtil.GetExtension(path) switch
 				{
 		");
 		foreach (var format in formats)
 		{
 			var ext = format.Identifier.ValueText.Split(new[] {"Format"}, StringSplitOptions.RemoveEmptyEntries)[0]
-				.ToLower();
+			                .ToLower();
 			sb.AppendLine($@"""{ext}"" => {format.Identifier.ValueText}.Read(path),");
 		}
 
@@ -52,7 +52,7 @@ public static Molecule FromStream(Stream stream, string ext){
 		foreach (var format in formats)
 		{
 			var ext = format.Identifier.ValueText.Split(new[] {"Format"}, StringSplitOptions.RemoveEmptyEntries)[0]
-				.ToLower();
+			                .ToLower();
 			sb.AppendLine($@"""{ext}"" => {format.Identifier.ValueText}.ReadFromStream(stream),");
 		}
 
diff --git a/README.md b/README.md
index 0810788..6ca3674 100644
--- a/README.md
+++ b/README.md
@@ -15,7 +15,6 @@
 
 ### NuGet Packages
 
-=======
 | | |
 |-|-|
 | `ChemSharp` | [![NuGet Badge](https://buildstats.info/nuget/ChemSharp)](https://www.nuget.org/packages/ChemSharp/) |
@@ -42,65 +41,24 @@
 #### Create Molecules
 
 Molecules can be created in a lot of ways. The easiest way is to use MoleculeFactory.Create, which accepts a string
-path. Depending on the File extension the correct DataProvider is used to load the file.
+path.
 
 ```csharp
 //Creates a molecule from cif file
 const string path = "files/cif.cif";
-var mol = MoleculeFactory.Create(path);
-```
-
-It is also possible to create a Molecule by using a specific DataProvider (e.g. if automatic detection fails or you only
-want to support a selected number of file types)
-
-```csharp
-//You can also create molecules by selecting the provider yourself
-const string path = "files/benzene.mol2";
-var provider = new Mol2DataProvider(path);
-var mol = new Molecule(provider);
-```
-
-You can also add [Atoms and Bonds](https://github.com/JensKrumsieck/ChemSharp/wiki/Element-Atom-Bond) as Lists if you
-got the data from somewhere else.
-
-```csharp
-//...or by just adding the Atoms & Bonds as Lists
-const string path = "files/cif.cif";
-var provider = new CIFDataProvider(path);
-var mol = new Molecule(provider.Atoms, provider.Bonds);
+var mol = Molecule.FromFile(path);
 ```
 
 #### Create Spectra
 
-Spectra can be created in a lot of ways. The easiest way is to use `SpectrumFactory.Create`, which accepts
-a `string path`. Depending on the File extension the correct DataProvider is used to load the file.
+Spectra can be created by using the Spectrum.FromFile Method.
 
 ```csharp
 //Creates an UV/Vis Spectrum
 const string path = "files/uvvis.dsw";
-var uvvis = SpectrumFactory.Create(path);
-```
-
-It is also possible to create a Spectrum by using a specific DataProvider (e.g. if automatic detection fails or you only
-want to support a selected number of file types)
-
-```csharp
-//You can also create spectra by choosing the provider 
-//explicitly. e.g. csv files
-//Reads in an CSV Spectrum (first data only)
-const string path = "files/uvvis.csv";
-var prov = new GenericCSVProvider(path);
-var uvvis = new Spectrum(prov);
+var uvvis = Spectrum.FromFile(path);
 ```
 
-There is also the MultiCSVProvider which can provide data from multiple XY pairs in a csv file
-
-```csharp
-//To read in all CSV Data stored as (X,Y) pairs use the MultiCSVProvider
-//Each Spectrum will be stored as DataPoint[] in MultiXYData
-const string file = "files/multicsv.csv";
-var provider = new MultiCSVProvider(file);
-```
 
 ### Supported Filetypes
 
@@ -121,9 +79,6 @@ var provider = new MultiCSVProvider(file);
 #### Compatibility
 
 * .NET Standard 2.0, .NET Standard 2.1, .NET 5, .NET 6
-* Unity (see [Wiki](https://github.com/JensKrumsieck/ChemSharp/wiki/Use-with-Unity)
-  <a href="https://github.com/JensKrumsieck/ChemSharp/wiki/Use-with-Unity"><img src="https://img.shields.io/badge/Unity-100000?logo=unity&logoColor=white"/></a>)
-* Godot Engine (see [Wiki](https://github.com/JensKrumsieck/ChemSharp/wiki/Use-with-Godot-Engine) for Snippet)
 * Blazor (see ChemSharp.Molecules.Blazor)
 * <a href="https://github.com/JensKrumsieck/ChemSharp/wiki/Use-with-HelixToolkit-(WPF)">HelixToolkit</a> via
   ChemSharp.Molecules.HelixToolkit
@@ -131,7 +86,6 @@ var provider = new MultiCSVProvider(file);
 ### Used by (Highlights):
 
 *  <img src="https://github.com/JensKrumsieck/PorphyStruct/blob/master/PorphyStruct.WPF/Resources/porphystruct.png" alt="logo" height="16"/>  **[PorphyStruct](https://github.com/JensKrumsieck/PorphyStruct)**
-* <img src="https://raw.githubusercontent.com/JensKrumsieck/SPCViewer/master/.github/spc.png" alt="logo" height="16"/>  **[SPCViewer](https://github.com/JensKrumsieck/SPCViewer)**
 * <img src="https://raw.githubusercontent.com/JensKrumsieck/CHN-Tool/master/.github/chn.png" alt="logo" height="16"/>  **[CHN-Tool](https://github.com/JensKrumsieck/CHN-Tool)**
 
 ### Stats
diff --git a/Tests/ChemSharp.Molecules.Tests/Formats/MoleculeFileFormatTests.cs b/Tests/ChemSharp.Molecules.Tests/Formats/MoleculeFileFormatTests.cs
index 57b338b..f2c95fa 100644
--- a/Tests/ChemSharp.Molecules.Tests/Formats/MoleculeFileFormatTests.cs
+++ b/Tests/ChemSharp.Molecules.Tests/Formats/MoleculeFileFormatTests.cs
@@ -1,4 +1,4 @@
-using ChemSharp.Files;
+using ChemSharp.Extensions;
 using FluentAssertions;
 using Xunit;
 
@@ -49,7 +49,7 @@ public void Molecule_FromFile_ShouldBeValid(string filename, int atoms, int bond
 	public void Molecule_FromStream_ShouldBeValid(string filename, int atoms, int bonds)
 	{
 		var stream = File.Open(filename, FileMode.Open);
-		var ext = FileHandler.GetExtension(filename);
+		var ext = FileUtil.GetExtension(filename);
 		var mol = Molecule.FromStream(stream, ext);
 		mol.Atoms.Count.Should().Be(atoms);
 		mol.Bonds.Count.Should().Be(bonds);
diff --git a/Tests/ChemSharp.Spectroscopy.Tests/ChemSharp.Spectroscopy.Tests.csproj b/Tests/ChemSharp.Spectroscopy.Tests/ChemSharp.Spectroscopy.Tests.csproj
new file mode 100644
index 0000000..8939e32
--- /dev/null
+++ b/Tests/ChemSharp.Spectroscopy.Tests/ChemSharp.Spectroscopy.Tests.csproj
@@ -0,0 +1,35 @@
+<Project Sdk="Microsoft.NET.Sdk">
+
+  <PropertyGroup>
+    <TargetFrameworks>net7.0;net6.0;net5.0;netcoreapp3.1</TargetFrameworks>
+    <ImplicitUsings>enable</ImplicitUsings>
+    <Nullable>enable</Nullable>
+
+    <IsPackable>false</IsPackable>
+  </PropertyGroup>
+
+  <ItemGroup>
+    <PackageReference Include="FluentAssertions" Version="6.8.0"/>
+    <PackageReference Include="Microsoft.NET.Test.Sdk" Version="17.3.2"/>
+    <PackageReference Include="xunit" Version="2.4.2"/>
+    <PackageReference Include="xunit.runner.visualstudio" Version="2.4.5">
+      <IncludeAssets>runtime; build; native; contentfiles; analyzers; buildtransitive</IncludeAssets>
+      <PrivateAssets>all</PrivateAssets>
+    </PackageReference>
+    <PackageReference Include="coverlet.collector" Version="3.1.2">
+      <IncludeAssets>runtime; build; native; contentfiles; analyzers; buildtransitive</IncludeAssets>
+      <PrivateAssets>all</PrivateAssets>
+    </PackageReference>
+  </ItemGroup>
+
+  <ItemGroup>
+    <ProjectReference Include="..\..\ChemSharp.Spectroscopy\ChemSharp.Spectroscopy.csproj"/>
+  </ItemGroup>
+
+  <ItemGroup>
+    <None Update="files\**\*.*">
+      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
+    </None>
+  </ItemGroup>
+
+</Project>
diff --git a/Tests/ChemSharp.Spectroscopy.Tests/ReadSpectrumDataTests.cs b/Tests/ChemSharp.Spectroscopy.Tests/ReadSpectrumDataTests.cs
new file mode 100644
index 0000000..9709546
--- /dev/null
+++ b/Tests/ChemSharp.Spectroscopy.Tests/ReadSpectrumDataTests.cs
@@ -0,0 +1,62 @@
+using ChemSharp.Spectroscopy.Formats;
+using FluentAssertions;
+
+namespace ChemSharp.Spectroscopy.Tests;
+
+public class ReadSpectrumDataTests
+{
+	[Fact]
+	public void EPRSpectrum_IsRead_Plausible()
+	{
+		//plausible length
+		var spc = BrukerEPRFormat.Read("files/Spectrum6.par");
+		spc.XYData.Should().HaveCount(2048);
+		//see spectrum6.dat
+		spc.XYData[107].X.Should().BeApproximately(813.629699707031, 1e-5);
+		spc.XYData[107].Y.Should().BeApproximately(-4.63134765625, 1e-5);
+		//correlate with csv later
+	}
+
+	[Fact]
+	public void UVVisSpectrum_IsRead_Plausible()
+	{
+		var spc = VarianUVVisFormat.Read("files/uvvis.DSW");
+		spc.XYData.Should().HaveCount(901);
+		//read from csv
+		spc.XYData[32].X.Should().BeApproximately(1067.955688, 1e-5);
+		spc.XYData[32].Y.Should().BeApproximately(0.02218390256, 1e-5);
+		//correlate with csv later
+	}
+
+	[Fact]
+	public void NMRSpectrum_Is_Read_Plausible()
+	{
+		var spc = BrukerNMRFormat.Read("files/nmr/fid");
+		spc.XYData.Should().HaveCount(32768);
+	}
+
+	[Fact]
+	public void CSV_Is_Read_Plausible()
+	{
+		var spc = CSVFormat.Read("files/test_single.csv", ',');
+		spc.XYData.Should().HaveCount(901);
+	}
+
+	[Fact]
+	public void MultiCSV_Is_Read_Plausible()
+	{
+		var specs = CSVFormat.ReadAll("files/test_multiple.csv", ',');
+		specs.Should().HaveCount(3);
+		foreach (var spectrum in specs) spectrum.XYData.Should().HaveCount(901);
+	}
+
+	[Theory, InlineData("files/Spectrum6.par", 2048), InlineData("files/Spectrum6.spc", 2048),
+	 InlineData("files/uvvis.DSW", 901), InlineData("files/nmr/fid", 32768), InlineData("files/nmr/acqus", 32768),
+	 InlineData("files/nmr/pdata/1/1r", 32768), InlineData("files/nmr/pdata/1/1i", 32768),
+	 InlineData("files/nmr/pdata/1/procs", 32768), InlineData("files/test_single.csv", 901)]
+	public void Spectrum_CanDecide_Plausible(string file, int cnt)
+	{
+		var spc = Spectrum.FromFile(file);
+		spc.XYData.Should().HaveCount(cnt);
+	}
+}
diff --git a/Tests/ChemSharp.Spectroscopy.Tests/Usings.cs b/Tests/ChemSharp.Spectroscopy.Tests/Usings.cs
new file mode 100644
index 0000000..c802f44
--- /dev/null
+++ b/Tests/ChemSharp.Spectroscopy.Tests/Usings.cs
@@ -0,0 +1 @@
+global using Xunit;
diff --git a/Tests/ChemSharp.Spectroscopy.Tests/files/Spectrum6.dat b/Tests/ChemSharp.Spectroscopy.Tests/files/Spectrum6.dat
new file mode 100644
index 0000000..0f64ff3
--- /dev/null
+++ b/Tests/ChemSharp.Spectroscopy.Tests/files/Spectrum6.dat
@@ -0,0 +1,2049 @@
+B[G];g;Spectrum;Absorption;Derivative of Signal
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diff --git a/Tests/ChemSharp.Spectroscopy.Tests/files/Spectrum6.par b/Tests/ChemSharp.Spectroscopy.Tests/files/Spectrum6.par
new file mode 100644
index 0000000..6b6273b
--- /dev/null
+++ b/Tests/ChemSharp.Spectroscopy.Tests/files/Spectrum6.par
@@ -0,0 +1 @@
+DOS  Format
ANZ 2048
MIN -9.631348
MAX 121.368652
JSS 0
GST 500.000000
GSI 6000.000000
JUN G
JON Bruker BioSpin GmbH
JDA 18.May.2017
JTM 13:18
JRE c:\program files\bruker emx research\syscal\st9722.cal
JEX field-sweep
RES 2048
JSD 1
HCF 3500.000000
HSW 6000.000000
EMF 500.000000
RTC 5.120000
RRG 6.324555e+003
RMA 1.000000
MF  9.457457
MP  1.263e+001
\ No newline at end of file
diff --git a/Tests/ChemSharp.Spectroscopy.Tests/files/Spectrum6.spc b/Tests/ChemSharp.Spectroscopy.Tests/files/Spectrum6.spc
new file mode 100644
index 0000000..4c34b54
Binary files /dev/null and b/Tests/ChemSharp.Spectroscopy.Tests/files/Spectrum6.spc differ
diff --git a/Tests/ChemSharp.Tests/files/nmr/acqu b/Tests/ChemSharp.Spectroscopy.Tests/files/nmr/acqu
similarity index 100%
rename from Tests/ChemSharp.Tests/files/nmr/acqu
rename to Tests/ChemSharp.Spectroscopy.Tests/files/nmr/acqu
diff --git a/Tests/ChemSharp.Tests/files/nmr/acqus b/Tests/ChemSharp.Spectroscopy.Tests/files/nmr/acqus
similarity index 100%
rename from Tests/ChemSharp.Tests/files/nmr/acqus
rename to Tests/ChemSharp.Spectroscopy.Tests/files/nmr/acqus
diff --git a/Tests/ChemSharp.Tests/files/nmr/fid b/Tests/ChemSharp.Spectroscopy.Tests/files/nmr/fid
similarity index 100%
rename from Tests/ChemSharp.Tests/files/nmr/fid
rename to Tests/ChemSharp.Spectroscopy.Tests/files/nmr/fid
diff --git a/Tests/ChemSharp.Tests/files/nmr/pdata/1/1i b/Tests/ChemSharp.Spectroscopy.Tests/files/nmr/pdata/1/1i
similarity index 100%
rename from Tests/ChemSharp.Tests/files/nmr/pdata/1/1i
rename to Tests/ChemSharp.Spectroscopy.Tests/files/nmr/pdata/1/1i
diff --git a/Tests/ChemSharp.Tests/files/nmr/pdata/1/1r b/Tests/ChemSharp.Spectroscopy.Tests/files/nmr/pdata/1/1r
similarity index 100%
rename from Tests/ChemSharp.Tests/files/nmr/pdata/1/1r
rename to Tests/ChemSharp.Spectroscopy.Tests/files/nmr/pdata/1/1r
diff --git a/Tests/ChemSharp.Tests/files/nmr/pdata/1/proc b/Tests/ChemSharp.Spectroscopy.Tests/files/nmr/pdata/1/proc
similarity index 100%
rename from Tests/ChemSharp.Tests/files/nmr/pdata/1/proc
rename to Tests/ChemSharp.Spectroscopy.Tests/files/nmr/pdata/1/proc
diff --git a/Tests/ChemSharp.Tests/files/nmr/pdata/1/procs b/Tests/ChemSharp.Spectroscopy.Tests/files/nmr/pdata/1/procs
similarity index 100%
rename from Tests/ChemSharp.Tests/files/nmr/pdata/1/procs
rename to Tests/ChemSharp.Spectroscopy.Tests/files/nmr/pdata/1/procs
diff --git a/Tests/ChemSharp.Spectroscopy.Tests/files/test_multiple.csv b/Tests/ChemSharp.Spectroscopy.Tests/files/test_multiple.csv
new file mode 100644
index 0000000..a73ca77
--- /dev/null
+++ b/Tests/ChemSharp.Spectroscopy.Tests/files/test_multiple.csv
@@ -0,0 +1,904 @@
+Neuer Abranzer old aceton_1,,Neuer Abranzer old aceton_2,,Neuer Abranzer old aceton_3,,
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diff --git a/Tests/ChemSharp.Spectroscopy.Tests/files/test_single.csv b/Tests/ChemSharp.Spectroscopy.Tests/files/test_single.csv
new file mode 100644
index 0000000..26ba23c
--- /dev/null
+++ b/Tests/ChemSharp.Spectroscopy.Tests/files/test_single.csv
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diff --git a/Tests/ChemSharp.Spectroscopy.Tests/files/uvvis.DSW b/Tests/ChemSharp.Spectroscopy.Tests/files/uvvis.DSW
new file mode 100644
index 0000000..3a12d64
Binary files /dev/null and b/Tests/ChemSharp.Spectroscopy.Tests/files/uvvis.DSW differ
diff --git a/Tests/ChemSharp.Tests/ChemSharp.Tests.csproj b/Tests/ChemSharp.Tests/ChemSharp.Tests.csproj
deleted file mode 100644
index fca7938..0000000
--- a/Tests/ChemSharp.Tests/ChemSharp.Tests.csproj
+++ /dev/null
@@ -1,117 +0,0 @@
-<Project Sdk="Microsoft.NET.Sdk">
-
-  <PropertyGroup>
-    <TargetFrameworks>net5.0;net472;netcoreapp3.1;net6.0</TargetFrameworks>
-  </PropertyGroup>
-  <ItemGroup>
-    <PackageReference Include="Microsoft.NET.Test.Sdk" Version="17.0.0"/>
-    <PackageReference Include="MSTest.TestAdapter" Version="2.2.8"/>
-    <PackageReference Include="MSTest.TestFramework" Version="2.2.8"/>
-    <PackageReference Include="coverlet.collector" Version="3.1.1">
-      <PrivateAssets>all</PrivateAssets>
-      <IncludeAssets>runtime; build; native; contentfiles; analyzers; buildtransitive</IncludeAssets>
-    </PackageReference>
-    <PackageReference Include="System.Linq.Async" Version="5.1.0"/>
-  </ItemGroup>
-
-  <ItemGroup>
-    <ProjectReference Include="..\..\ChemSharp.Molecules\ChemSharp.Molecules.csproj"/>
-    <ProjectReference Include="..\..\ChemSharp.Spectroscopy\ChemSharp.Spectroscopy.csproj"/>
-    <ProjectReference Include="..\..\ChemSharp\ChemSharp.csproj"/>
-    <ProjectReference Include="..\..\ChemSharp.UnitConversion\ChemSharp.UnitConversion.csproj"/>
-  </ItemGroup>
-
-  <ItemGroup>
-    <None Update="files\1hv4.pdb">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\2spl.pdb">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\benzene.mol">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\benzene_3d.mol">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\benzene_arom.mol">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\cif_noTrim.cif">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\benzene.mol2">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\cif.cif">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\corrole.mol">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\epr.par">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\epr.spc">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\mescho.xyz">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\multicsv.csv">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\myo.mol2">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\nmr\acqu">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\nmr\acqus">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\nmr\fid">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\nmr\pdata\1\1i">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\nmr\pdata\1\1r">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\nmr\pdata\1\email_zam-170502-111227_ab_1_1.pdf">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\nmr\pdata\1\proc">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\nmr\pdata\1\procs">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\oriluy.pdb">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\porphin.cdxml">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\porphin.svg">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\ptcor.mol2">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\tep.mol">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\tep.mol2">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\uvvis.csv">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-    <None Update="files\uvvis.dsw">
-      <CopyToOutputDirectory>Always</CopyToOutputDirectory>
-    </None>
-  </ItemGroup>
-
-</Project>
diff --git a/Tests/ChemSharp.Tests/IO/FileHandlerTest.cs b/Tests/ChemSharp.Tests/IO/FileHandlerTest.cs
deleted file mode 100644
index e159105..0000000
--- a/Tests/ChemSharp.Tests/IO/FileHandlerTest.cs
+++ /dev/null
@@ -1,30 +0,0 @@
-using ChemSharp.Files;
-using Microsoft.VisualStudio.TestTools.UnitTesting;
-
-namespace ChemSharp.Tests.IO;
-
-[TestClass]
-public class FileHandlerTest
-{
-	[TestMethod]
-	public void TestEprFiles()
-	{
-		//not necessary if added by ProviderTest.cs
-		if (!FileHandler.RecipeDictionary.ContainsKey("par"))
-			FileHandler.RecipeDictionary.Add("par", s => new ParameterFile(s, ' '));
-
-		if (!FileHandler.RecipeDictionary.ContainsKey("spc"))
-			FileHandler.RecipeDictionary.Add("spc", s => new PlainFile<float>(s));
-
-		const string par = "files/epr.par";
-		var parFile = (ParameterFile)FileHandler.Handle(par);
-		Assert.AreEqual(par, parFile?.Path);
-
-		//this file has 23 lines
-		Assert.AreEqual(23, parFile?.Content.Length);
-
-		const string spc = "files/epr.spc";
-		var spcFile = (PlainFile<float>)FileHandler.Handle(spc);
-		Assert.AreEqual(2048, spcFile.Content.Length);
-	}
-}
diff --git a/Tests/ChemSharp.Tests/IO/FileTest.cs b/Tests/ChemSharp.Tests/IO/FileTest.cs
deleted file mode 100644
index c9213c9..0000000
--- a/Tests/ChemSharp.Tests/IO/FileTest.cs
+++ /dev/null
@@ -1,77 +0,0 @@
-using System;
-using ChemSharp.Files;
-using Microsoft.VisualStudio.TestTools.UnitTesting;
-
-namespace ChemSharp.Tests.IO;
-
-[TestClass]
-public class FileTest
-{
-	[TestMethod]
-	public void TestCSV()
-	{
-		const string csv = "files/uvvis.csv";
-		var csvFile = new PlainFile<string>(csv);
-		csvFile.ReadFile();
-		//901 data lines, headline + columns
-		Assert.AreEqual(903, csvFile.Content.Length);
-	}
-
-	[TestMethod]
-	public void TestSpcParFiles()
-	{
-		const string spc = "files/epr.spc";
-		var spcFile = new PlainFile<int>(spc);
-		spcFile.ReadFile();
-		Assert.AreEqual(2048, spcFile.Content.Length);
-
-		const string par = "files/epr.par";
-		var parFile = new ParameterFile(par, ' ');
-		parFile.ReadFile();
-
-		//this file has 23 lines
-		Assert.AreEqual(23, parFile.Content.Length);
-	}
-
-	[TestMethod]
-	public void TestDswFile()
-	{
-		const string path = "files/uvvis.dsw";
-		var file = new PlainFile<float>(path) {ByteOffset = 0x459};
-		const int dataLengthPtr = 0x6d;
-		file.CutOffLength = BitConverter.ToInt32(file.Bytes, dataLengthPtr) * 8;
-		file.ReadFile();
-
-		//901 * 2 as X and Y are both in Content
-		Assert.AreEqual(901 * 2, file.Content.Length);
-	}
-
-	[TestMethod]
-	public void TestAcqusFidFiles()
-	{
-		const string fid = "files/nmr/fid";
-		var fidFile = new PlainFile<float>(fid);
-		fidFile.ReadFile();
-
-		//lengths can be found in acqus: ##$TD=49152
-		Assert.AreEqual(49152, fidFile.Content.Length);
-
-		const string acqus = "files/nmr/acqus";
-		var acqusFile = new ParameterFile(acqus, '=');
-		acqusFile.ReadFile();
-
-		//this file has 328 lines with string.Empty removed, tested against File.ReadAllLines
-		Assert.AreEqual(328, acqusFile.Content.Length);
-	}
-
-	[TestMethod]
-	public void TestXYZ()
-	{
-		const string xyz = "files/mescho.xyz";
-		var xyzFile = new PlainFile<string>(xyz);
-		xyzFile.ReadFile();
-
-		//this file has 24 lines with string.Empty removed
-		Assert.AreEqual(24, xyzFile.Content.Length);
-	}
-}
diff --git a/Tests/ChemSharp.Tests/Misc/MathTests.cs b/Tests/ChemSharp.Tests/Misc/MathTests.cs
deleted file mode 100644
index 6ea0485..0000000
--- a/Tests/ChemSharp.Tests/Misc/MathTests.cs
+++ /dev/null
@@ -1,16 +0,0 @@
-using ChemSharp.Mathematics;
-using Microsoft.VisualStudio.TestTools.UnitTesting;
-
-namespace ChemSharp.Tests.Misc;
-
-[TestClass]
-public class MathTests
-{
-	[TestMethod]
-	public void TestL2Norm()
-	{
-		var vec = new[] {1.5d, 2d, 0.4d, 29d, 7.175d};
-		var nVec = vec.Normalize();
-		Assert.AreEqual(1, nVec.Length());
-	}
-}
diff --git a/Tests/ChemSharp.Tests/Molecules/BondTests.cs b/Tests/ChemSharp.Tests/Molecules/BondTests.cs
deleted file mode 100644
index 6a0f411..0000000
--- a/Tests/ChemSharp.Tests/Molecules/BondTests.cs
+++ /dev/null
@@ -1,105 +0,0 @@
-using System.Collections.Generic;
-using System.Linq;
-using System.Numerics;
-using ChemSharp.Molecules;
-using ChemSharp.Molecules.Extensions;
-using Microsoft.VisualStudio.TestTools.UnitTesting;
-
-namespace ChemSharp.Tests.Molecules;
-
-[TestClass]
-public class BondTests
-{
-	[TestMethod]
-	public void ABondHas2Atoms()
-	{
-		var atoms = new List<Atom>
-		{
-			new("He") {Location = new Vector3(1, 2, 3)}, new("He") {Location = new Vector3(2, 2, 3)}
-		};
-		var bond = new Bond(atoms[0], atoms[1]);
-		Assert.AreEqual(2, bond.Atoms.Length);
-	}
-
-	/// <summary>
-	///     fixed an error where bonds vanish, when atoms are renamed...
-	/// </summary>
-	[TestMethod]
-	public void BondDoNotVanishBug()
-	{
-		var atoms = new List<Atom>
-		{
-			new("He") {Location = new Vector3(1, 2, 3)},
-			new("He") {Location = new Vector3(2, 2, 3)},
-			new("He") {Location = new Vector3(2, 3, 3)},
-			new("He") {Location = new Vector3(2, 2, 4)}
-		};
-		var bonds = new List<Bond> {new(atoms[0], atoms[1]), new(atoms[2], atoms[3])};
-		Assert.AreEqual(bonds.Count, 2);
-		atoms[0].Title = "CHANGED!";
-		Assert.AreEqual(bonds.Count, 2);
-		atoms[1].Title = "CHANGED";
-		Assert.AreEqual(bonds.Count, 2);
-		foreach (var b in bonds) Assert.AreEqual(b.Atoms.Length, 2);
-
-		foreach (var a in atoms) Assert.AreEqual(AtomUtil.Neighbors(a, bonds).Count(), 1);
-	}
-
-	[TestMethod]
-	public void AtomWithNoNeighborsReturnsEmpty()
-	{
-		var atom = new Atom("Nb");
-		var bonds = new List<Bond>();
-		var n = AtomUtil.Neighbors(atom, bonds);
-		Assert.IsNotNull(n);
-		Assert.AreEqual(n.Count(), 0);
-	}
-
-	[TestMethod]
-	public void AtomWithJustMetalNeighborsReturnsEmpty()
-	{
-		var atoms = new List<Atom>
-		{
-			new("He") {Location = new Vector3(1, 2, 3)},
-			new("Ni") {Location = new Vector3(2, 2, 3)},
-			new("Co") {Location = new Vector3(2, 3, 3)},
-			new("Fe") {Location = new Vector3(2, 2, 4)}
-		};
-		var bonds = new List<Bond> {new(atoms[0], atoms[1]), new(atoms[2], atoms[3])};
-		var mol = new Molecule(atoms, bonds);
-		var n = mol.NonMetalNeighbors(atoms[0]);
-		Assert.IsNotNull(n);
-		Assert.AreEqual(n.Count(), 0);
-	}
-
-	[TestMethod]
-	public void AtomWithNoNeighborsDoesNotFail()
-	{
-		var atom = new Atom("Nb");
-		var bonds = new List<Bond>();
-		var mol = new Molecule(new[] {atom}, bonds);
-		var n = mol.NonMetalNeighbors(atom);
-		Assert.IsNotNull(n);
-		Assert.AreEqual(n.Count(), 0);
-	}
-
-	[TestMethod]
-	public void PtCorDoesNotFail()
-	{
-		//Abraham B. Alemayehu, Hugo Vazquez-Lima, Christine M. Beavers, Kevin J. Gagnon, Jesper Bendix, Abhik Ghosh,
-		//Chemical Communications, 2014, 50, 11093,
-		//DOI: 10.1039/C4CC02548B
-		const string file = "files/ptcor.mol2";
-
-		var mol = MoleculeFactory.Create(file);
-		//remember caching is on!
-		foreach (var a in mol.Atoms)
-		{
-			var noMNeighbors = mol.NonMetalNeighbors(a);
-			Assert.IsNotNull(noMNeighbors);
-			var neighbors = mol.Neighbors(a);
-			Assert.IsNotNull(neighbors);
-			Assert.AreEqual(neighbors.Count, AtomUtil.Neighbors(a, mol.Bonds).Count());
-		}
-	}
-}
diff --git a/Tests/ChemSharp.Tests/Molecules/ChemDrawTest.cs b/Tests/ChemSharp.Tests/Molecules/ChemDrawTest.cs
deleted file mode 100644
index 08d23ac..0000000
--- a/Tests/ChemSharp.Tests/Molecules/ChemDrawTest.cs
+++ /dev/null
@@ -1,22 +0,0 @@
-using ChemSharp.Molecules;
-using ChemSharp.Molecules.DataProviders;
-using ChemSharp.Molecules.Extensions;
-using Microsoft.VisualStudio.TestTools.UnitTesting;
-
-namespace ChemSharp.Tests.Molecules;
-
-[TestClass]
-public class ChemDrawTest
-{
-	[TestMethod]
-	public void TestCDXMLTo3D()
-	{
-		const string path = "files/porphin.cdxml";
-		var provider = new CDXMLDataProvider(path);
-		var mol = new Molecule(provider);
-		// C20H14N4
-		Assert.AreEqual(38, mol.Atoms.Count);
-		Assert.AreEqual("C20H14N4", mol.Atoms.SumFormula());
-		Assert.AreEqual(42, mol.Bonds.Count);
-	}
-}
diff --git a/Tests/ChemSharp.Tests/Molecules/ElementDataProviderTest.cs b/Tests/ChemSharp.Tests/Molecules/ElementDataProviderTest.cs
deleted file mode 100644
index bfefce3..0000000
--- a/Tests/ChemSharp.Tests/Molecules/ElementDataProviderTest.cs
+++ /dev/null
@@ -1,31 +0,0 @@
-using ChemSharp.Molecules;
-using ChemSharp.Molecules.DataProviders;
-using Microsoft.VisualStudio.TestTools.UnitTesting;
-
-namespace ChemSharp.Tests.Molecules;
-
-[TestClass]
-public class ElementDataProviderTest
-{
-	[TestMethod]
-	public void TestColorLoad()
-	{
-		var col = ElementDataProvider.ColorData;
-		Assert.AreEqual(118, col.Count);
-	}
-
-	[TestMethod]
-	public void TestElementLoad()
-	{
-		var data = ElementDataProvider.ElementData;
-		Assert.AreEqual(118, data.Length);
-	}
-
-	[TestMethod]
-	public void TestElements()
-	{
-		var element = new Element("H");
-		Assert.AreEqual("H", element.Symbol);
-		Assert.AreEqual(ElementDataProvider.ColorData["H"], element.Color);
-	}
-}
diff --git a/Tests/ChemSharp.Tests/Molecules/ElementalAnalysisTest.cs b/Tests/ChemSharp.Tests/Molecules/ElementalAnalysisTest.cs
deleted file mode 100644
index 3cf3fb7..0000000
--- a/Tests/ChemSharp.Tests/Molecules/ElementalAnalysisTest.cs
+++ /dev/null
@@ -1,77 +0,0 @@
-using System.Collections.Generic;
-using System.Threading.Tasks;
-using ChemSharp.Molecules;
-using ChemSharp.Molecules.DataProviders;
-using ChemSharp.Molecules.ElementalAnalysis;
-using ChemSharp.Molecules.Extensions;
-using Microsoft.VisualStudio.TestTools.UnitTesting;
-
-namespace ChemSharp.Tests.Molecules;
-
-[TestClass]
-public class ElementalAnalysisTest
-{
-	[TestMethod]
-	public void TestSimulation()
-	{
-		const string file = "files/cif.cif";
-		var prov = new CIFDataProvider(file);
-		var formula = prov.Atoms.SumFormula();
-		var chn = formula.ElementalAnalysis();
-		var experimental = new Dictionary<string, double> {{"C", 60.55}, {"H", 2.7}, {"N", 7.7}};
-		var deviation = ElementalAnalysisUtil.Deviation(chn, experimental);
-		Assert.AreEqual(1.00, deviation["C"]);
-		var dcm = new Impurity("CH2Cl2", 0, 1, 0.1);
-		var best = ElementalAnalysisUtil.Solve(formula, experimental, new HashSet<Impurity> {dcm});
-		//should be 0.2
-		Assert.AreEqual(.2, best[0]);
-	}
-
-	[TestMethod]
-	public void TestWith3Impurities()
-	{
-		const string file = "files/cif.cif";
-		var prov = new CIFDataProvider(file);
-		var formula = prov.Atoms.SumFormula();
-		var chn = formula.ElementalAnalysis();
-		var experimental = new Dictionary<string, double> {{"C", 60.55}, {"H", 2.7}, {"N", 7.7}};
-		var deviation = ElementalAnalysisUtil.Deviation(chn, experimental);
-		Assert.AreEqual(1.00, deviation["C"]);
-		var dcm = new Impurity("CH2Cl2", 0, 1, 0.1);
-		var hexane = new Impurity("C6H14", 0, 1, 0.1);
-		var water = new Impurity("H2O", 0, 1, 0.1);
-		var best = ElementalAnalysisUtil.Solve(formula, experimental, new HashSet<Impurity> {dcm, hexane, water});
-		//should be 0.2
-		Assert.AreEqual(.2, best[0]);
-	}
-
-	[TestMethod]
-	public async Task TestWithClass()
-	{
-		const string file = "files/cif.cif";
-		var mol = new Molecule(new CIFDataProvider(file));
-		var ea = Analysis.FromMolecule(mol);
-		ea.Impurities.Add(new Impurity("CH2Cl2", 0, 1, 0.1));
-		ea.Impurities.Add(new Impurity("C6H14", 0, 1, 0.1));
-		var experimental = new Dictionary<string, double> {{"C", 60.55}, {"H", 2.7}, {"N", 7.7}};
-		ea.ExperimentalAnalysis = experimental;
-		var best = await ea.Solve();
-		//should be 0.2
-		Assert.AreEqual(.2, best[0]);
-	}
-
-	[TestMethod]
-	public async Task TestMastersThesis()
-	{
-		const string formula = "C52H40ClN5O4Zn"; //Zinc isoporphyrin
-		var ea = new Analysis {Formula = formula};
-		ea.Impurities.Add(new Impurity("CH2Cl2", 0, 1, .1));
-		ea.Impurities.Add(new Impurity("C6H14", 0, 1, .1));
-		var experimental = new Dictionary<string, double> {{"C", 68.12}, {"H", 4.77}, {"N", 6.71}};
-		ea.ExperimentalAnalysis = experimental;
-		var best = await ea.Solve();
-		//should be 0.5 and 0.7;
-		Assert.AreEqual(.5d, best[0], .1d);
-		Assert.AreEqual(.7d, best[1], .1d);
-	}
-}
diff --git a/Tests/ChemSharp.Tests/Molecules/ExportTest.cs b/Tests/ChemSharp.Tests/Molecules/ExportTest.cs
deleted file mode 100644
index 31903b5..0000000
--- a/Tests/ChemSharp.Tests/Molecules/ExportTest.cs
+++ /dev/null
@@ -1,42 +0,0 @@
-using System.IO;
-using ChemSharp.Molecules;
-using ChemSharp.Molecules.DataProviders;
-using ChemSharp.Molecules.Export;
-using Microsoft.VisualStudio.TestTools.UnitTesting;
-
-namespace ChemSharp.Tests.Molecules;
-
-[TestClass]
-public class ExportTest
-{
-	private const string dir = "tmp/";
-
-	[TestInitialize]
-	public void InitDir() => Directory.CreateDirectory(dir);
-
-	[TestMethod]
-	public void TestExportXYZ()
-	{
-		const string path = "files/mescho.xyz";
-		var mol = new Molecule(new XYZDataProvider(path));
-		const string export = dir + "test.xyz";
-		XYZExporter.Export(mol, export);
-		var importMol = new Molecule(new XYZDataProvider(export));
-		Assert.AreEqual(mol.Atoms.Count, importMol.Atoms.Count);
-	}
-
-	[TestMethod]
-	public void TestExportMol2()
-	{
-		const string path = "files/tep.mol2";
-		var mol = new Molecule(new Mol2DataProvider(path));
-		const string export = dir + "test.mol2";
-		Mol2Exporter.Export(mol, export);
-		var importMol = new Molecule(new Mol2DataProvider(export));
-		Assert.AreEqual(mol.Atoms.Count, importMol.Atoms.Count);
-		Assert.AreEqual(mol.Bonds.Count, importMol.Bonds.Count);
-	}
-
-	[TestCleanup]
-	public void RemoveDir() => Directory.Delete(dir, true);
-}
diff --git a/Tests/ChemSharp.Tests/Molecules/MacrocycleDetectionTest.cs b/Tests/ChemSharp.Tests/Molecules/MacrocycleDetectionTest.cs
deleted file mode 100644
index af8d86a..0000000
--- a/Tests/ChemSharp.Tests/Molecules/MacrocycleDetectionTest.cs
+++ /dev/null
@@ -1,119 +0,0 @@
-using System;
-using System.Collections.Generic;
-using System.Linq;
-using System.Threading.Tasks;
-using ChemSharp.Extensions;
-using ChemSharp.Molecules;
-using Microsoft.VisualStudio.TestTools.UnitTesting;
-
-namespace ChemSharp.Tests.Molecules;
-
-/// <summary>
-///     Tests DFS Util on Molecules
-/// </summary>
-[TestClass]
-public class MacrocycleDetectionTest
-{
-	[TestMethod]
-	public async Task DetectCorrole() => await RunTest(@"files\cif.cif", 23);
-
-	[TestMethod]
-	public async Task DetectCorroleWithoutCache() => await RunTest(@"files\cif.cif", 23, false);
-
-	//Abraham B. Alemayehu, Hugo Vazquez-Lima, Christine M. Beavers, Kevin J. Gagnon, Jesper Bendix, Abhik Ghosh,
-	//Chemical Communications, 2014, 50, 11093,
-	//DOI: 10.1039/C4CC02548B
-	[TestMethod]
-	public async Task DetectPtCorrole() => await RunTest(@"files\ptcor.mol2", 23);
-
-	[TestMethod]
-	public async Task DetectPorphyrin() => await RunTest(@"files\tep.mol2", 24);
-
-	[TestMethod]
-	public async Task DetectPorphyrinWithoutCache() => await RunTest(@"files\tep.mol2", 24, false);
-
-	[TestMethod]
-	public async Task DetectPorphin() => await RunTest(@"files\porphin.cdxml", 24);
-
-	[TestMethod]
-	public async Task DetectPorphinWithoutCache() => await RunTest(@"files\porphin.cdxml", 24, false);
-
-	private static async Task RunTest(string path, int size, bool useCache = true)
-	{
-		var molecule = MoleculeFactory.Create(path);
-		molecule.CacheNeighborList = useCache;
-		await Task.Run(() => Detect(molecule, size));
-	}
-
-	[TestMethod]
-	public async Task DetectHeme() => await RunTest(@"files\myo.mol2", 24);
-
-	/// <summary>
-	///     Uses <see cref="DFSUtil.ConnectedFigures" /> to  iterate over ConnectedFigures
-	///     Tries to find a Macrocyle in a figure and returns
-	/// </summary>
-	/// <param name="molecule"></param>
-	/// <param name="size"></param>
-	/// <returns></returns>
-	private static void Detect(Molecule molecule, int size)
-	{
-		var deadEnds = Element.DesiredSaturation.Where(s => s.Value == 1).Select(s => s.Key).ToList();
-
-		IEnumerable<Atom> NonMetalNonDeadEnd(Atom atom) =>
-			molecule.NonMetalNeighbors(atom)?.Where(a => !deadEnds.Contains(a.Symbol));
-
-		var parts = new List<IEnumerable<Atom>>();
-		foreach (var fig in DFSUtil.ConnectedFigures(molecule.Atoms.Where(s => molecule.Neighbors(s).Count >= 2),
-		                                             NonMetalNonDeadEnd))
-		{
-			var connected = fig.Distinct().ToArray();
-			connected = connected.Where(s => s.IsNonMetal && s.Symbol != "H").ToArray();
-			if (connected.Length >= size) parts.Add(connected);
-		}
-
-		foreach (var fig in parts.Distinct())
-		{
-			var data = FindCorpus(fig, NonMetalNonDeadEnd, size);
-			if (data?.Count != size) continue;
-
-			Assert.AreEqual(4, data.Count(s => s.Symbol == "N"));
-			Assert.AreEqual(size - 4, data.Count(s => s.Symbol == "C"));
-		}
-	}
-
-	/// <summary>
-	///     Finds Rings in Connected Figure
-	/// </summary>
-	/// <param name="part"></param>
-	/// <param name="func"></param>
-	/// <param name="size"></param>
-	/// <returns></returns>
-	private static HashSet<Atom> FindCorpus(IEnumerable<Atom> part, Func<Atom, IEnumerable<Atom>> func, int size)
-	{
-		foreach (var atom in part)
-		{
-			var corpus = FuncRingPath(atom, size - 8, func);
-			foreach (var n in corpus.SelectMany(func))
-			{
-				var outer = FuncRingPath(n, size - 4, func);
-				outer.UnionWith(corpus);
-				if (outer.Count == size) return outer;
-			}
-		}
-
-		return null;
-	}
-
-	/// <summary>
-	///     Uses <see cref="DFSUtil.BackTrack" /> to find Ring
-	/// </summary>
-	/// <param name="atom"></param>
-	/// <param name="size"></param>
-	/// <param name="func"></param>
-	/// <returns></returns>
-	private static HashSet<Atom> FuncRingPath(Atom atom, int size, Func<Atom, IEnumerable<Atom>> func)
-	{
-		var goal = func(atom).FirstOrDefault();
-		return goal == null ? new HashSet<Atom>() : DFSUtil.BackTrack(atom, goal, func, size);
-	}
-}
diff --git a/Tests/ChemSharp.Tests/Molecules/MoleculeTest.cs b/Tests/ChemSharp.Tests/Molecules/MoleculeTest.cs
deleted file mode 100644
index c92c1f5..0000000
--- a/Tests/ChemSharp.Tests/Molecules/MoleculeTest.cs
+++ /dev/null
@@ -1,223 +0,0 @@
-using System.IO;
-using System.Linq;
-using System.Threading.Tasks;
-using ChemSharp.Molecules;
-using ChemSharp.Molecules.DataProviders;
-using ChemSharp.Molecules.Extensions;
-using Microsoft.VisualStudio.TestTools.UnitTesting;
-
-namespace ChemSharp.Tests.Molecules;
-
-[TestClass]
-public class MoleculeTest
-{
-	[TestMethod]
-	public void TestCif()
-	{
-		//Mo-Corrole, Cl2 Ligand, OMePh Meso, 79 Atoms, 89 Bonds C40Cl2H29MoN4O3, M=780.51
-		const string path = "files/cif.cif";
-		var mol = MoleculeFactory.Create(path);
-		Assert.AreEqual(79, mol.Atoms.Count);
-		Assert.AreEqual(89, mol.Bonds?.Count);
-		Assert.AreEqual(780.51, mol.Atoms.MolecularWeight(), 0.035);
-	}
-
-	[TestMethod]
-	public void TestCif2()
-	{
-		//Mo-Corrole, Cl2 Ligand, OMePh Meso, 79 Atoms, 89 Bonds C40Cl2H29MoN4O3, M=780.51
-		const string path = "files/cif.cif";
-		var provider = new CIFDataProvider(path);
-		var mol = new Molecule(provider.Atoms, provider.Bonds);
-		Assert.AreEqual(79, mol.Atoms.Count);
-		Assert.AreEqual(89, mol.Bonds.Count);
-	}
-
-	[TestMethod]
-	public void TestCif_Trim()
-	{
-		//same cif, but with whitespaces everywhere
-		const string path = "files/cif_noTrim.cif";
-		var provider = new CIFDataProvider(path);
-		var mol = new Molecule(provider.Atoms, provider.Bonds);
-		Assert.AreEqual(79, mol.Atoms.Count);
-		Assert.AreEqual(89, mol.Bonds.Count);
-	}
-
-	[TestMethod]
-	public void TestMol2()
-	{
-		const string path = "files/benzene.mol2";
-		var provider = new Mol2DataProvider(path);
-		var mol = new Molecule(provider.Atoms, provider.Bonds);
-		Assert.AreEqual(12, mol.Atoms.Count);
-		Assert.AreEqual(12, mol.Bonds.Count);
-		Assert.AreEqual(78.11184, mol.Atoms.MolecularWeight(), 0.02);
-		//are C-C bonds in benzene aromatic?
-		foreach (var b in mol.Bonds.Where(b => b.Atoms.Count(c => c.Symbol == "C") == 2)) Assert.IsTrue(b.IsAromatic);
-	}
-
-	[TestMethod]
-	public void TestMol2Myo()
-	{
-		//Myoglobin 2SPL
-		//Carver, T.E., Brantley Jr., R.E., Singleton, E.W., Arduini, R.M., Quillin, M.L., Phillips Jr., G.N., Olson, J.S.
-		//(1992) J Biol Chem 267: 14443 - 14450
-		//http://dx.doi.org/10.1006/jmbi.2001.5028
-		//converted \w mercury
-		const string path = "files/myo.mol2";
-		var provider = new Mol2DataProvider(path);
-		var mol = new Molecule(provider.Atoms, provider.Bonds);
-		//Mercury counts 1437 atoms and 1312 Bonds
-		Assert.AreEqual(mol.Atoms.Count, 1437);
-		Assert.AreEqual(mol.Bonds.Count, 1312);
-	}
-
-
-	[TestMethod]
-	public void TestPDBMyo()
-	{
-		//Myoglobin 2SPL
-		//Carver, T.E., Brantley Jr., R.E., Singleton, E.W., Arduini, R.M., Quillin, M.L., Phillips Jr., G.N., Olson, J.S.
-		//(1992) J Biol Chem 267: 14443 - 14450
-		//http://dx.doi.org/10.1006/jmbi.2001.5028
-		const string path = "files/2spl.pdb";
-		var mol = MoleculeFactory.Create(path);
-		//Mercury counts 1437 atoms and 1312 Bonds, auto detect finds 1314
-		Assert.AreEqual(mol.Atoms.Count, 1437);
-		Assert.AreEqual(mol.Bonds.Count, 1314);
-		//discard aminoacids, water, carbon monoxide & sulfate
-		var atomsNonAmino = mol.Atoms.Where(s => !PDBDataProvider.AminoAcids.ContainsKey(s.Tag) && s.Tag != "HOH" &&
-		                                         s.Tag != "SO4" && s.Tag != "CMO");
-		var hem = mol.Atoms.Where(s => s.Tag == "HEM");
-		Assert.AreEqual(hem.Count(), atomsNonAmino.Count());
-	}
-
-	[TestMethod]
-	public void TestPDBHemoglobin()
-	{
-		//HEMOGLOBIN 1HV4
-		//Liang, Y., Hua, Z., Liang, X., Xu, Q., Lu, G.
-		//(2001) J Mol Biol 313: 123 - 137
-		//http://dx.doi.org/10.1006/jmbi.2001.5028
-		const string path = "files/1hv4.pdb";
-		var provider = new PDBDataProvider(path);
-		var mol = new Molecule(provider.Atoms);
-		//Mercury counts 9288 atoms and 9560 Bonds, auto detect finds 9562
-		Assert.AreEqual(mol.Atoms.Count, 9288);
-		Assert.AreEqual(mol.Bonds.Count, 9562);
-	}
-
-
-	[TestMethod]
-	public void TestOriluyPDB()
-	{
-		//Mercury generated pdb file
-		//from:
-		//P.Schweyen, M.Hoffmann, J.Krumsieck, B.Wolfram, X.Xie, M.Bröring, Angew.Chem.Int.Ed., 2016, 55, 10118, DOI: 10.1002/anie.201604297.
-		const string path = "files/oriluy.pdb";
-		var mol = MoleculeFactory.Create(path);
-		Assert.AreEqual(mol.Atoms.Count, 130);
-	}
-
-	[TestMethod]
-	public void TestMol2_2()
-	{
-		const string path = "files/tep.mol2";
-		var mol = MoleculeFactory.Create(path);
-		Assert.AreEqual(46, mol.Atoms.Count);
-		Assert.AreEqual(10, mol.Bonds.Count(s => s.IsAromatic));
-		Assert.AreEqual(4, mol.Bonds.Count(s => s.Order == 3));
-	}
-
-	[TestMethod]
-	public void TestXYZ()
-	{
-		const string path = "files/mescho.xyz";
-		var mol = MoleculeFactory.Create(path);
-		Assert.AreEqual(23, mol.Atoms.Count);
-		Assert.AreEqual(23, mol.Bonds.Count);
-		Assert.AreEqual(148.205, mol.Atoms.MolecularWeight(), 0.02);
-	}
-
-	[TestMethod]
-	public void TestXYZStream()
-	{
-		const string path = "files/mescho.xyz";
-		var stream = File.Open(path, FileMode.Open);
-		var xyz = new XYZDataProvider(stream);
-		var mol = new Molecule(xyz);
-		Assert.AreEqual(23, mol.Atoms.Count);
-		Assert.AreEqual(23, mol.Bonds.Count);
-		Assert.AreEqual(148.205, mol.Atoms.MolecularWeight(), 0.02);
-	}
-
-	[TestMethod]
-	public async Task TestXYZStreamFactory()
-	{
-		const string path = "files/mescho.xyz";
-		var stream = File.Open(path, FileMode.Open);
-		var mol = await MoleculeFactory.CreateFromStreamAsync(stream, Path.GetExtension(path).Substring(1));
-		Assert.AreEqual(23, mol.Atoms.Count);
-		Assert.AreEqual(23, mol.Bonds.Count);
-		Assert.AreEqual(148.205, mol.Atoms.MolecularWeight(), 0.02);
-	}
-
-	[TestMethod]
-	public void TextMol_Avogadro()
-	{
-		//mol file from avogadro
-		const string path = "files/tep.mol";
-		var mol = MoleculeFactory.Create(path);
-		Assert.AreEqual(46, mol.Atoms.Count);
-		//Assert.AreEqual(10, mol.Bonds.Count(s => s.IsAromatic)); Not supported by avogadro
-		Assert.AreEqual(4, mol.Bonds.Count(s => s.Order == 3));
-	}
-
-	[TestMethod]
-	public void TestMol_ChemSpider_2D()
-	{
-		//mol file from chemspider
-		const string path = "files/benzene.mol";
-		var mol = MoleculeFactory.Create(path);
-		Assert.AreEqual(6, mol.Atoms.Count);
-		Assert.AreEqual(6, mol.Bonds.Count);
-		//chemspider 2D mol files do not add implicit hydrogens
-	}
-
-	[TestMethod]
-	public void TestMol_ChemSpider()
-	{
-		//mol file from chemspider
-		const string path = "files/benzene_3d.mol";
-		var mol = MoleculeFactory.Create(path);
-		Assert.AreEqual(12, mol.Atoms.Count);
-		Assert.AreEqual(12, mol.Bonds.Count);
-	}
-
-	[TestMethod]
-	public void TestMol_Aromaticity()
-	{
-		//mol file from chemspider, manually edited
-		const string path = "files/benzene_arom.mol";
-		var mol = MoleculeFactory.Create(path);
-		Assert.AreEqual(12, mol.Atoms.Count);
-		Assert.AreEqual(12, mol.Bonds.Count);
-		Assert.AreEqual(6, mol.Bonds.Count(s => s.IsAromatic));
-
-		Assert.AreEqual(78.11184, mol.Atoms.MolecularWeight(), 0.02);
-		//are C-C bonds in benzene aromatic?
-		foreach (var b in mol.Bonds.Where(b => b.Atoms.Count(c => c.Symbol == "C") == 2)) Assert.IsTrue(b.IsAromatic);
-	}
-
-	[TestMethod]
-	public void TestMol_ChemSpider_Corrole()
-	{
-		//mol file from chemspider
-		const string path = "files/corrole.mol";
-		var mol = MoleculeFactory.Create(path);
-		Assert.AreEqual(37, mol.Atoms.Count);
-		Assert.AreEqual(41, mol.Bonds.Count);
-		//chemspider mol files do not add implicit hydrogens
-	}
-}
diff --git a/Tests/ChemSharp.Tests/Molecules/PropertiesTest.cs b/Tests/ChemSharp.Tests/Molecules/PropertiesTest.cs
deleted file mode 100644
index eaea27b..0000000
--- a/Tests/ChemSharp.Tests/Molecules/PropertiesTest.cs
+++ /dev/null
@@ -1,40 +0,0 @@
-using System.Numerics;
-using ChemSharp.Molecules;
-using ChemSharp.Molecules.Properties;
-using Microsoft.VisualStudio.TestTools.UnitTesting;
-
-namespace ChemSharp.Tests.Molecules;
-
-[TestClass]
-public class PropertiesTest
-{
-	[TestMethod]
-	public void TestDistance()
-	{
-		var atom1 = new Atom("He") {Location = new Vector3(1, 0, 0)};
-		var atom2 = new Atom("Pr") {Location = new Vector3(0, 0, 0)};
-		var prop = new Distance(atom1, atom2);
-		Assert.AreEqual(1.0, prop.Value, 1e-5d);
-	}
-
-	[TestMethod]
-	public void TestAngle()
-	{
-		var atom1 = new Atom("He") {Location = new Vector3(1, 0, 0)};
-		var atom2 = new Atom("Pr") {Location = new Vector3(0, 0, 0)};
-		var atom3 = new Atom("Nb") {Location = new Vector3(0, 1, 0)};
-		var prop = new Angle(atom1, atom2, atom3);
-		Assert.AreEqual(90.0, prop.Value, 1e-5d);
-	}
-
-	[TestMethod]
-	public void TestDihedral()
-	{
-		var atom1 = new Atom("He") {Location = new Vector3(1, 0, 0)};
-		var atom2 = new Atom("Pr") {Location = new Vector3(0, 0, 0)};
-		var atom3 = new Atom("Nb") {Location = new Vector3(0, 1, 0)};
-		var atom4 = new Atom("Lu") {Location = new Vector3(0, 1, 1)};
-		var prop = new Dihedral(atom1, atom2, atom3, atom4);
-		Assert.AreEqual(-90.0, prop.Value, 1e-5d);
-	}
-}
diff --git a/Tests/ChemSharp.Tests/Molecules/SumFormulaTests.cs b/Tests/ChemSharp.Tests/Molecules/SumFormulaTests.cs
deleted file mode 100644
index 07ad0b7..0000000
--- a/Tests/ChemSharp.Tests/Molecules/SumFormulaTests.cs
+++ /dev/null
@@ -1,91 +0,0 @@
-using System.Collections.Generic;
-using ChemSharp.Molecules.DataProviders;
-using ChemSharp.Molecules.Extensions;
-using Microsoft.VisualStudio.TestTools.UnitTesting;
-
-namespace ChemSharp.Tests.Molecules;
-
-[TestClass]
-public class SumFormulaTests
-{
-	[TestMethod]
-	public void TestFromMolecule()
-	{
-		const string file = "files/cif.cif";
-		var prov = new CIFDataProvider(file);
-		Assert.AreEqual("C40Cl2H29MoN4O3", prov.Atoms.SumFormula());
-	}
-
-	[TestMethod]
-	public void GetElementalAnalysis()
-	{
-		const string formula = "C40Cl2H29MoN4O3";
-		var chn = formula.ElementalAnalysis();
-		Assert.AreEqual(61.550, chn["C"]);
-		Assert.AreEqual(3.745, chn["H"]);
-		Assert.AreEqual(7.178, chn["N"]);
-		Assert.AreEqual(12.294, chn["Mo"]);
-		Assert.AreEqual(6.150, chn["O"]);
-		Assert.AreEqual(9.083, chn["Cl"]);
-	}
-
-	[TestMethod]
-	public void EAAbbreviationTest()
-	{
-		const string formula = "EtOH";
-		var parsed = formula.Parse();
-		Assert.AreEqual("C2H6O1", parsed);
-		var chn = formula.ElementalAnalysis();
-		Assert.AreEqual(52.142, chn["C"]);
-		Assert.AreEqual(13.127, chn["H"]);
-		Assert.AreEqual(34.731, chn["O"]);
-	}
-
-	[TestMethod]
-	public void EAAbbreviationTest2()
-	{
-		const string formula = "Fe(acac)3";
-		var parsed = formula.Parse();
-		Assert.AreEqual("Fe1C15H21O6", parsed);
-	}
-
-	[TestMethod]
-	public void DeviationTest()
-	{
-		const string formula = "PhH";
-		var parsed = formula.Parse();
-		Assert.AreEqual("C6H6", parsed);
-		var chn = formula.ElementalAnalysis();
-		var experimental = new Dictionary<string, double> {{"C", 90}, {"H", 10}};
-		const double delta = 2.258;
-		var deviation = ElementalAnalysisUtil.Deviation(chn, experimental);
-		Assert.AreEqual(delta, deviation["C"]);
-		Assert.AreEqual(delta, deviation["H"]);
-		var err = ElementalAnalysisUtil.Error(ref chn, ref experimental);
-		Assert.AreEqual(16.2595931744669, err, .05);
-	}
-
-	/// <summary>
-	///     Test cases from http://rosettacode.org/wiki/Chemical_calculator#C.23
-	/// </summary>
-	[TestMethod]
-	public void RosettaTest()
-	{
-		var molecules = new[]
-		{
-			"H", "H2", "H2O", "H2O2", "(HO)2", "Na2SO4", "C6H12", "C6H4O2(OH)4", "C27H46O", "COOH(C(CH3)2)3CH3",
-			"(H4O2)0.5", "(H0.5O0.5)4"
-		};
-		var masses = new[]
-		{
-			1.008, 2.016, 18.015, 34.014, 34.014, 142.036, 84.162, 176.124, 386.664, 186.295, 18.015, 34.014
-		};
-
-		for (var i = 0; i < molecules.Length; i++)
-		{
-			var mass = molecules[i].MolecularWeight();
-			Assert.AreEqual(mass, masses[i], .1,
-			                $"Failed for {mass} and {masses[i]} with molecule {molecules[i]}");
-		}
-	}
-}
diff --git a/Tests/ChemSharp.Tests/Spectroscopy/EPRSpectrumTest.cs b/Tests/ChemSharp.Tests/Spectroscopy/EPRSpectrumTest.cs
deleted file mode 100644
index 1976c8e..0000000
--- a/Tests/ChemSharp.Tests/Spectroscopy/EPRSpectrumTest.cs
+++ /dev/null
@@ -1,37 +0,0 @@
-using System;
-using ChemSharp.Extensions;
-using ChemSharp.Spectroscopy;
-using ChemSharp.Spectroscopy.Extension;
-using Microsoft.VisualStudio.TestTools.UnitTesting;
-
-namespace ChemSharp.Tests.Spectroscopy;
-
-[TestClass]
-public class EPRSpectrumTest
-{
-	private Spectrum epr;
-
-	[TestInitialize]
-	public void Init()
-	{
-		const string path = "files/epr.par";
-		epr = SpectrumFactory.Create(path);
-	}
-
-	[TestMethod]
-	public void TestEPRCreation()
-	{
-		Assert.AreEqual(2048, epr.XYData.Count);
-		Assert.AreEqual(2048, epr.Derivative.Count);
-		Assert.AreEqual(2048, epr.Integral.Count);
-		Assert.AreEqual(2048, epr["RES"].ToInt());
-	}
-
-	[TestMethod]
-	public void TestProperties()
-	{
-		Assert.AreEqual("G", epr.Unit());
-		Assert.AreEqual(DateTime.Parse("04.Aug.2017 15:19").ToUniversalTime(),
-		                epr.CreationDate().ToUniversalTime());
-	}
-}
diff --git a/Tests/ChemSharp.Tests/Spectroscopy/ExportTest.cs b/Tests/ChemSharp.Tests/Spectroscopy/ExportTest.cs
deleted file mode 100644
index fc0f1d4..0000000
--- a/Tests/ChemSharp.Tests/Spectroscopy/ExportTest.cs
+++ /dev/null
@@ -1,34 +0,0 @@
-using System.IO;
-using ChemSharp.Spectroscopy;
-using ChemSharp.Spectroscopy.DataProviders;
-using ChemSharp.Spectroscopy.Export;
-using Microsoft.VisualStudio.TestTools.UnitTesting;
-
-namespace ChemSharp.Tests.Spectroscopy;
-
-[TestClass]
-public class ExportTest
-{
-	private const string dir = "tmp/";
-
-	[TestInitialize]
-	public void InitDir() => Directory.CreateDirectory(dir);
-
-	[TestMethod]
-	public void TestExportCSV()
-	{
-		const string par = "files/epr.par";
-		var prov = new BrukerEPRProvider(par);
-		var epr = new Spectrum(prov);
-		var export = dir + "test.csv";
-		CSVExporter.Export(epr, export,
-		                   ';',
-		                   SpectrumExportFlags.Experimental | SpectrumExportFlags.Derivative |
-		                   SpectrumExportFlags.Integral);
-		var provider = new MultiCSVProvider(export, ';');
-		Assert.AreEqual(3, provider.MultiXYData.Count);
-	}
-
-	[TestCleanup]
-	public void RemoveDir() => Directory.Delete(dir, true);
-}
diff --git a/Tests/ChemSharp.Tests/Spectroscopy/NMRSpectrumTest.cs b/Tests/ChemSharp.Tests/Spectroscopy/NMRSpectrumTest.cs
deleted file mode 100644
index 20bc04c..0000000
--- a/Tests/ChemSharp.Tests/Spectroscopy/NMRSpectrumTest.cs
+++ /dev/null
@@ -1,41 +0,0 @@
-using System;
-using ChemSharp.Spectroscopy;
-using ChemSharp.Spectroscopy.Extension;
-using Microsoft.VisualStudio.TestTools.UnitTesting;
-
-namespace ChemSharp.Tests.Spectroscopy;
-
-[TestClass]
-public class NMRSpectrumTest
-{
-	private Spectrum _nmr;
-
-	[TestInitialize]
-	public void SetUp()
-	{
-		const string path = "files/nmr/pdata/1/1r";
-		_nmr = SpectrumFactory.Create(path);
-	}
-
-	[TestMethod]
-	public void TestNMRCreationRaw()
-	{
-		const string path = "files/nmr/fid";
-		var nmr = SpectrumFactory.Create(path);
-		//32768 Data points, taken from procs file
-		Assert.AreEqual(32768, nmr.XYData.Count);
-	}
-
-	[TestMethod]
-	public void TestNMRCreationProcessed() =>
-		//32768 Data points, taken from procs file
-		Assert.AreEqual(32768, _nmr.XYData.Count);
-
-	[TestMethod]
-	public void TestProperties()
-	{
-		Assert.AreEqual("ppm", _nmr.Unit());
-		Assert.AreEqual(DateTime.Parse("03.Feb.2020 10:16:52 +1").ToUniversalTime(),
-		                _nmr.CreationDate().ToUniversalTime());
-	}
-}
diff --git a/Tests/ChemSharp.Tests/Spectroscopy/ProviderTest.cs b/Tests/ChemSharp.Tests/Spectroscopy/ProviderTest.cs
deleted file mode 100644
index eef9408..0000000
--- a/Tests/ChemSharp.Tests/Spectroscopy/ProviderTest.cs
+++ /dev/null
@@ -1,56 +0,0 @@
-using ChemSharp.Spectroscopy.DataProviders;
-using Microsoft.VisualStudio.TestTools.UnitTesting;
-
-namespace ChemSharp.Tests.Spectroscopy;
-
-[TestClass]
-public class ProviderTest
-{
-	[TestMethod]
-	public void TestEPRProvider()
-	{
-		const string par = "files/epr.par";
-		var provider = new BrukerEPRProvider(par);
-		Assert.AreEqual(2048, provider.XYData.Length);
-	}
-
-	[TestMethod]
-	public void TestUVVisProvider()
-	{
-		const string dsw = "files/uvvis.dsw";
-		var provider = new VarianUVVisProvider(dsw);
-		Assert.AreEqual(901, provider.XYData.Length);
-	}
-
-	[TestMethod]
-	public void TestNMRProvider()
-	{
-		const string fid = "files/nmr/pdata/1/1i";
-		var provider = new BrukerNMRProvider(fid);
-		Assert.AreEqual(32768, provider.XYData.Length);
-	}
-
-	[TestMethod]
-	public void TestNMRProviderRaw()
-	{
-		const string fid = "files/nmr/fid";
-		var provider = new BrukerNMRProvider(fid, true);
-		Assert.AreEqual(32768, provider.XYData.Length);
-	}
-
-	[TestMethod]
-	public void TestCSVProvider()
-	{
-		const string file = "files/uvvis.csv";
-		var provider = new GenericCSVProvider(file);
-		Assert.AreEqual(901, provider.XYData.Length);
-	}
-
-	[TestMethod]
-	public void TestCSVMultiProvider()
-	{
-		const string file = "files/multicsv.csv";
-		var provider = new MultiCSVProvider(file);
-		Assert.AreEqual(23, provider.MultiXYData.Count);
-	}
-}
diff --git a/Tests/ChemSharp.Tests/Spectroscopy/UVVisSpectrumTest.cs b/Tests/ChemSharp.Tests/Spectroscopy/UVVisSpectrumTest.cs
deleted file mode 100644
index 1916277..0000000
--- a/Tests/ChemSharp.Tests/Spectroscopy/UVVisSpectrumTest.cs
+++ /dev/null
@@ -1,30 +0,0 @@
-using ChemSharp.Spectroscopy;
-using ChemSharp.Spectroscopy.DataProviders;
-using Microsoft.VisualStudio.TestTools.UnitTesting;
-
-namespace ChemSharp.Tests.Spectroscopy;
-
-[TestClass]
-public class UVVisSpectrumTest
-{
-	[TestMethod]
-	public void TestUVVisCreation()
-	{
-		const string path = "files/uvvis.dsw";
-		var uvvis = SpectrumFactory.Create(path);
-		Assert.AreEqual(901, uvvis.XYData.Count);
-		Assert.AreEqual(901, uvvis.Derivative.Count);
-		Assert.AreEqual(901, uvvis.Integral.Count);
-	}
-
-	[TestMethod]
-	public void TestUVVisFromCSV()
-	{
-		const string path = "files/uvvis.csv";
-		var prov = new GenericCSVProvider(path);
-		var uvvis = new Spectrum(prov);
-		Assert.AreEqual(901, uvvis.XYData.Count);
-		Assert.AreEqual(901, uvvis.Derivative.Count);
-		Assert.AreEqual(901, uvvis.Integral.Count);
-	}
-}
diff --git a/Tests/ChemSharp.Tests/Unit/UnitTests.cs b/Tests/ChemSharp.Tests/Unit/UnitTests.cs
deleted file mode 100644
index 535bafa..0000000
--- a/Tests/ChemSharp.Tests/Unit/UnitTests.cs
+++ /dev/null
@@ -1,36 +0,0 @@
-using ChemSharp.UnitConversion;
-using Microsoft.VisualStudio.TestTools.UnitTesting;
-
-namespace ChemSharp.Tests.Unit;
-
-[TestClass]
-public class UnitTests
-{
-	[TestMethod]
-	public void TestEnergy()
-	{
-		var converter = new EnergyUnitConverter("eV", "cm^-1");
-		Assert.AreEqual(8065.544, converter.Convert(1), 0.0005);
-		Assert.AreEqual(1 / 8065.544, converter.ConvertInverted(1), 0.0005);
-		converter = new EnergyUnitConverter("nm", "cm^-1");
-		Assert.AreEqual(20000, converter.Convert(500));
-		Assert.AreEqual(500, converter.ConvertInverted(20000));
-	}
-
-	[TestMethod]
-	public void TestMagnetic()
-	{
-		var converter = new MagneticUnitConverter("G", "mT");
-		Assert.AreEqual(.1, converter.Convert(1));
-		Assert.AreEqual(10, converter.ConvertInverted(1));
-	}
-
-	[TestMethod]
-	public void TestMass()
-	{
-		var converter = new MassUnitConverter("Solar Mass", "Earth Mass");
-		Assert.AreEqual(332946.0487, converter.Convert(1), 1.25);
-		converter = new MassUnitConverter("lbs", "g");
-		Assert.AreEqual(453.59237, converter.Convert(1));
-	}
-}
diff --git a/Tests/ChemSharp.Tests/files/1hv4.pdb b/Tests/ChemSharp.Tests/files/1hv4.pdb
deleted file mode 100644
index ce8a979..0000000
--- a/Tests/ChemSharp.Tests/files/1hv4.pdb
+++ /dev/null
@@ -1,10364 +0,0 @@
-HEADER    OXYGEN STORAGE/TRANSPORT                07-JAN-01   1HV4              
-TITLE     CRYSTAL STRUCTURE ANALYSIS OF BAR-HEAD GOOSE HEMOGLOBIN (DEOXY FORM)  
-COMPND    MOL_ID: 1;                                                            
-COMPND   2 MOLECULE: HEMOGLOBIN ALPHA-A CHAIN;                                  
-COMPND   3 CHAIN: A, C, E, G;                                                   
-COMPND   4 MOL_ID: 2;                                                           
-COMPND   5 MOLECULE: HEMOGLOBIN BETA CHAIN;                                     
-COMPND   6 CHAIN: B, D, F, H                                                    
-SOURCE    MOL_ID: 1;                                                            
-SOURCE   2 ORGANISM_SCIENTIFIC: ANSER INDICUS;                                  
-SOURCE   3 ORGANISM_COMMON: BAR-HEADED GOOSE;                                   
-SOURCE   4 ORGANISM_TAXID: 8846;                                                
-SOURCE   5 TISSUE: BLOOD;                                                       
-SOURCE   6 CELL: ERYTHROCYTES;                                                  
-SOURCE   7 CELLULAR_LOCATION: CYTOPLASM;                                        
-SOURCE   8 MOL_ID: 2;                                                           
-SOURCE   9 ORGANISM_SCIENTIFIC: ANSER INDICUS;                                  
-SOURCE  10 ORGANISM_COMMON: BAR-HEADED GOOSE;                                   
-SOURCE  11 ORGANISM_TAXID: 8846;                                                
-SOURCE  12 TISSUE: BLOOD;                                                       
-SOURCE  13 CELL: ERYTHROCYTES;                                                  
-SOURCE  14 CELLULAR_LOCATION: CYTOPLASM                                         
-KEYWDS    ALLOSTERIC MECHANISM, OXYGEN TRANSPORT, HEME, RESPIRATORY PROTEIN,    
-KEYWDS   2 OXYGEN STORAGE-TRANSPORT COMPLEX                                     
-EXPDTA    X-RAY DIFFRACTION                                                     
-AUTHOR    Y.LIANG,Z.HUA,X.LIANG,Q.XU,G.LU                                       
-REVDAT   4   04-OCT-17 1HV4    1       REMARK                                   
-REVDAT   3   24-FEB-09 1HV4    1       VERSN                                    
-REVDAT   2   31-OCT-01 1HV4    1       AUTHOR JRNL                              
-REVDAT   1   17-JAN-01 1HV4    0                                                
-JRNL        AUTH   Y.LIANG,Z.HUA,X.LIANG,Q.XU,G.LU                              
-JRNL        TITL   THE CRYSTAL STRUCTURE OF BAR-HEADED GOOSE HEMOGLOBIN IN      
-JRNL        TITL 2 DEOXY FORM: THE ALLOSTERIC MECHANISM OF A HEMOGLOBIN SPECIES 
-JRNL        TITL 3 WITH HIGH OXYGEN AFFINITY.                                   
-JRNL        REF    J.MOL.BIOL.                   V. 313   123 2001              
-JRNL        REFN                   ISSN 0022-2836                               
-JRNL        PMID   11601851                                                     
-JRNL        DOI    10.1006/JMBI.2001.5028                                       
-REMARK   2                                                                      
-REMARK   2 RESOLUTION.    2.80 ANGSTROMS.                                       
-REMARK   3                                                                      
-REMARK   3 REFINEMENT.                                                          
-REMARK   3   PROGRAM     : CNS 1.0                                              
-REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              
-REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,              
-REMARK   3               : READ,RICE,SIMONSON,WARREN                            
-REMARK   3                                                                      
-REMARK   3  REFINEMENT TARGET : ENGH & HUBER                                    
-REMARK   3                                                                      
-REMARK   3  DATA USED IN REFINEMENT.                                            
-REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.80                           
-REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 36.89                          
-REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
-REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 63263.600                      
-REMARK   3   DATA CUTOFF LOW          (ABS(F)) : 0.0000                         
-REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 84.0                           
-REMARK   3   NUMBER OF REFLECTIONS             : 27148                          
-REMARK   3                                                                      
-REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
-REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
-REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
-REMARK   3   R VALUE            (WORKING SET) : 0.197                           
-REMARK   3   FREE R VALUE                     : 0.243                           
-REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.100                          
-REMARK   3   FREE R VALUE TEST SET COUNT      : 2752                            
-REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.005                           
-REMARK   3                                                                      
-REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
-REMARK   3   TOTAL NUMBER OF BINS USED           : 6                            
-REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.80                         
-REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.98                         
-REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 68.00                        
-REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 3268                         
-REMARK   3   BIN R VALUE           (WORKING SET) : 0.2850                       
-REMARK   3   BIN FREE R VALUE                    : 0.3290                       
-REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 10.60                        
-REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 389                          
-REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.017                        
-REMARK   3                                                                      
-REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
-REMARK   3   PROTEIN ATOMS            : 8944                                    
-REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
-REMARK   3   HETEROGEN ATOMS          : 344                                     
-REMARK   3   SOLVENT ATOMS            : 0                                       
-REMARK   3                                                                      
-REMARK   3  B VALUES.                                                           
-REMARK   3   FROM WILSON PLOT           (A**2) : 28.40                          
-REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 27.70                          
-REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
-REMARK   3    B11 (A**2) : -0.95000                                             
-REMARK   3    B22 (A**2) : -5.21000                                             
-REMARK   3    B33 (A**2) : 6.16000                                              
-REMARK   3    B12 (A**2) : 1.41000                                              
-REMARK   3    B13 (A**2) : -2.33000                                             
-REMARK   3    B23 (A**2) : -0.53000                                             
-REMARK   3                                                                      
-REMARK   3  ESTIMATED COORDINATE ERROR.                                         
-REMARK   3   ESD FROM LUZZATI PLOT        (A) : 0.30                            
-REMARK   3   ESD FROM SIGMAA              (A) : 0.44                            
-REMARK   3   LOW RESOLUTION CUTOFF        (A) : 5.00                            
-REMARK   3                                                                      
-REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
-REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : 0.38                            
-REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.55                            
-REMARK   3                                                                      
-REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
-REMARK   3   BOND LENGTHS                 (A) : 0.014                           
-REMARK   3   BOND ANGLES            (DEGREES) : 1.600                           
-REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 19.80                           
-REMARK   3   IMPROPER ANGLES        (DEGREES) : 1.250                           
-REMARK   3                                                                      
-REMARK   3  ISOTROPIC THERMAL MODEL : RESTRAINED                                
-REMARK   3                                                                      
-REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
-REMARK   3   MAIN-CHAIN BOND              (A**2) : NULL  ; NULL                 
-REMARK   3   MAIN-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
-REMARK   3   SIDE-CHAIN BOND              (A**2) : NULL  ; NULL                 
-REMARK   3   SIDE-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
-REMARK   3                                                                      
-REMARK   3  BULK SOLVENT MODELING.                                              
-REMARK   3   METHOD USED : FLAT MODEL                                           
-REMARK   3   KSOL        : 0.30                                                 
-REMARK   3   BSOL        : 30.63                                                
-REMARK   3                                                                      
-REMARK   3  NCS MODEL : CONSTR                                                  
-REMARK   3                                                                      
-REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
-REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
-REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
-REMARK   3                                                                      
-REMARK   3  PARAMETER FILE  1  : PROTEIN_REP.PARAM                              
-REMARK   3  PARAMETER FILE  2  : PARAM19X.HEME-USE                              
-REMARK   3  PARAMETER FILE  3  : PARAM19.SOL                                    
-REMARK   3  PARAMETER FILE  4  : NULL                                           
-REMARK   3  TOPOLOGY FILE  1   : PROTEIN.TOP                                    
-REMARK   3  TOPOLOGY FILE  2   : TOPH19X.HEME-USE                               
-REMARK   3  TOPOLOGY FILE  3   : TOPH19.SOL                                     
-REMARK   3  TOPOLOGY FILE  4   : NULL                                           
-REMARK   3                                                                      
-REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
-REMARK   4                                                                      
-REMARK   4 1HV4 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
-REMARK 100                                                                      
-REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-JAN-01.                  
-REMARK 100 THE DEPOSITION ID IS D_1000012606.                                   
-REMARK 200                                                                      
-REMARK 200 EXPERIMENTAL DETAILS                                                 
-REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
-REMARK 200  DATE OF DATA COLLECTION        : 10-MAY-95                          
-REMARK 200  TEMPERATURE           (KELVIN) : 291                                
-REMARK 200  PH                             : 7.2                                
-REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
-REMARK 200                                                                      
-REMARK 200  SYNCHROTRON              (Y/N) : N                                  
-REMARK 200  RADIATION SOURCE               : ROTATING ANODE                     
-REMARK 200  BEAMLINE                       : NULL                               
-REMARK 200  X-RAY GENERATOR MODEL          : RIGAKU RU300                       
-REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
-REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418                             
-REMARK 200  MONOCHROMATOR                  : NULL                               
-REMARK 200  OPTICS                         : NULL                               
-REMARK 200                                                                      
-REMARK 200  DETECTOR TYPE                  : AREA DETECTOR                      
-REMARK 200  DETECTOR MANUFACTURER          : SIEMENS X200                       
-REMARK 200  INTENSITY-INTEGRATION SOFTWARE : IPC                                
-REMARK 200  DATA SCALING SOFTWARE          : X-GEN                              
-REMARK 200                                                                      
-REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 30654                              
-REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.570                              
-REMARK 200  RESOLUTION RANGE LOW       (A) : 36.890                             
-REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 1.000                              
-REMARK 200                                                                      
-REMARK 200 OVERALL.                                                             
-REMARK 200  COMPLETENESS FOR RANGE     (%) : 67.4                               
-REMARK 200  DATA REDUNDANCY                : 1.900                              
-REMARK 200  R MERGE                    (I) : 0.06100                            
-REMARK 200  R SYM                      (I) : NULL                               
-REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 15.1000                            
-REMARK 200                                                                      
-REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
-REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.57                     
-REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.73                     
-REMARK 200  COMPLETENESS FOR SHELL     (%) : 24.0                               
-REMARK 200  DATA REDUNDANCY IN SHELL       : 1.14                               
-REMARK 200  R MERGE FOR SHELL          (I) : 0.14600                            
-REMARK 200  R SYM FOR SHELL            (I) : NULL                               
-REMARK 200  <I/SIGMA(I)> FOR SHELL         : 4.400                              
-REMARK 200                                                                      
-REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
-REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
-REMARK 200 SOFTWARE USED: X-PLOR                                                
-REMARK 200 STARTING MODEL: PDB ENTRY 1A4F                                       
-REMARK 200                                                                      
-REMARK 200 REMARK: NULL                                                         
-REMARK 280                                                                      
-REMARK 280 CRYSTAL                                                              
-REMARK 280 SOLVENT CONTENT, VS   (%): 53.99                                     
-REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.67                     
-REMARK 280                                                                      
-REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 6000, POTASSIUM PHOSPHATE , PH       
-REMARK 280  7.2, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K                
-REMARK 290                                                                      
-REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
-REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1                              
-REMARK 290                                                                      
-REMARK 290      SYMOP   SYMMETRY                                                
-REMARK 290     NNNMMM   OPERATOR                                                
-REMARK 290       1555   X,Y,Z                                                   
-REMARK 290                                                                      
-REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
-REMARK 290           MMM -> TRANSLATION VECTOR                                  
-REMARK 290                                                                      
-REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
-REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
-REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
-REMARK 290 RELATED MOLECULES.                                                   
-REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
-REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
-REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
-REMARK 290                                                                      
-REMARK 290 REMARK: NULL                                                         
-REMARK 300                                                                      
-REMARK 300 BIOMOLECULE: 1, 2                                                    
-REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
-REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
-REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
-REMARK 300 BURIED SURFACE AREA.                                                 
-REMARK 350                                                                      
-REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
-REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
-REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
-REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
-REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
-REMARK 350                                                                      
-REMARK 350 BIOMOLECULE: 1                                                       
-REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC                        
-REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
-REMARK 350 SOFTWARE USED: PISA                                                  
-REMARK 350 TOTAL BURIED SURFACE AREA: 11350 ANGSTROM**2                         
-REMARK 350 SURFACE AREA OF THE COMPLEX: 23400 ANGSTROM**2                       
-REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -111.0 KCAL/MOL                       
-REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D                            
-REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
-REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
-REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
-REMARK 350                                                                      
-REMARK 350 BIOMOLECULE: 2                                                       
-REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC                        
-REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
-REMARK 350 SOFTWARE USED: PISA                                                  
-REMARK 350 TOTAL BURIED SURFACE AREA: 11360 ANGSTROM**2                         
-REMARK 350 SURFACE AREA OF THE COMPLEX: 23370 ANGSTROM**2                       
-REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -111.0 KCAL/MOL                       
-REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, F, G, H                            
-REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
-REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
-REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
-REMARK 500                                                                      
-REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
-REMARK 500                                                                      
-REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
-REMARK 500   O    ALA D   142     N    LYS D   144              2.06            
-REMARK 500   O    ALA F   142     N    LYS F   144              2.06            
-REMARK 500   O    ALA H   142     N    LYS H   144              2.07            
-REMARK 500   O    ALA B   142     N    LYS B   144              2.08            
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
-REMARK 500                                                                      
-REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
-REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
-REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
-REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
-REMARK 500                                                                      
-REMARK 500 STANDARD TABLE:                                                      
-REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
-REMARK 500                                                                      
-REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
-REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
-REMARK 500                                                                      
-REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
-REMARK 500    PRO D  58   C   -  N   -  CA  ANGL. DEV. =   9.0 DEGREES          
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: TORSION ANGLES                                             
-REMARK 500                                                                      
-REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
-REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
-REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
-REMARK 500                                                                      
-REMARK 500 STANDARD TABLE:                                                      
-REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
-REMARK 500                                                                      
-REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
-REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
-REMARK 500                                                                      
-REMARK 500  M RES CSSEQI        PSI       PHI                                   
-REMARK 500    LEU A   2      113.83     76.10                                   
-REMARK 500    SER A   3     -175.47    -69.36                                   
-REMARK 500    HIS A  20        5.47   -152.46                                   
-REMARK 500    THR A  41      -27.70    -36.13                                   
-REMARK 500    HIS A  50      130.11    -36.63                                   
-REMARK 500    ILE A  73        2.25    -56.49                                   
-REMARK 500    ASP A  75       58.90   -144.61                                   
-REMARK 500    ALA A  88      -70.28    -96.27                                   
-REMARK 500    LYS A  90      -71.70    -81.29                                   
-REMARK 500    LEU A 117       57.30    -99.27                                   
-REMARK 500    ALA A 138      -18.31    -37.13                                   
-REMARK 500    LYS A 139      -31.43    -38.69                                   
-REMARK 500    TYR B  35       73.48   -115.06                                   
-REMARK 500    LEU B  48       29.74   -147.90                                   
-REMARK 500    ASN B  77       77.93   -153.34                                   
-REMARK 500    LEU B  78       -4.14    -49.48                                   
-REMARK 500    ASN B  80       14.70   -165.22                                   
-REMARK 500    CYS B  93      -60.33    -98.04                                   
-REMARK 500    LYS B  95      -77.68    -90.59                                   
-REMARK 500    ALA B 119     -122.40     33.50                                   
-REMARK 500    ALA B 142      -94.33    -55.60                                   
-REMARK 500    ARG B 143      -54.83     22.07                                   
-REMARK 500    LYS B 144       -8.99    -48.94                                   
-REMARK 500    LEU C   2      113.79     75.12                                   
-REMARK 500    SER C   3     -175.01    -68.59                                   
-REMARK 500    HIS C  20        7.27   -153.25                                   
-REMARK 500    THR C  41      -27.74    -35.54                                   
-REMARK 500    HIS C  50      129.98    -36.21                                   
-REMARK 500    ILE C  73        2.42    -57.31                                   
-REMARK 500    ASP C  75       59.77   -145.57                                   
-REMARK 500    ALA C  88      -69.09    -97.03                                   
-REMARK 500    LYS C  90      -71.77    -78.94                                   
-REMARK 500    LEU C 117       59.08   -102.25                                   
-REMARK 500    ALA C 138      -17.88    -37.08                                   
-REMARK 500    LYS C 139      -31.16    -39.07                                   
-REMARK 500    TYR C 140       21.14    -79.37                                   
-REMARK 500    TYR D  35       74.67   -114.87                                   
-REMARK 500    LEU D  48       28.71   -148.26                                   
-REMARK 500    ASN D  77       77.49   -152.44                                   
-REMARK 500    LEU D  78       -3.67    -49.03                                   
-REMARK 500    ASN D  80       14.89   -165.89                                   
-REMARK 500    CYS D  93      -61.43    -96.61                                   
-REMARK 500    LYS D  95      -79.60    -90.60                                   
-REMARK 500    ALA D 119     -122.95     33.68                                   
-REMARK 500    ALA D 142      -93.62    -55.05                                   
-REMARK 500    ARG D 143      -53.75     21.15                                   
-REMARK 500    LYS D 144       -8.63    -50.08                                   
-REMARK 500    LEU E   2      114.63     76.22                                   
-REMARK 500    HIS E  20        5.56   -152.41                                   
-REMARK 500    THR E  41      -27.31    -36.01                                   
-REMARK 500                                                                      
-REMARK 500 THIS ENTRY HAS      92 RAMACHANDRAN OUTLIERS.                        
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 620                                                                      
-REMARK 620 METAL COORDINATION                                                   
-REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
-REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
-REMARK 620                                                                      
-REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
-REMARK 620                             HEM A 151  FE                            
-REMARK 620 N RES CSSEQI ATOM                                                    
-REMARK 620 1 HIS A  87   NE2                                                    
-REMARK 620 2 HEM A 151   NA   80.6                                              
-REMARK 620 3 HEM A 151   NB   87.6  87.3                                        
-REMARK 620 4 HEM A 151   NC   91.4 170.7  87.5                                  
-REMARK 620 5 HEM A 151   ND   85.6  87.1 171.9  97.1                            
-REMARK 620 N                    1     2     3     4                             
-REMARK 620                                                                      
-REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
-REMARK 620                             HEM B 152  FE                            
-REMARK 620 N RES CSSEQI ATOM                                                    
-REMARK 620 1 HIS B  92   NE2                                                    
-REMARK 620 2 HEM B 152   NA   95.9                                              
-REMARK 620 3 HEM B 152   NB   89.8  91.6                                        
-REMARK 620 4 HEM B 152   NC   82.6 177.8  86.8                                  
-REMARK 620 5 HEM B 152   ND   85.2  89.0 175.0  92.5                            
-REMARK 620 N                    1     2     3     4                             
-REMARK 620                                                                      
-REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
-REMARK 620                             HEM C 153  FE                            
-REMARK 620 N RES CSSEQI ATOM                                                    
-REMARK 620 1 HIS C  87   NE2                                                    
-REMARK 620 2 HEM C 153   NA   81.9                                              
-REMARK 620 3 HEM C 153   NB   89.6  90.1                                        
-REMARK 620 4 HEM C 153   NC   89.8 171.1  86.6                                  
-REMARK 620 5 HEM C 153   ND   83.1  87.6 172.6  94.7                            
-REMARK 620 N                    1     2     3     4                             
-REMARK 620                                                                      
-REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
-REMARK 620                             HEM D 154  FE                            
-REMARK 620 N RES CSSEQI ATOM                                                    
-REMARK 620 1 HIS D  92   NE2                                                    
-REMARK 620 2 HEM D 154   NA   94.1                                              
-REMARK 620 3 HEM D 154   NB   88.5  94.2                                        
-REMARK 620 4 HEM D 154   NC   79.4 173.5  86.2                                  
-REMARK 620 5 HEM D 154   ND   82.5  89.5 170.5  89.1                            
-REMARK 620 N                    1     2     3     4                             
-REMARK 620                                                                      
-REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
-REMARK 620                             HEM E 155  FE                            
-REMARK 620 N RES CSSEQI ATOM                                                    
-REMARK 620 1 HIS E  87   NE2                                                    
-REMARK 620 2 HEM E 155   NA   83.0                                              
-REMARK 620 3 HEM E 155   NB   91.1  90.2                                        
-REMARK 620 4 HEM E 155   NC   92.9 174.8  86.8                                  
-REMARK 620 5 HEM E 155   ND   86.3  87.0 176.3  95.9                            
-REMARK 620 N                    1     2     3     4                             
-REMARK 620                                                                      
-REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
-REMARK 620                             HEM F 156  FE                            
-REMARK 620 N RES CSSEQI ATOM                                                    
-REMARK 620 1 HIS F  92   NE2                                                    
-REMARK 620 2 HEM F 156   NA   98.2                                              
-REMARK 620 3 HEM F 156   NB   91.3  92.9                                        
-REMARK 620 4 HEM F 156   NC   82.6 178.8  86.2                                  
-REMARK 620 5 HEM F 156   ND   86.9  88.8 177.7  92.1                            
-REMARK 620 N                    1     2     3     4                             
-REMARK 620                                                                      
-REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
-REMARK 620                             HEM G 157  FE                            
-REMARK 620 N RES CSSEQI ATOM                                                    
-REMARK 620 1 HIS G  87   NE2                                                    
-REMARK 620 2 HEM G 157   NA   82.4                                              
-REMARK 620 3 HEM G 157   NB   90.5  90.8                                        
-REMARK 620 4 HEM G 157   NC   89.7 171.8  86.9                                  
-REMARK 620 5 HEM G 157   ND   84.4  88.4 174.9  93.2                            
-REMARK 620 N                    1     2     3     4                             
-REMARK 620                                                                      
-REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
-REMARK 620                             HEM H 158  FE                            
-REMARK 620 N RES CSSEQI ATOM                                                    
-REMARK 620 1 HIS H  92   NE2                                                    
-REMARK 620 2 HEM H 158   NA   94.5                                              
-REMARK 620 3 HEM H 158   NB   87.0  93.9                                        
-REMARK 620 4 HEM H 158   NC   78.4 172.9  85.2                                  
-REMARK 620 5 HEM H 158   ND   82.0  91.2 168.2  88.5                            
-REMARK 620 N                    1     2     3     4                             
-REMARK 800                                                                      
-REMARK 800 SITE                                                                 
-REMARK 800 SITE_IDENTIFIER: AC1                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 151                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: AC2                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM B 152                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: AC3                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM C 153                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: AC4                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM D 154                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: AC5                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM E 155                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: AC6                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM F 156                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: AC7                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM G 157                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: AC8                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM H 158                 
-REMARK 900                                                                      
-REMARK 900 RELATED ENTRIES                                                      
-REMARK 900 RELATED ID: 1A4F   RELATED DB: PDB                                   
-REMARK 900 BAR-HEADED GOOSE HB (OXY FORM)                                       
-REMARK 900 RELATED ID: 1C40   RELATED DB: PDB                                   
-REMARK 900 BAR-HEADED GOOSE HB (AQUOMET FORM)                                   
-DBREF  1HV4 A    1   141  UNP    P01990   HBA_ANSIN        1    141             
-DBREF  1HV4 C    1   141  UNP    P01990   HBA_ANSIN        1    141             
-DBREF  1HV4 E    1   141  UNP    P01990   HBA_ANSIN        1    141             
-DBREF  1HV4 G    1   141  UNP    P01990   HBA_ANSIN        1    141             
-DBREF  1HV4 B    1   146  UNP    P02118   HBB_ANSIN        1    146             
-DBREF  1HV4 D    1   146  UNP    P02118   HBB_ANSIN        1    146             
-DBREF  1HV4 F    1   146  UNP    P02118   HBB_ANSIN        1    146             
-DBREF  1HV4 H    1   146  UNP    P02118   HBB_ANSIN        1    146             
-SEQRES   1 A  141  VAL LEU SER ALA ALA ASP LYS THR ASN VAL LYS GLY VAL          
-SEQRES   2 A  141  PHE SER LYS ILE SER GLY HIS ALA GLU GLU TYR GLY ALA          
-SEQRES   3 A  141  GLU THR LEU GLU ARG MET PHE THR ALA TYR PRO GLN THR          
-SEQRES   4 A  141  LYS THR TYR PHE PRO HIS PHE ASP LEU GLN HIS GLY SER          
-SEQRES   5 A  141  ALA GLN ILE LYS ALA HIS GLY LYS LYS VAL VAL ALA ALA          
-SEQRES   6 A  141  LEU VAL GLU ALA VAL ASN HIS ILE ASP ASP ILE ALA GLY          
-SEQRES   7 A  141  ALA LEU SER LYS LEU SER ASP LEU HIS ALA GLN LYS LEU          
-SEQRES   8 A  141  ARG VAL ASP PRO VAL ASN PHE LYS PHE LEU GLY HIS CYS          
-SEQRES   9 A  141  PHE LEU VAL VAL VAL ALA ILE HIS HIS PRO SER ALA LEU          
-SEQRES  10 A  141  THR ALA GLU VAL HIS ALA SER LEU ASP LYS PHE LEU CYS          
-SEQRES  11 A  141  ALA VAL GLY THR VAL LEU THR ALA LYS TYR ARG                  
-SEQRES   1 B  146  VAL HIS TRP SER ALA GLU GLU LYS GLN LEU ILE THR GLY          
-SEQRES   2 B  146  LEU TRP GLY LYS VAL ASN VAL ALA ASP CYS GLY ALA GLU          
-SEQRES   3 B  146  ALA LEU ALA ARG LEU LEU ILE VAL TYR PRO TRP THR GLN          
-SEQRES   4 B  146  ARG PHE PHE SER SER PHE GLY ASN LEU SER SER PRO THR          
-SEQRES   5 B  146  ALA ILE LEU GLY ASN PRO MET VAL ARG ALA HIS GLY LYS          
-SEQRES   6 B  146  LYS VAL LEU THR SER PHE GLY ASP ALA VAL LYS ASN LEU          
-SEQRES   7 B  146  ASP ASN ILE LYS ASN THR PHE ALA GLN LEU SER GLU LEU          
-SEQRES   8 B  146  HIS CYS ASP LYS LEU HIS VAL ASP PRO GLU ASN PHE ARG          
-SEQRES   9 B  146  LEU LEU GLY ASP ILE LEU ILE ILE VAL LEU ALA ALA HIS          
-SEQRES  10 B  146  PHE ALA LYS GLU PHE THR PRO ASP CYS GLN ALA ALA TRP          
-SEQRES  11 B  146  GLN LYS LEU VAL ARG VAL VAL ALA HIS ALA LEU ALA ARG          
-SEQRES  12 B  146  LYS TYR HIS                                                  
-SEQRES   1 C  141  VAL LEU SER ALA ALA ASP LYS THR ASN VAL LYS GLY VAL          
-SEQRES   2 C  141  PHE SER LYS ILE SER GLY HIS ALA GLU GLU TYR GLY ALA          
-SEQRES   3 C  141  GLU THR LEU GLU ARG MET PHE THR ALA TYR PRO GLN THR          
-SEQRES   4 C  141  LYS THR TYR PHE PRO HIS PHE ASP LEU GLN HIS GLY SER          
-SEQRES   5 C  141  ALA GLN ILE LYS ALA HIS GLY LYS LYS VAL VAL ALA ALA          
-SEQRES   6 C  141  LEU VAL GLU ALA VAL ASN HIS ILE ASP ASP ILE ALA GLY          
-SEQRES   7 C  141  ALA LEU SER LYS LEU SER ASP LEU HIS ALA GLN LYS LEU          
-SEQRES   8 C  141  ARG VAL ASP PRO VAL ASN PHE LYS PHE LEU GLY HIS CYS          
-SEQRES   9 C  141  PHE LEU VAL VAL VAL ALA ILE HIS HIS PRO SER ALA LEU          
-SEQRES  10 C  141  THR ALA GLU VAL HIS ALA SER LEU ASP LYS PHE LEU CYS          
-SEQRES  11 C  141  ALA VAL GLY THR VAL LEU THR ALA LYS TYR ARG                  
-SEQRES   1 D  146  VAL HIS TRP SER ALA GLU GLU LYS GLN LEU ILE THR GLY          
-SEQRES   2 D  146  LEU TRP GLY LYS VAL ASN VAL ALA ASP CYS GLY ALA GLU          
-SEQRES   3 D  146  ALA LEU ALA ARG LEU LEU ILE VAL TYR PRO TRP THR GLN          
-SEQRES   4 D  146  ARG PHE PHE SER SER PHE GLY ASN LEU SER SER PRO THR          
-SEQRES   5 D  146  ALA ILE LEU GLY ASN PRO MET VAL ARG ALA HIS GLY LYS          
-SEQRES   6 D  146  LYS VAL LEU THR SER PHE GLY ASP ALA VAL LYS ASN LEU          
-SEQRES   7 D  146  ASP ASN ILE LYS ASN THR PHE ALA GLN LEU SER GLU LEU          
-SEQRES   8 D  146  HIS CYS ASP LYS LEU HIS VAL ASP PRO GLU ASN PHE ARG          
-SEQRES   9 D  146  LEU LEU GLY ASP ILE LEU ILE ILE VAL LEU ALA ALA HIS          
-SEQRES  10 D  146  PHE ALA LYS GLU PHE THR PRO ASP CYS GLN ALA ALA TRP          
-SEQRES  11 D  146  GLN LYS LEU VAL ARG VAL VAL ALA HIS ALA LEU ALA ARG          
-SEQRES  12 D  146  LYS TYR HIS                                                  
-SEQRES   1 E  141  VAL LEU SER ALA ALA ASP LYS THR ASN VAL LYS GLY VAL          
-SEQRES   2 E  141  PHE SER LYS ILE SER GLY HIS ALA GLU GLU TYR GLY ALA          
-SEQRES   3 E  141  GLU THR LEU GLU ARG MET PHE THR ALA TYR PRO GLN THR          
-SEQRES   4 E  141  LYS THR TYR PHE PRO HIS PHE ASP LEU GLN HIS GLY SER          
-SEQRES   5 E  141  ALA GLN ILE LYS ALA HIS GLY LYS LYS VAL VAL ALA ALA          
-SEQRES   6 E  141  LEU VAL GLU ALA VAL ASN HIS ILE ASP ASP ILE ALA GLY          
-SEQRES   7 E  141  ALA LEU SER LYS LEU SER ASP LEU HIS ALA GLN LYS LEU          
-SEQRES   8 E  141  ARG VAL ASP PRO VAL ASN PHE LYS PHE LEU GLY HIS CYS          
-SEQRES   9 E  141  PHE LEU VAL VAL VAL ALA ILE HIS HIS PRO SER ALA LEU          
-SEQRES  10 E  141  THR ALA GLU VAL HIS ALA SER LEU ASP LYS PHE LEU CYS          
-SEQRES  11 E  141  ALA VAL GLY THR VAL LEU THR ALA LYS TYR ARG                  
-SEQRES   1 F  146  VAL HIS TRP SER ALA GLU GLU LYS GLN LEU ILE THR GLY          
-SEQRES   2 F  146  LEU TRP GLY LYS VAL ASN VAL ALA ASP CYS GLY ALA GLU          
-SEQRES   3 F  146  ALA LEU ALA ARG LEU LEU ILE VAL TYR PRO TRP THR GLN          
-SEQRES   4 F  146  ARG PHE PHE SER SER PHE GLY ASN LEU SER SER PRO THR          
-SEQRES   5 F  146  ALA ILE LEU GLY ASN PRO MET VAL ARG ALA HIS GLY LYS          
-SEQRES   6 F  146  LYS VAL LEU THR SER PHE GLY ASP ALA VAL LYS ASN LEU          
-SEQRES   7 F  146  ASP ASN ILE LYS ASN THR PHE ALA GLN LEU SER GLU LEU          
-SEQRES   8 F  146  HIS CYS ASP LYS LEU HIS VAL ASP PRO GLU ASN PHE ARG          
-SEQRES   9 F  146  LEU LEU GLY ASP ILE LEU ILE ILE VAL LEU ALA ALA HIS          
-SEQRES  10 F  146  PHE ALA LYS GLU PHE THR PRO ASP CYS GLN ALA ALA TRP          
-SEQRES  11 F  146  GLN LYS LEU VAL ARG VAL VAL ALA HIS ALA LEU ALA ARG          
-SEQRES  12 F  146  LYS TYR HIS                                                  
-SEQRES   1 G  141  VAL LEU SER ALA ALA ASP LYS THR ASN VAL LYS GLY VAL          
-SEQRES   2 G  141  PHE SER LYS ILE SER GLY HIS ALA GLU GLU TYR GLY ALA          
-SEQRES   3 G  141  GLU THR LEU GLU ARG MET PHE THR ALA TYR PRO GLN THR          
-SEQRES   4 G  141  LYS THR TYR PHE PRO HIS PHE ASP LEU GLN HIS GLY SER          
-SEQRES   5 G  141  ALA GLN ILE LYS ALA HIS GLY LYS LYS VAL VAL ALA ALA          
-SEQRES   6 G  141  LEU VAL GLU ALA VAL ASN HIS ILE ASP ASP ILE ALA GLY          
-SEQRES   7 G  141  ALA LEU SER LYS LEU SER ASP LEU HIS ALA GLN LYS LEU          
-SEQRES   8 G  141  ARG VAL ASP PRO VAL ASN PHE LYS PHE LEU GLY HIS CYS          
-SEQRES   9 G  141  PHE LEU VAL VAL VAL ALA ILE HIS HIS PRO SER ALA LEU          
-SEQRES  10 G  141  THR ALA GLU VAL HIS ALA SER LEU ASP LYS PHE LEU CYS          
-SEQRES  11 G  141  ALA VAL GLY THR VAL LEU THR ALA LYS TYR ARG                  
-SEQRES   1 H  146  VAL HIS TRP SER ALA GLU GLU LYS GLN LEU ILE THR GLY          
-SEQRES   2 H  146  LEU TRP GLY LYS VAL ASN VAL ALA ASP CYS GLY ALA GLU          
-SEQRES   3 H  146  ALA LEU ALA ARG LEU LEU ILE VAL TYR PRO TRP THR GLN          
-SEQRES   4 H  146  ARG PHE PHE SER SER PHE GLY ASN LEU SER SER PRO THR          
-SEQRES   5 H  146  ALA ILE LEU GLY ASN PRO MET VAL ARG ALA HIS GLY LYS          
-SEQRES   6 H  146  LYS VAL LEU THR SER PHE GLY ASP ALA VAL LYS ASN LEU          
-SEQRES   7 H  146  ASP ASN ILE LYS ASN THR PHE ALA GLN LEU SER GLU LEU          
-SEQRES   8 H  146  HIS CYS ASP LYS LEU HIS VAL ASP PRO GLU ASN PHE ARG          
-SEQRES   9 H  146  LEU LEU GLY ASP ILE LEU ILE ILE VAL LEU ALA ALA HIS          
-SEQRES  10 H  146  PHE ALA LYS GLU PHE THR PRO ASP CYS GLN ALA ALA TRP          
-SEQRES  11 H  146  GLN LYS LEU VAL ARG VAL VAL ALA HIS ALA LEU ALA ARG          
-SEQRES  12 H  146  LYS TYR HIS                                                  
-HET    HEM  A 151      43                                                       
-HET    HEM  B 152      43                                                       
-HET    HEM  C 153      43                                                       
-HET    HEM  D 154      43                                                       
-HET    HEM  E 155      43                                                       
-HET    HEM  F 156      43                                                       
-HET    HEM  G 157      43                                                       
-HET    HEM  H 158      43                                                       
-HETNAM     HEM PROTOPORPHYRIN IX CONTAINING FE                                  
-HETSYN     HEM HEME                                                             
-FORMUL   9  HEM    8(C34 H32 FE N4 O4)                                          
-HELIX    1   1 SER A    3  SER A   18  1                                  16    
-HELIX    2   2 HIS A   20  TYR A   36  1                                  17    
-HELIX    3   3 PRO A   37  PHE A   43  5                                   7    
-HELIX    4   4 SER A   52  HIS A   72  1                                  21    
-HELIX    5   5 ASP A   75  SER A   81  1                                   7    
-HELIX    6   6 LEU A   80  GLN A   89  1                                  10    
-HELIX    7   7 ASP A   94  HIS A  113  1                                  20    
-HELIX    8   8 THR A  118  ALA A  138  1                                  21    
-HELIX    9   9 LYS A  139  ARG A  141  5                                   3    
-HELIX   10  10 SER B    4  VAL B   18  1                                  15    
-HELIX   11  11 ASN B   19  TYR B   35  1                                  17    
-HELIX   12  12 PRO B   36  SER B   43  5                                   8    
-HELIX   13  13 PHE B   42  GLY B   46  5                                   5    
-HELIX   14  14 SER B   50  ASN B   57  1                                   8    
-HELIX   15  15 ASN B   57  ASN B   77  1                                  21    
-HELIX   16  16 ASN B   80  ASP B   94  1                                  15    
-HELIX   17  17 ASP B   99  PHE B  118  1                                  20    
-HELIX   18  18 ALA B  119  PHE B  122  5                                   4    
-HELIX   19  19 THR B  123  ARG B  143  1                                  21    
-HELIX   20  20 SER C    3  SER C   18  1                                  16    
-HELIX   21  21 HIS C   20  TYR C   36  1                                  17    
-HELIX   22  22 PRO C   37  PHE C   43  5                                   7    
-HELIX   23  23 SER C   52  HIS C   72  1                                  21    
-HELIX   24  24 ASP C   75  SER C   81  1                                   7    
-HELIX   25  25 LEU C   80  GLN C   89  1                                  10    
-HELIX   26  26 ASP C   94  HIS C  113  1                                  20    
-HELIX   27  27 THR C  118  ALA C  138  1                                  21    
-HELIX   28  28 LYS C  139  ARG C  141  5                                   3    
-HELIX   29  29 SER D    4  VAL D   18  1                                  15    
-HELIX   30  30 ASN D   19  TYR D   35  1                                  17    
-HELIX   31  31 PRO D   36  SER D   43  5                                   8    
-HELIX   32  32 PHE D   42  GLY D   46  5                                   5    
-HELIX   33  33 SER D   50  ASN D   57  1                                   8    
-HELIX   34  34 ASN D   57  ASN D   77  1                                  21    
-HELIX   35  35 ASN D   80  ASP D   94  1                                  15    
-HELIX   36  36 ASP D   99  PHE D  118  1                                  20    
-HELIX   37  37 ALA D  119  PHE D  122  5                                   4    
-HELIX   38  38 THR D  123  ARG D  143  1                                  21    
-HELIX   39  39 SER E    3  SER E   18  1                                  16    
-HELIX   40  40 HIS E   20  TYR E   36  1                                  17    
-HELIX   41  41 PRO E   37  PHE E   43  5                                   7    
-HELIX   42  42 SER E   52  HIS E   72  1                                  21    
-HELIX   43  43 ASP E   75  SER E   81  1                                   7    
-HELIX   44  44 LEU E   80  GLN E   89  1                                  10    
-HELIX   45  45 PRO E   95  HIS E  113  1                                  19    
-HELIX   46  46 THR E  118  ALA E  138  1                                  21    
-HELIX   47  47 LYS E  139  ARG E  141  5                                   3    
-HELIX   48  48 SER F    4  VAL F   18  1                                  15    
-HELIX   49  49 ASN F   19  TYR F   35  1                                  17    
-HELIX   50  50 PRO F   36  SER F   43  5                                   8    
-HELIX   51  51 PHE F   42  GLY F   46  5                                   5    
-HELIX   52  52 SER F   50  ASN F   57  1                                   8    
-HELIX   53  53 ASN F   57  ASN F   77  1                                  21    
-HELIX   54  54 ASN F   80  ASP F   94  1                                  15    
-HELIX   55  55 ASP F   99  PHE F  118  1                                  20    
-HELIX   56  56 ALA F  119  PHE F  122  5                                   4    
-HELIX   57  57 THR F  123  ARG F  143  1                                  21    
-HELIX   58  58 SER G    3  SER G   18  1                                  16    
-HELIX   59  59 HIS G   20  TYR G   36  1                                  17    
-HELIX   60  60 PRO G   37  PHE G   43  5                                   7    
-HELIX   61  61 SER G   52  HIS G   72  1                                  21    
-HELIX   62  62 ASP G   75  SER G   81  1                                   7    
-HELIX   63  63 LEU G   80  GLN G   89  1                                  10    
-HELIX   64  64 ASP G   94  HIS G  113  1                                  20    
-HELIX   65  65 THR G  118  ALA G  138  1                                  21    
-HELIX   66  66 LYS G  139  ARG G  141  5                                   3    
-HELIX   67  67 SER H    4  VAL H   18  1                                  15    
-HELIX   68  68 ASN H   19  TYR H   35  1                                  17    
-HELIX   69  69 PRO H   36  SER H   43  5                                   8    
-HELIX   70  70 PHE H   42  GLY H   46  5                                   5    
-HELIX   71  71 SER H   50  ASN H   57  1                                   8    
-HELIX   72  72 ASN H   57  ASN H   77  1                                  21    
-HELIX   73  73 ASN H   80  ASP H   94  1                                  15    
-HELIX   74  74 ASP H   99  PHE H  118  1                                  20    
-HELIX   75  75 ALA H  119  PHE H  122  5                                   4    
-HELIX   76  76 THR H  123  ARG H  143  1                                  21    
-LINK        FE   HEM A 151                 NE2 HIS A  87     1555   1555  2.33  
-LINK        FE   HEM B 152                 NE2 HIS B  92     1555   1555  2.32  
-LINK        FE   HEM C 153                 NE2 HIS C  87     1555   1555  2.32  
-LINK        FE   HEM D 154                 NE2 HIS D  92     1555   1555  2.44  
-LINK        FE   HEM E 155                 NE2 HIS E  87     1555   1555  2.25  
-LINK        FE   HEM F 156                 NE2 HIS F  92     1555   1555  2.26  
-LINK        FE   HEM G 157                 NE2 HIS G  87     1555   1555  2.31  
-LINK        FE   HEM H 158                 NE2 HIS H  92     1555   1555  2.46  
-SITE     1 AC1 11 TYR A  42  PHE A  43  HIS A  45  PHE A  46                    
-SITE     2 AC1 11 HIS A  58  LYS A  61  HIS A  87  ASN A  97                    
-SITE     3 AC1 11 PHE A  98  LEU A 101  VAL A 132                               
-SITE     1 AC2  8 PHE B  41  PHE B  42  HIS B  63  LYS B  66                    
-SITE     2 AC2  8 SER B  70  HIS B  92  ASN B 102  LEU B 141                    
-SITE     1 AC3 11 TYR C  42  PHE C  43  HIS C  45  PHE C  46                    
-SITE     2 AC3 11 HIS C  58  LYS C  61  HIS C  87  ASN C  97                    
-SITE     3 AC3 11 PHE C  98  LEU C 101  VAL C 132                               
-SITE     1 AC4  9 PHE D  41  PHE D  42  PHE D  45  HIS D  63                    
-SITE     2 AC4  9 LYS D  66  SER D  70  HIS D  92  ASN D 102                    
-SITE     3 AC4  9 LEU D 141                                                     
-SITE     1 AC5 11 TYR E  42  PHE E  43  HIS E  45  PHE E  46                    
-SITE     2 AC5 11 HIS E  58  LYS E  61  HIS E  87  ASN E  97                    
-SITE     3 AC5 11 PHE E  98  LEU E 101  VAL E 132                               
-SITE     1 AC6  9 PHE F  41  PHE F  42  PHE F  45  HIS F  63                    
-SITE     2 AC6  9 LYS F  66  SER F  70  HIS F  92  ASN F 102                    
-SITE     3 AC6  9 LEU F 141                                                     
-SITE     1 AC7 11 TYR G  42  PHE G  43  HIS G  45  PHE G  46                    
-SITE     2 AC7 11 HIS G  58  LYS G  61  HIS G  87  ASN G  97                    
-SITE     3 AC7 11 PHE G  98  LEU G 101  VAL G 132                               
-SITE     1 AC8  9 PHE H  41  PHE H  42  PHE H  45  HIS H  63                    
-SITE     2 AC8  9 LYS H  66  SER H  70  HIS H  92  ASN H 102                    
-SITE     3 AC8  9 LEU H 141                                                     
-CRYST1   70.660   94.100   59.230  71.55  65.10  83.10 P 1           4          
-ORIGX1      1.000000  0.000000  0.000000        0.00000                         
-ORIGX2      0.000000  1.000000  0.000000        0.00000                         
-ORIGX3      0.000000  0.000000  1.000000        0.00000                         
-SCALE1      0.014152 -0.001713 -0.006347        0.00000                         
-SCALE2      0.000000  0.010705 -0.003308        0.00000                         
-SCALE3      0.000000  0.000000  0.019482        0.00000                         
-ATOM      1  N   VAL A   1      50.477  17.846  26.910  1.00 57.45           N  
-ATOM      2  CA  VAL A   1      50.912  18.466  28.201  1.00 52.61           C  
-ATOM      3  C   VAL A   1      50.038  19.679  28.502  1.00 50.42           C  
-ATOM      4  O   VAL A   1      49.618  19.883  29.642  1.00 53.55           O  
-ATOM      5  CB  VAL A   1      52.399  18.949  28.150  1.00 53.04           C  
-ATOM      6  CG1 VAL A   1      53.298  17.855  27.571  1.00 50.41           C  
-ATOM      7  CG2 VAL A   1      52.511  20.232  27.332  1.00 47.60           C  
-ATOM      8  N   LEU A   2      49.784  20.469  27.458  1.00 45.89           N  
-ATOM      9  CA  LEU A   2      48.980  21.694  27.501  1.00 38.97           C  
-ATOM     10  C   LEU A   2      49.686  22.895  28.118  1.00 34.25           C  
-ATOM     11  O   LEU A   2      49.993  22.911  29.309  1.00 30.85           O  
-ATOM     12  CB  LEU A   2      47.648  21.453  28.214  1.00 38.95           C  
-ATOM     13  CG  LEU A   2      46.669  20.540  27.467  1.00 40.03           C  
-ATOM     14  CD1 LEU A   2      45.291  20.647  28.096  1.00 38.73           C  
-ATOM     15  CD2 LEU A   2      46.599  20.941  25.999  1.00 39.53           C  
-ATOM     16  N   SER A   3      49.937  23.903  27.285  1.00 32.40           N  
-ATOM     17  CA  SER A   3      50.607  25.122  27.718  1.00 30.04           C  
-ATOM     18  C   SER A   3      49.711  25.934  28.645  1.00 30.42           C  
-ATOM     19  O   SER A   3      48.611  25.508  29.010  1.00 25.77           O  
-ATOM     20  CB  SER A   3      50.979  25.974  26.505  1.00 24.34           C  
-ATOM     21  OG  SER A   3      49.818  26.451  25.865  1.00 24.23           O  
-ATOM     22  N   ALA A   4      50.188  27.112  29.025  1.00 30.86           N  
-ATOM     23  CA  ALA A   4      49.410  27.975  29.896  1.00 29.28           C  
-ATOM     24  C   ALA A   4      48.228  28.504  29.092  1.00 30.29           C  
-ATOM     25  O   ALA A   4      47.076  28.449  29.545  1.00 30.25           O  
-ATOM     26  CB  ALA A   4      50.265  29.118  30.383  1.00 29.45           C  
-ATOM     27  N   ALA A   5      48.536  28.996  27.890  1.00 26.04           N  
-ATOM     28  CA  ALA A   5      47.547  29.555  26.975  1.00 20.85           C  
-ATOM     29  C   ALA A   5      46.469  28.529  26.643  1.00 21.83           C  
-ATOM     30  O   ALA A   5      45.268  28.802  26.705  1.00 20.72           O  
-ATOM     31  CB  ALA A   5      48.241  30.002  25.699  1.00 21.93           C  
-ATOM     32  N   ASP A   6      46.917  27.343  26.263  1.00 22.80           N  
-ATOM     33  CA  ASP A   6      46.000  26.273  25.918  1.00 24.34           C  
-ATOM     34  C   ASP A   6      45.028  26.051  27.078  1.00 24.35           C  
-ATOM     35  O   ASP A   6      43.815  25.900  26.877  1.00 21.04           O  
-ATOM     36  CB  ASP A   6      46.797  24.997  25.612  1.00 22.63           C  
-ATOM     37  CG  ASP A   6      47.523  25.066  24.292  1.00 16.04           C  
-ATOM     38  OD1 ASP A   6      48.566  24.403  24.149  1.00 15.47           O  
-ATOM     39  OD2 ASP A   6      47.049  25.774  23.386  1.00 12.51           O  
-ATOM     40  N   LYS A   7      45.569  26.047  28.294  1.00 28.21           N  
-ATOM     41  CA  LYS A   7      44.759  25.846  29.490  1.00 27.55           C  
-ATOM     42  C   LYS A   7      43.748  26.979  29.626  1.00 27.29           C  
-ATOM     43  O   LYS A   7      42.566  26.753  29.914  1.00 24.72           O  
-ATOM     44  CB  LYS A   7      45.631  25.827  30.748  1.00 30.11           C  
-ATOM     45  CG  LYS A   7      46.562  24.640  30.918  1.00 30.25           C  
-ATOM     46  CD  LYS A   7      47.011  24.542  32.380  1.00 34.50           C  
-ATOM     47  CE  LYS A   7      48.220  23.636  32.583  1.00 31.81           C  
-ATOM     48  NZ  LYS A   7      49.448  24.278  32.052  1.00 35.03           N  
-ATOM     49  N   THR A   8      44.227  28.202  29.427  1.00 24.56           N  
-ATOM     50  CA  THR A   8      43.381  29.381  29.532  1.00 25.51           C  
-ATOM     51  C   THR A   8      42.229  29.356  28.534  1.00 25.51           C  
-ATOM     52  O   THR A   8      41.071  29.617  28.888  1.00 26.72           O  
-ATOM     53  CB  THR A   8      44.202  30.654  29.320  1.00 26.37           C  
-ATOM     54  OG1 THR A   8      45.192  30.749  30.349  1.00 29.48           O  
-ATOM     55  CG2 THR A   8      43.313  31.880  29.367  1.00 26.28           C  
-ATOM     56  N   ASN A   9      42.544  29.039  27.286  1.00 23.99           N  
-ATOM     57  CA  ASN A   9      41.517  28.984  26.260  1.00 21.07           C  
-ATOM     58  C   ASN A   9      40.513  27.899  26.580  1.00 19.12           C  
-ATOM     59  O   ASN A   9      39.317  28.130  26.515  1.00 16.83           O  
-ATOM     60  CB  ASN A   9      42.132  28.731  24.886  1.00 23.47           C  
-ATOM     61  CG  ASN A   9      43.009  29.871  24.424  1.00 23.16           C  
-ATOM     62  OD1 ASN A   9      43.395  29.935  23.262  1.00 29.61           O  
-ATOM     63  ND2 ASN A   9      43.336  30.772  25.332  1.00 22.82           N  
-ATOM     64  N   VAL A  10      40.999  26.711  26.921  1.00 22.46           N  
-ATOM     65  CA  VAL A  10      40.104  25.608  27.264  1.00 25.42           C  
-ATOM     66  C   VAL A  10      39.140  26.069  28.368  1.00 25.54           C  
-ATOM     67  O   VAL A  10      37.921  25.940  28.240  1.00 22.53           O  
-ATOM     68  CB  VAL A  10      40.903  24.367  27.757  1.00 27.70           C  
-ATOM     69  CG1 VAL A  10      39.946  23.288  28.264  1.00 20.84           C  
-ATOM     70  CG2 VAL A  10      41.771  23.821  26.620  1.00 23.56           C  
-ATOM     71  N   LYS A  11      39.692  26.617  29.445  1.00 24.68           N  
-ATOM     72  CA  LYS A  11      38.871  27.096  30.538  1.00 24.50           C  
-ATOM     73  C   LYS A  11      37.845  28.095  30.033  1.00 25.15           C  
-ATOM     74  O   LYS A  11      36.668  28.022  30.386  1.00 23.71           O  
-ATOM     75  CB  LYS A  11      39.745  27.746  31.607  1.00 26.20           C  
-ATOM     76  CG  LYS A  11      40.299  26.772  32.641  1.00 28.66           C  
-ATOM     77  CD  LYS A  11      41.328  27.459  33.522  1.00 33.89           C  
-ATOM     78  CE  LYS A  11      41.718  26.596  34.699  1.00 39.44           C  
-ATOM     79  NZ  LYS A  11      40.516  26.250  35.519  1.00 44.73           N  
-ATOM     80  N   GLY A  12      38.295  29.025  29.198  1.00 26.37           N  
-ATOM     81  CA  GLY A  12      37.395  30.033  28.660  1.00 23.23           C  
-ATOM     82  C   GLY A  12      36.149  29.486  27.985  1.00 24.14           C  
-ATOM     83  O   GLY A  12      35.034  29.756  28.415  1.00 26.48           O  
-ATOM     84  N   VAL A  13      36.333  28.705  26.927  1.00 27.32           N  
-ATOM     85  CA  VAL A  13      35.212  28.146  26.173  1.00 24.83           C  
-ATOM     86  C   VAL A  13      34.346  27.220  27.024  1.00 22.72           C  
-ATOM     87  O   VAL A  13      33.168  26.973  26.727  1.00 18.59           O  
-ATOM     88  CB  VAL A  13      35.719  27.401  24.908  1.00 19.49           C  
-ATOM     89  CG1 VAL A  13      36.656  26.279  25.311  1.00 18.94           C  
-ATOM     90  CG2 VAL A  13      34.541  26.879  24.099  1.00 16.54           C  
-ATOM     91  N   PHE A  14      34.922  26.700  28.092  1.00 21.82           N  
-ATOM     92  CA  PHE A  14      34.136  25.838  28.947  1.00 25.83           C  
-ATOM     93  C   PHE A  14      33.277  26.692  29.866  1.00 26.11           C  
-ATOM     94  O   PHE A  14      32.233  26.244  30.342  1.00 28.56           O  
-ATOM     95  CB  PHE A  14      35.044  24.898  29.743  1.00 26.79           C  
-ATOM     96  CG  PHE A  14      35.153  23.531  29.140  1.00 28.90           C  
-ATOM     97  CD1 PHE A  14      34.204  22.555  29.425  1.00 25.22           C  
-ATOM     98  CD2 PHE A  14      36.155  23.243  28.206  1.00 34.11           C  
-ATOM     99  CE1 PHE A  14      34.246  21.317  28.785  1.00 26.48           C  
-ATOM    100  CE2 PHE A  14      36.205  22.005  27.557  1.00 25.81           C  
-ATOM    101  CZ  PHE A  14      35.248  21.045  27.849  1.00 28.00           C  
-ATOM    102  N   SER A  15      33.711  27.927  30.102  1.00 23.55           N  
-ATOM    103  CA  SER A  15      32.955  28.831  30.957  1.00 19.17           C  
-ATOM    104  C   SER A  15      31.663  29.185  30.236  1.00 19.77           C  
-ATOM    105  O   SER A  15      30.622  29.329  30.863  1.00 18.15           O  
-ATOM    106  CB  SER A  15      33.754  30.110  31.260  1.00 18.91           C  
-ATOM    107  OG  SER A  15      33.798  30.995  30.148  1.00 26.82           O  
-ATOM    108  N   LYS A  16      31.731  29.316  28.912  1.00 21.46           N  
-ATOM    109  CA  LYS A  16      30.550  29.665  28.126  1.00 20.05           C  
-ATOM    110  C   LYS A  16      29.570  28.512  27.979  1.00 22.01           C  
-ATOM    111  O   LYS A  16      28.365  28.735  27.833  1.00 25.19           O  
-ATOM    112  CB  LYS A  16      30.926  30.141  26.719  1.00 12.85           C  
-ATOM    113  CG  LYS A  16      31.390  31.570  26.606  1.00 14.69           C  
-ATOM    114  CD  LYS A  16      32.888  31.699  26.766  1.00 16.42           C  
-ATOM    115  CE  LYS A  16      33.385  32.986  26.129  1.00  9.74           C  
-ATOM    116  NZ  LYS A  16      34.855  33.030  26.230  1.00  7.36           N  
-ATOM    117  N   ILE A  17      30.064  27.279  28.001  1.00 20.47           N  
-ATOM    118  CA  ILE A  17      29.145  26.177  27.823  1.00 25.99           C  
-ATOM    119  C   ILE A  17      28.678  25.620  29.133  1.00 31.49           C  
-ATOM    120  O   ILE A  17      27.660  24.928  29.176  1.00 33.61           O  
-ATOM    121  CB  ILE A  17      29.740  25.025  26.988  1.00 24.24           C  
-ATOM    122  CG1 ILE A  17      30.864  24.351  27.759  1.00 21.85           C  
-ATOM    123  CG2 ILE A  17      30.220  25.550  25.635  1.00 26.30           C  
-ATOM    124  CD1 ILE A  17      31.332  23.081  27.119  1.00 12.06           C  
-ATOM    125  N   SER A  18      29.409  25.910  30.206  1.00 37.32           N  
-ATOM    126  CA  SER A  18      28.999  25.411  31.518  1.00 44.29           C  
-ATOM    127  C   SER A  18      27.521  25.775  31.677  1.00 45.75           C  
-ATOM    128  O   SER A  18      27.068  26.833  31.206  1.00 50.63           O  
-ATOM    129  CB  SER A  18      29.824  26.051  32.647  1.00 47.77           C  
-ATOM    130  OG  SER A  18      29.442  27.402  32.892  1.00 53.95           O  
-ATOM    131  N   GLY A  19      26.766  24.903  32.330  1.00 38.99           N  
-ATOM    132  CA  GLY A  19      25.355  25.172  32.482  1.00 35.34           C  
-ATOM    133  C   GLY A  19      24.610  24.686  31.251  1.00 33.45           C  
-ATOM    134  O   GLY A  19      23.547  25.187  30.911  1.00 32.01           O  
-ATOM    135  N   HIS A  20      25.171  23.698  30.570  1.00 33.13           N  
-ATOM    136  CA  HIS A  20      24.526  23.149  29.387  1.00 35.99           C  
-ATOM    137  C   HIS A  20      24.930  21.700  29.188  1.00 35.04           C  
-ATOM    138  O   HIS A  20      24.571  21.079  28.183  1.00 34.68           O  
-ATOM    139  CB  HIS A  20      24.898  23.969  28.154  1.00 42.15           C  
-ATOM    140  CG  HIS A  20      24.219  25.298  28.092  1.00 47.63           C  
-ATOM    141  ND1 HIS A  20      22.855  25.426  27.930  1.00 50.51           N  
-ATOM    142  CD2 HIS A  20      24.707  26.557  28.200  1.00 48.70           C  
-ATOM    143  CE1 HIS A  20      22.533  26.709  27.942  1.00 51.32           C  
-ATOM    144  NE2 HIS A  20      23.638  27.415  28.105  1.00 49.98           N  
-ATOM    145  N   ALA A  21      25.679  21.168  30.153  1.00 31.92           N  
-ATOM    146  CA  ALA A  21      26.125  19.786  30.091  1.00 29.17           C  
-ATOM    147  C   ALA A  21      24.977  18.938  29.552  1.00 29.57           C  
-ATOM    148  O   ALA A  21      25.048  18.407  28.448  1.00 31.06           O  
-ATOM    149  CB  ALA A  21      26.539  19.306  31.479  1.00 26.01           C  
-ATOM    150  N   GLU A  22      23.907  18.846  30.329  1.00 30.88           N  
-ATOM    151  CA  GLU A  22      22.733  18.076  29.953  1.00 30.25           C  
-ATOM    152  C   GLU A  22      22.406  18.221  28.470  1.00 30.11           C  
-ATOM    153  O   GLU A  22      22.410  17.248  27.724  1.00 27.45           O  
-ATOM    154  CB  GLU A  22      21.549  18.537  30.808  1.00 36.15           C  
-ATOM    155  CG  GLU A  22      20.162  18.062  30.370  1.00 40.29           C  
-ATOM    156  CD  GLU A  22      19.850  16.658  30.813  1.00 43.42           C  
-ATOM    157  OE1 GLU A  22      20.181  16.322  31.975  1.00 51.33           O  
-ATOM    158  OE2 GLU A  22      19.260  15.900  30.010  1.00 41.13           O  
-ATOM    159  N   GLU A  23      22.156  19.451  28.041  1.00 35.80           N  
-ATOM    160  CA  GLU A  23      21.779  19.727  26.655  1.00 37.27           C  
-ATOM    161  C   GLU A  23      22.812  19.406  25.573  1.00 33.77           C  
-ATOM    162  O   GLU A  23      22.506  18.711  24.596  1.00 30.68           O  
-ATOM    163  CB  GLU A  23      21.344  21.189  26.527  1.00 43.04           C  
-ATOM    164  CG  GLU A  23      20.848  21.561  25.133  1.00 53.57           C  
-ATOM    165  CD  GLU A  23      20.479  23.035  25.006  1.00 56.88           C  
-ATOM    166  OE1 GLU A  23      20.271  23.498  23.859  1.00 58.07           O  
-ATOM    167  OE2 GLU A  23      20.393  23.723  26.052  1.00 59.26           O  
-ATOM    168  N   TYR A  24      24.025  19.920  25.738  1.00 31.39           N  
-ATOM    169  CA  TYR A  24      25.092  19.695  24.768  1.00 27.33           C  
-ATOM    170  C   TYR A  24      25.553  18.233  24.704  1.00 26.35           C  
-ATOM    171  O   TYR A  24      25.659  17.650  23.620  1.00 17.83           O  
-ATOM    172  CB  TYR A  24      26.263  20.627  25.095  1.00 25.47           C  
-ATOM    173  CG  TYR A  24      25.884  22.086  24.980  1.00 25.27           C  
-ATOM    174  CD1 TYR A  24      26.766  23.098  25.372  1.00 24.79           C  
-ATOM    175  CD2 TYR A  24      24.639  22.456  24.458  1.00 22.05           C  
-ATOM    176  CE1 TYR A  24      26.418  24.438  25.241  1.00 23.31           C  
-ATOM    177  CE2 TYR A  24      24.282  23.779  24.332  1.00 20.83           C  
-ATOM    178  CZ  TYR A  24      25.170  24.767  24.719  1.00 26.58           C  
-ATOM    179  OH  TYR A  24      24.799  26.083  24.570  1.00 33.14           O  
-ATOM    180  N   GLY A  25      25.812  17.644  25.872  1.00 28.40           N  
-ATOM    181  CA  GLY A  25      26.247  16.260  25.921  1.00 25.02           C  
-ATOM    182  C   GLY A  25      25.295  15.389  25.125  1.00 26.30           C  
-ATOM    183  O   GLY A  25      25.710  14.541  24.335  1.00 24.39           O  
-ATOM    184  N   ALA A  26      24.000  15.606  25.332  1.00 27.21           N  
-ATOM    185  CA  ALA A  26      22.988  14.836  24.633  1.00 24.34           C  
-ATOM    186  C   ALA A  26      23.097  15.065  23.136  1.00 23.65           C  
-ATOM    187  O   ALA A  26      22.874  14.148  22.347  1.00 26.28           O  
-ATOM    188  CB  ALA A  26      21.616  15.229  25.116  1.00 16.31           C  
-ATOM    189  N   GLU A  27      23.451  16.288  22.746  1.00 23.57           N  
-ATOM    190  CA  GLU A  27      23.568  16.625  21.326  1.00 23.01           C  
-ATOM    191  C   GLU A  27      24.813  16.038  20.655  1.00 17.73           C  
-ATOM    192  O   GLU A  27      24.750  15.518  19.545  1.00 13.83           O  
-ATOM    193  CB  GLU A  27      23.569  18.140  21.138  1.00 26.10           C  
-ATOM    194  CG  GLU A  27      22.810  18.581  19.902  1.00 29.25           C  
-ATOM    195  CD  GLU A  27      23.261  19.918  19.387  1.00 31.78           C  
-ATOM    196  OE1 GLU A  27      23.226  20.908  20.151  1.00 37.57           O  
-ATOM    197  OE2 GLU A  27      23.656  19.969  18.207  1.00 32.21           O  
-ATOM    198  N   THR A  28      25.949  16.106  21.326  1.00 10.56           N  
-ATOM    199  CA  THR A  28      27.139  15.574  20.716  1.00 11.39           C  
-ATOM    200  C   THR A  28      26.996  14.066  20.544  1.00 11.82           C  
-ATOM    201  O   THR A  28      27.455  13.500  19.555  1.00 13.03           O  
-ATOM    202  CB  THR A  28      28.397  15.873  21.556  1.00 12.27           C  
-ATOM    203  OG1 THR A  28      28.686  14.752  22.381  1.00 18.43           O  
-ATOM    204  CG2 THR A  28      28.188  17.076  22.445  1.00  9.11           C  
-ATOM    205  N   LEU A  29      26.365  13.411  21.510  1.00 14.22           N  
-ATOM    206  CA  LEU A  29      26.181  11.964  21.444  1.00 16.64           C  
-ATOM    207  C   LEU A  29      25.314  11.578  20.267  1.00 16.17           C  
-ATOM    208  O   LEU A  29      25.643  10.661  19.515  1.00 15.19           O  
-ATOM    209  CB  LEU A  29      25.530  11.423  22.720  1.00 18.85           C  
-ATOM    210  CG  LEU A  29      26.437  11.253  23.925  1.00 21.98           C  
-ATOM    211  CD1 LEU A  29      25.649  10.650  25.070  1.00 24.39           C  
-ATOM    212  CD2 LEU A  29      27.597  10.351  23.550  1.00 20.43           C  
-ATOM    213  N   GLU A  30      24.209  12.292  20.109  1.00 16.72           N  
-ATOM    214  CA  GLU A  30      23.276  12.005  19.037  1.00 22.14           C  
-ATOM    215  C   GLU A  30      23.879  12.265  17.660  1.00 23.13           C  
-ATOM    216  O   GLU A  30      23.527  11.602  16.681  1.00 21.80           O  
-ATOM    217  CB  GLU A  30      22.006  12.824  19.226  1.00 26.18           C  
-ATOM    218  CG  GLU A  30      20.836  12.305  18.425  1.00 37.60           C  
-ATOM    219  CD  GLU A  30      19.617  13.178  18.581  1.00 45.16           C  
-ATOM    220  OE1 GLU A  30      19.280  13.490  19.754  1.00 45.77           O  
-ATOM    221  OE2 GLU A  30      19.011  13.543  17.534  1.00 45.74           O  
-ATOM    222  N   ARG A  31      24.780  13.237  17.585  1.00 22.33           N  
-ATOM    223  CA  ARG A  31      25.440  13.551  16.329  1.00 21.89           C  
-ATOM    224  C   ARG A  31      26.473  12.459  16.029  1.00 21.39           C  
-ATOM    225  O   ARG A  31      26.718  12.106  14.873  1.00 16.03           O  
-ATOM    226  CB  ARG A  31      26.117  14.921  16.428  1.00 24.38           C  
-ATOM    227  CG  ARG A  31      25.125  16.065  16.446  1.00 26.24           C  
-ATOM    228  CD  ARG A  31      25.769  17.438  16.400  1.00 21.56           C  
-ATOM    229  NE  ARG A  31      24.751  18.449  16.108  1.00 25.88           N  
-ATOM    230  CZ  ARG A  31      24.281  18.712  14.889  1.00 25.96           C  
-ATOM    231  NH1 ARG A  31      24.744  18.047  13.834  1.00 24.91           N  
-ATOM    232  NH2 ARG A  31      23.336  19.630  14.721  1.00 17.84           N  
-ATOM    233  N   MET A  32      27.070  11.918  17.089  1.00 23.82           N  
-ATOM    234  CA  MET A  32      28.065  10.864  16.946  1.00 20.64           C  
-ATOM    235  C   MET A  32      27.422   9.610  16.389  1.00 17.65           C  
-ATOM    236  O   MET A  32      27.929   9.032  15.435  1.00 15.00           O  
-ATOM    237  CB  MET A  32      28.721  10.537  18.292  1.00 19.51           C  
-ATOM    238  CG  MET A  32      29.776   9.432  18.179  1.00 23.15           C  
-ATOM    239  SD  MET A  32      30.793   9.225  19.657  1.00 24.42           S  
-ATOM    240  CE  MET A  32      29.859   8.062  20.552  1.00 19.87           C  
-ATOM    241  N   PHE A  33      26.308   9.191  16.990  1.00 17.25           N  
-ATOM    242  CA  PHE A  33      25.614   7.993  16.530  1.00 17.53           C  
-ATOM    243  C   PHE A  33      25.066   8.181  15.124  1.00 17.65           C  
-ATOM    244  O   PHE A  33      24.972   7.234  14.348  1.00 18.93           O  
-ATOM    245  CB  PHE A  33      24.459   7.620  17.472  1.00 10.13           C  
-ATOM    246  CG  PHE A  33      24.897   7.305  18.866  1.00 14.79           C  
-ATOM    247  CD1 PHE A  33      25.986   6.466  19.091  1.00 16.24           C  
-ATOM    248  CD2 PHE A  33      24.213   7.830  19.963  1.00 12.94           C  
-ATOM    249  CE1 PHE A  33      26.397   6.146  20.390  1.00 19.20           C  
-ATOM    250  CE2 PHE A  33      24.611   7.521  21.266  1.00 19.70           C  
-ATOM    251  CZ  PHE A  33      25.708   6.673  21.482  1.00 19.72           C  
-ATOM    252  N   THR A  34      24.717   9.414  14.794  1.00 18.67           N  
-ATOM    253  CA  THR A  34      24.145   9.714  13.494  1.00 23.46           C  
-ATOM    254  C   THR A  34      25.144   9.811  12.336  1.00 27.13           C  
-ATOM    255  O   THR A  34      24.826   9.442  11.201  1.00 24.37           O  
-ATOM    256  CB  THR A  34      23.354  11.018  13.555  1.00 25.11           C  
-ATOM    257  OG1 THR A  34      22.299  10.888  14.515  1.00 23.35           O  
-ATOM    258  CG2 THR A  34      22.780  11.351  12.174  1.00 32.76           C  
-ATOM    259  N   ALA A  35      26.344  10.312  12.623  1.00 26.64           N  
-ATOM    260  CA  ALA A  35      27.371  10.461  11.602  1.00 26.66           C  
-ATOM    261  C   ALA A  35      28.419   9.335  11.631  1.00 30.11           C  
-ATOM    262  O   ALA A  35      29.082   9.062  10.625  1.00 35.87           O  
-ATOM    263  CB  ALA A  35      28.044  11.813  11.757  1.00 23.05           C  
-ATOM    264  N   TYR A  36      28.579   8.699  12.787  1.00 28.12           N  
-ATOM    265  CA  TYR A  36      29.527   7.602  12.947  1.00 29.27           C  
-ATOM    266  C   TYR A  36      28.757   6.450  13.572  1.00 32.56           C  
-ATOM    267  O   TYR A  36      29.083   5.988  14.671  1.00 33.84           O  
-ATOM    268  CB  TYR A  36      30.673   8.011  13.870  1.00 28.34           C  
-ATOM    269  CG  TYR A  36      31.476   9.167  13.343  1.00 25.25           C  
-ATOM    270  CD1 TYR A  36      31.363  10.430  13.908  1.00 28.75           C  
-ATOM    271  CD2 TYR A  36      32.310   9.010  12.242  1.00 23.74           C  
-ATOM    272  CE1 TYR A  36      32.063  11.519  13.385  1.00 31.03           C  
-ATOM    273  CE2 TYR A  36      33.013  10.085  11.707  1.00 26.68           C  
-ATOM    274  CZ  TYR A  36      32.888  11.341  12.283  1.00 28.97           C  
-ATOM    275  OH  TYR A  36      33.588  12.415  11.772  1.00 25.88           O  
-ATOM    276  N   PRO A  37      27.727   5.961  12.862  1.00 32.61           N  
-ATOM    277  CA  PRO A  37      26.841   4.863  13.276  1.00 29.28           C  
-ATOM    278  C   PRO A  37      27.510   3.636  13.908  1.00 29.51           C  
-ATOM    279  O   PRO A  37      26.977   3.029  14.842  1.00 35.60           O  
-ATOM    280  CB  PRO A  37      26.094   4.523  11.985  1.00 27.20           C  
-ATOM    281  CG  PRO A  37      27.072   4.917  10.916  1.00 26.59           C  
-ATOM    282  CD  PRO A  37      27.577   6.234  11.420  1.00 27.40           C  
-ATOM    283  N   GLN A  38      28.674   3.265  13.404  1.00 25.27           N  
-ATOM    284  CA  GLN A  38      29.361   2.112  13.936  1.00 22.44           C  
-ATOM    285  C   GLN A  38      29.687   2.282  15.417  1.00 20.99           C  
-ATOM    286  O   GLN A  38      29.958   1.309  16.119  1.00 22.84           O  
-ATOM    287  CB  GLN A  38      30.641   1.845  13.135  1.00 28.18           C  
-ATOM    288  CG  GLN A  38      31.718   2.927  13.229  1.00 32.23           C  
-ATOM    289  CD  GLN A  38      31.546   4.063  12.222  1.00 35.41           C  
-ATOM    290  OE1 GLN A  38      32.422   4.913  12.095  1.00 38.67           O  
-ATOM    291  NE2 GLN A  38      30.424   4.083  11.509  1.00 34.54           N  
-ATOM    292  N   THR A  39      29.661   3.512  15.909  1.00 20.05           N  
-ATOM    293  CA  THR A  39      29.977   3.713  17.317  1.00 21.92           C  
-ATOM    294  C   THR A  39      28.855   3.162  18.187  1.00 22.77           C  
-ATOM    295  O   THR A  39      29.025   2.999  19.392  1.00 23.77           O  
-ATOM    296  CB  THR A  39      30.202   5.216  17.654  1.00 20.44           C  
-ATOM    297  OG1 THR A  39      29.022   5.962  17.345  1.00 25.49           O  
-ATOM    298  CG2 THR A  39      31.358   5.784  16.848  1.00 17.83           C  
-ATOM    299  N   LYS A  40      27.712   2.874  17.564  1.00 22.78           N  
-ATOM    300  CA  LYS A  40      26.540   2.348  18.272  1.00 25.23           C  
-ATOM    301  C   LYS A  40      26.901   1.052  18.992  1.00 23.20           C  
-ATOM    302  O   LYS A  40      26.479   0.794  20.126  1.00 19.83           O  
-ATOM    303  CB  LYS A  40      25.406   2.093  17.272  1.00 25.97           C  
-ATOM    304  CG  LYS A  40      24.693   3.342  16.757  1.00 19.32           C  
-ATOM    305  CD  LYS A  40      24.016   3.039  15.444  1.00 20.39           C  
-ATOM    306  CE  LYS A  40      23.068   4.134  15.048  1.00 29.79           C  
-ATOM    307  NZ  LYS A  40      21.983   4.268  16.065  1.00 33.90           N  
-ATOM    308  N   THR A  41      27.685   0.247  18.290  1.00 25.41           N  
-ATOM    309  CA  THR A  41      28.198  -1.030  18.762  1.00 24.17           C  
-ATOM    310  C   THR A  41      28.549  -1.069  20.243  1.00 25.85           C  
-ATOM    311  O   THR A  41      28.504  -2.133  20.868  1.00 29.19           O  
-ATOM    312  CB  THR A  41      29.449  -1.385  17.965  1.00 24.81           C  
-ATOM    313  OG1 THR A  41      29.063  -2.031  16.748  1.00 30.40           O  
-ATOM    314  CG2 THR A  41      30.379  -2.265  18.769  1.00 29.89           C  
-ATOM    315  N   TYR A  42      28.905   0.081  20.807  1.00 22.88           N  
-ATOM    316  CA  TYR A  42      29.276   0.139  22.213  1.00 20.75           C  
-ATOM    317  C   TYR A  42      28.109   0.361  23.155  1.00 22.45           C  
-ATOM    318  O   TYR A  42      28.290   0.301  24.368  1.00 18.40           O  
-ATOM    319  CB  TYR A  42      30.321   1.232  22.434  1.00 21.92           C  
-ATOM    320  CG  TYR A  42      31.707   0.918  21.878  1.00 23.20           C  
-ATOM    321  CD1 TYR A  42      32.713   0.393  22.700  1.00 22.80           C  
-ATOM    322  CD2 TYR A  42      32.019   1.175  20.542  1.00 21.06           C  
-ATOM    323  CE1 TYR A  42      33.987   0.143  22.203  1.00 21.65           C  
-ATOM    324  CE2 TYR A  42      33.284   0.925  20.039  1.00 15.96           C  
-ATOM    325  CZ  TYR A  42      34.263   0.413  20.869  1.00 19.85           C  
-ATOM    326  OH  TYR A  42      35.527   0.184  20.365  1.00 19.86           O  
-ATOM    327  N   PHE A  43      26.918   0.623  22.614  1.00 28.48           N  
-ATOM    328  CA  PHE A  43      25.748   0.842  23.474  1.00 35.87           C  
-ATOM    329  C   PHE A  43      24.541  -0.014  23.081  1.00 38.70           C  
-ATOM    330  O   PHE A  43      23.466   0.517  22.798  1.00 42.97           O  
-ATOM    331  CB  PHE A  43      25.325   2.323  23.469  1.00 29.91           C  
-ATOM    332  CG  PHE A  43      26.438   3.277  23.784  1.00 25.13           C  
-ATOM    333  CD1 PHE A  43      27.329   3.678  22.790  1.00 24.91           C  
-ATOM    334  CD2 PHE A  43      26.612   3.762  25.075  1.00 20.45           C  
-ATOM    335  CE1 PHE A  43      28.379   4.547  23.080  1.00 16.88           C  
-ATOM    336  CE2 PHE A  43      27.662   4.633  25.374  1.00 16.77           C  
-ATOM    337  CZ  PHE A  43      28.545   5.024  24.376  1.00 12.56           C  
-ATOM    338  N   PRO A  44      24.695  -1.347  23.073  1.00 39.47           N  
-ATOM    339  CA  PRO A  44      23.552  -2.184  22.700  1.00 37.85           C  
-ATOM    340  C   PRO A  44      22.427  -1.958  23.684  1.00 36.14           C  
-ATOM    341  O   PRO A  44      21.253  -1.991  23.314  1.00 39.21           O  
-ATOM    342  CB  PRO A  44      24.104  -3.606  22.802  1.00 40.03           C  
-ATOM    343  CG  PRO A  44      25.608  -3.421  22.646  1.00 38.03           C  
-ATOM    344  CD  PRO A  44      25.842  -2.179  23.468  1.00 41.95           C  
-ATOM    345  N   HIS A  45      22.801  -1.699  24.933  1.00 31.03           N  
-ATOM    346  CA  HIS A  45      21.825  -1.486  25.979  1.00 34.65           C  
-ATOM    347  C   HIS A  45      21.277  -0.080  26.068  1.00 38.55           C  
-ATOM    348  O   HIS A  45      20.699   0.291  27.091  1.00 42.81           O  
-ATOM    349  CB  HIS A  45      22.427  -1.858  27.317  1.00 37.84           C  
-ATOM    350  CG  HIS A  45      23.617  -1.034  27.679  1.00 42.35           C  
-ATOM    351  ND1 HIS A  45      24.681  -0.854  26.822  1.00 41.31           N  
-ATOM    352  CD2 HIS A  45      23.917  -0.347  28.808  1.00 44.68           C  
-ATOM    353  CE1 HIS A  45      25.587  -0.092  27.411  1.00 44.89           C  
-ATOM    354  NE2 HIS A  45      25.148   0.229  28.617  1.00 40.58           N  
-ATOM    355  N   PHE A  46      21.446   0.710  25.015  1.00 39.40           N  
-ATOM    356  CA  PHE A  46      20.939   2.074  25.053  1.00 38.27           C  
-ATOM    357  C   PHE A  46      19.741   2.362  24.165  1.00 41.27           C  
-ATOM    358  O   PHE A  46      19.596   1.803  23.072  1.00 42.00           O  
-ATOM    359  CB  PHE A  46      22.042   3.071  24.709  1.00 32.06           C  
-ATOM    360  CG  PHE A  46      22.755   3.623  25.903  1.00 30.58           C  
-ATOM    361  CD1 PHE A  46      23.266   4.916  25.878  1.00 25.38           C  
-ATOM    362  CD2 PHE A  46      22.950   2.844  27.044  1.00 30.83           C  
-ATOM    363  CE1 PHE A  46      23.968   5.428  26.975  1.00 27.14           C  
-ATOM    364  CE2 PHE A  46      23.652   3.345  28.144  1.00 25.72           C  
-ATOM    365  CZ  PHE A  46      24.163   4.638  28.108  1.00 22.81           C  
-ATOM    366  N   ASP A  47      18.892   3.249  24.676  1.00 43.95           N  
-ATOM    367  CA  ASP A  47      17.686   3.743  24.012  1.00 44.31           C  
-ATOM    368  C   ASP A  47      18.268   4.821  23.086  1.00 43.76           C  
-ATOM    369  O   ASP A  47      18.558   5.939  23.526  1.00 42.53           O  
-ATOM    370  CB  ASP A  47      16.760   4.363  25.088  1.00 46.53           C  
-ATOM    371  CG  ASP A  47      15.410   4.810  24.546  1.00 48.84           C  
-ATOM    372  OD1 ASP A  47      15.298   5.938  24.017  1.00 51.12           O  
-ATOM    373  OD2 ASP A  47      14.445   4.027  24.657  1.00 54.26           O  
-ATOM    374  N   LEU A  48      18.462   4.486  21.814  1.00 44.31           N  
-ATOM    375  CA  LEU A  48      19.059   5.440  20.875  1.00 47.08           C  
-ATOM    376  C   LEU A  48      18.123   6.394  20.117  1.00 49.86           C  
-ATOM    377  O   LEU A  48      18.588   7.242  19.350  1.00 48.36           O  
-ATOM    378  CB  LEU A  48      19.965   4.686  19.890  1.00 43.73           C  
-ATOM    379  CG  LEU A  48      21.470   4.690  20.238  1.00 42.88           C  
-ATOM    380  CD1 LEU A  48      21.685   4.527  21.736  1.00 38.32           C  
-ATOM    381  CD2 LEU A  48      22.184   3.588  19.466  1.00 38.58           C  
-ATOM    382  N   GLN A  49      16.817   6.265  20.336  1.00 53.35           N  
-ATOM    383  CA  GLN A  49      15.845   7.144  19.688  1.00 55.44           C  
-ATOM    384  C   GLN A  49      16.139   8.585  20.113  1.00 56.57           C  
-ATOM    385  O   GLN A  49      16.310   8.875  21.308  1.00 57.36           O  
-ATOM    386  CB  GLN A  49      14.400   6.759  20.081  1.00 58.24           C  
-ATOM    387  CG  GLN A  49      14.273   5.900  21.352  1.00 60.06           C  
-ATOM    388  CD  GLN A  49      14.705   4.446  21.132  1.00 61.35           C  
-ATOM    389  OE1 GLN A  49      15.462   3.868  21.926  1.00 56.84           O  
-ATOM    390  NE2 GLN A  49      14.218   3.849  20.050  1.00 63.28           N  
-ATOM    391  N   HIS A  50      16.210   9.477  19.129  1.00 53.84           N  
-ATOM    392  CA  HIS A  50      16.490  10.887  19.373  1.00 51.22           C  
-ATOM    393  C   HIS A  50      15.860  11.436  20.652  1.00 47.70           C  
-ATOM    394  O   HIS A  50      14.669  11.250  20.900  1.00 43.08           O  
-ATOM    395  CB  HIS A  50      16.030  11.720  18.175  1.00 54.35           C  
-ATOM    396  CG  HIS A  50      15.771  13.159  18.504  1.00 63.25           C  
-ATOM    397  ND1 HIS A  50      16.618  13.910  19.295  1.00 66.44           N  
-ATOM    398  CD2 HIS A  50      14.762  13.989  18.146  1.00 64.83           C  
-ATOM    399  CE1 HIS A  50      16.141  15.137  19.411  1.00 63.21           C  
-ATOM    400  NE2 HIS A  50      15.016  15.212  18.723  1.00 66.06           N  
-ATOM    401  N   GLY A  51      16.677  12.108  21.461  1.00 46.50           N  
-ATOM    402  CA  GLY A  51      16.188  12.703  22.694  1.00 48.15           C  
-ATOM    403  C   GLY A  51      15.840  11.738  23.814  1.00 48.28           C  
-ATOM    404  O   GLY A  51      15.076  12.083  24.714  1.00 47.33           O  
-ATOM    405  N   SER A  52      16.406  10.535  23.775  1.00 50.15           N  
-ATOM    406  CA  SER A  52      16.139   9.533  24.811  1.00 50.75           C  
-ATOM    407  C   SER A  52      16.664   9.980  26.177  1.00 46.72           C  
-ATOM    408  O   SER A  52      17.608  10.770  26.260  1.00 48.42           O  
-ATOM    409  CB  SER A  52      16.794   8.196  24.444  1.00 51.76           C  
-ATOM    410  OG  SER A  52      18.168   8.179  24.806  1.00 53.76           O  
-ATOM    411  N   ALA A  53      16.060   9.459  27.240  1.00 41.59           N  
-ATOM    412  CA  ALA A  53      16.474   9.809  28.595  1.00 41.93           C  
-ATOM    413  C   ALA A  53      17.884   9.303  28.842  1.00 39.94           C  
-ATOM    414  O   ALA A  53      18.689   9.956  29.503  1.00 39.33           O  
-ATOM    415  CB  ALA A  53      15.514   9.203  29.620  1.00 41.60           C  
-ATOM    416  N   GLN A  54      18.176   8.124  28.312  1.00 40.58           N  
-ATOM    417  CA  GLN A  54      19.499   7.543  28.469  1.00 39.24           C  
-ATOM    418  C   GLN A  54      20.554   8.472  27.875  1.00 39.46           C  
-ATOM    419  O   GLN A  54      21.488   8.894  28.569  1.00 39.31           O  
-ATOM    420  CB  GLN A  54      19.556   6.179  27.789  1.00 35.99           C  
-ATOM    421  CG  GLN A  54      19.088   5.052  28.683  1.00 38.89           C  
-ATOM    422  CD  GLN A  54      19.285   3.689  28.040  1.00 42.30           C  
-ATOM    423  OE1 GLN A  54      18.539   3.298  27.133  1.00 37.60           O  
-ATOM    424  NE2 GLN A  54      20.303   2.960  28.500  1.00 36.19           N  
-ATOM    425  N   ILE A  55      20.392   8.798  26.594  1.00 36.11           N  
-ATOM    426  CA  ILE A  55      21.321   9.684  25.914  1.00 29.12           C  
-ATOM    427  C   ILE A  55      21.515  10.990  26.680  1.00 28.52           C  
-ATOM    428  O   ILE A  55      22.641  11.480  26.812  1.00 20.59           O  
-ATOM    429  CB  ILE A  55      20.837   9.974  24.502  1.00 26.73           C  
-ATOM    430  CG1 ILE A  55      21.109   8.751  23.616  1.00 23.40           C  
-ATOM    431  CG2 ILE A  55      21.534  11.200  23.966  1.00 27.59           C  
-ATOM    432  CD1 ILE A  55      20.520   8.839  22.228  1.00 21.56           C  
-ATOM    433  N   LYS A  56      20.423  11.545  27.200  1.00 29.79           N  
-ATOM    434  CA  LYS A  56      20.507  12.789  27.962  1.00 32.51           C  
-ATOM    435  C   LYS A  56      21.337  12.585  29.217  1.00 30.33           C  
-ATOM    436  O   LYS A  56      22.280  13.335  29.501  1.00 31.03           O  
-ATOM    437  CB  LYS A  56      19.115  13.291  28.364  1.00 34.02           C  
-ATOM    438  CG  LYS A  56      18.219  13.655  27.185  1.00 42.46           C  
-ATOM    439  CD  LYS A  56      16.902  14.283  27.631  1.00 48.76           C  
-ATOM    440  CE  LYS A  56      16.039  14.636  26.418  1.00 52.19           C  
-ATOM    441  NZ  LYS A  56      14.728  15.256  26.783  1.00 53.88           N  
-ATOM    442  N   ALA A  57      20.986  11.547  29.958  1.00 29.41           N  
-ATOM    443  CA  ALA A  57      21.661  11.248  31.204  1.00 30.60           C  
-ATOM    444  C   ALA A  57      23.144  11.032  30.967  1.00 31.90           C  
-ATOM    445  O   ALA A  57      23.992  11.591  31.674  1.00 33.11           O  
-ATOM    446  CB  ALA A  57      21.029  10.023  31.845  1.00 28.52           C  
-ATOM    447  N   HIS A  58      23.457  10.227  29.960  1.00 32.17           N  
-ATOM    448  CA  HIS A  58      24.847   9.950  29.634  1.00 29.43           C  
-ATOM    449  C   HIS A  58      25.524  11.211  29.098  1.00 29.85           C  
-ATOM    450  O   HIS A  58      26.659  11.533  29.479  1.00 30.41           O  
-ATOM    451  CB  HIS A  58      24.939   8.833  28.599  1.00 29.56           C  
-ATOM    452  CG  HIS A  58      26.281   8.179  28.559  1.00 36.32           C  
-ATOM    453  ND1 HIS A  58      26.878   7.644  29.682  1.00 40.20           N  
-ATOM    454  CD2 HIS A  58      27.169   8.020  27.551  1.00 37.59           C  
-ATOM    455  CE1 HIS A  58      28.076   7.188  29.367  1.00 38.32           C  
-ATOM    456  NE2 HIS A  58      28.278   7.404  28.080  1.00 39.61           N  
-ATOM    457  N   GLY A  59      24.821  11.925  28.218  1.00 26.96           N  
-ATOM    458  CA  GLY A  59      25.373  13.145  27.667  1.00 24.60           C  
-ATOM    459  C   GLY A  59      25.891  13.989  28.808  1.00 26.28           C  
-ATOM    460  O   GLY A  59      27.069  14.350  28.859  1.00 25.83           O  
-ATOM    461  N   LYS A  60      24.996  14.284  29.742  1.00 26.95           N  
-ATOM    462  CA  LYS A  60      25.334  15.081  30.913  1.00 24.82           C  
-ATOM    463  C   LYS A  60      26.587  14.550  31.633  1.00 18.77           C  
-ATOM    464  O   LYS A  60      27.451  15.327  32.039  1.00 13.14           O  
-ATOM    465  CB  LYS A  60      24.131  15.097  31.870  1.00 28.65           C  
-ATOM    466  CG  LYS A  60      24.273  16.015  33.077  1.00 33.98           C  
-ATOM    467  CD  LYS A  60      23.009  15.979  33.932  1.00 43.97           C  
-ATOM    468  CE  LYS A  60      23.190  16.742  35.247  1.00 51.18           C  
-ATOM    469  NZ  LYS A  60      22.020  16.579  36.174  1.00 53.82           N  
-ATOM    470  N   LYS A  61      26.692  13.231  31.768  1.00 10.39           N  
-ATOM    471  CA  LYS A  61      27.821  12.614  32.459  1.00 13.77           C  
-ATOM    472  C   LYS A  61      29.133  12.827  31.752  1.00 14.94           C  
-ATOM    473  O   LYS A  61      30.165  13.111  32.375  1.00 10.33           O  
-ATOM    474  CB  LYS A  61      27.580  11.120  32.613  1.00 25.52           C  
-ATOM    475  CG  LYS A  61      26.364  10.795  33.453  1.00 33.18           C  
-ATOM    476  CD  LYS A  61      26.684  10.822  34.934  1.00 35.22           C  
-ATOM    477  CE  LYS A  61      26.844   9.403  35.439  1.00 39.19           C  
-ATOM    478  NZ  LYS A  61      25.673   8.567  35.026  1.00 36.85           N  
-ATOM    479  N   VAL A  62      29.088  12.662  30.436  1.00 17.99           N  
-ATOM    480  CA  VAL A  62      30.255  12.849  29.590  1.00 14.05           C  
-ATOM    481  C   VAL A  62      30.885  14.229  29.759  1.00 13.18           C  
-ATOM    482  O   VAL A  62      32.041  14.358  30.158  1.00 11.40           O  
-ATOM    483  CB  VAL A  62      29.865  12.675  28.131  1.00 18.00           C  
-ATOM    484  CG1 VAL A  62      31.017  13.081  27.226  1.00 14.88           C  
-ATOM    485  CG2 VAL A  62      29.455  11.228  27.887  1.00 21.23           C  
-ATOM    486  N   VAL A  63      30.122  15.268  29.448  1.00 10.94           N  
-ATOM    487  CA  VAL A  63      30.643  16.623  29.573  1.00 16.83           C  
-ATOM    488  C   VAL A  63      30.972  16.975  31.031  1.00 21.90           C  
-ATOM    489  O   VAL A  63      31.910  17.741  31.309  1.00 19.16           O  
-ATOM    490  CB  VAL A  63      29.649  17.634  28.952  1.00 13.14           C  
-ATOM    491  CG1 VAL A  63      28.263  17.053  28.980  1.00 13.83           C  
-ATOM    492  CG2 VAL A  63      29.713  18.976  29.685  1.00 12.41           C  
-ATOM    493  N   ALA A  64      30.213  16.401  31.962  1.00 22.03           N  
-ATOM    494  CA  ALA A  64      30.448  16.647  33.379  1.00 22.84           C  
-ATOM    495  C   ALA A  64      31.886  16.262  33.692  1.00 22.26           C  
-ATOM    496  O   ALA A  64      32.570  16.944  34.470  1.00 24.25           O  
-ATOM    497  CB  ALA A  64      29.481  15.814  34.235  1.00 22.69           C  
-ATOM    498  N   ALA A  65      32.331  15.171  33.065  1.00 17.28           N  
-ATOM    499  CA  ALA A  65      33.683  14.641  33.240  1.00 14.48           C  
-ATOM    500  C   ALA A  65      34.750  15.490  32.556  1.00 16.37           C  
-ATOM    501  O   ALA A  65      35.852  15.675  33.093  1.00 12.37           O  
-ATOM    502  CB  ALA A  65      33.745  13.228  32.714  1.00 16.07           C  
-ATOM    503  N   LEU A  66      34.429  15.986  31.360  1.00 18.70           N  
-ATOM    504  CA  LEU A  66      35.360  16.831  30.616  1.00 18.70           C  
-ATOM    505  C   LEU A  66      35.570  18.083  31.453  1.00 19.05           C  
-ATOM    506  O   LEU A  66      36.691  18.611  31.549  1.00 16.32           O  
-ATOM    507  CB  LEU A  66      34.777  17.202  29.249  1.00 18.67           C  
-ATOM    508  CG  LEU A  66      34.598  16.067  28.237  1.00 17.23           C  
-ATOM    509  CD1 LEU A  66      33.655  16.474  27.125  1.00 16.63           C  
-ATOM    510  CD2 LEU A  66      35.940  15.709  27.678  1.00 13.71           C  
-ATOM    511  N   VAL A  67      34.477  18.541  32.070  1.00 19.62           N  
-ATOM    512  CA  VAL A  67      34.518  19.721  32.925  1.00 22.68           C  
-ATOM    513  C   VAL A  67      35.426  19.416  34.099  1.00 23.71           C  
-ATOM    514  O   VAL A  67      36.345  20.180  34.413  1.00 18.89           O  
-ATOM    515  CB  VAL A  67      33.125  20.082  33.455  1.00 23.61           C  
-ATOM    516  CG1 VAL A  67      33.241  21.184  34.514  1.00 18.06           C  
-ATOM    517  CG2 VAL A  67      32.238  20.535  32.295  1.00 26.13           C  
-ATOM    518  N   GLU A  68      35.168  18.280  34.733  1.00 24.06           N  
-ATOM    519  CA  GLU A  68      35.969  17.857  35.864  1.00 31.21           C  
-ATOM    520  C   GLU A  68      37.454  17.898  35.496  1.00 30.00           C  
-ATOM    521  O   GLU A  68      38.290  18.318  36.298  1.00 32.95           O  
-ATOM    522  CB  GLU A  68      35.568  16.443  36.304  1.00 34.78           C  
-ATOM    523  CG  GLU A  68      36.054  16.097  37.696  1.00 40.65           C  
-ATOM    524  CD  GLU A  68      35.528  17.067  38.734  1.00 46.78           C  
-ATOM    525  OE1 GLU A  68      36.206  17.254  39.768  1.00 52.69           O  
-ATOM    526  OE2 GLU A  68      34.435  17.640  38.520  1.00 49.06           O  
-ATOM    527  N   ALA A  69      37.774  17.480  34.273  1.00 28.74           N  
-ATOM    528  CA  ALA A  69      39.153  17.468  33.807  1.00 23.85           C  
-ATOM    529  C   ALA A  69      39.707  18.869  33.702  1.00 22.11           C  
-ATOM    530  O   ALA A  69      40.886  19.098  33.952  1.00 16.40           O  
-ATOM    531  CB  ALA A  69      39.239  16.780  32.472  1.00 26.28           C  
-ATOM    532  N   VAL A  70      38.859  19.819  33.334  1.00 26.91           N  
-ATOM    533  CA  VAL A  70      39.323  21.200  33.219  1.00 32.86           C  
-ATOM    534  C   VAL A  70      39.720  21.754  34.589  1.00 35.05           C  
-ATOM    535  O   VAL A  70      40.713  22.473  34.716  1.00 37.12           O  
-ATOM    536  CB  VAL A  70      38.246  22.123  32.592  1.00 32.12           C  
-ATOM    537  CG1 VAL A  70      38.792  23.547  32.446  1.00 28.01           C  
-ATOM    538  CG2 VAL A  70      37.825  21.580  31.231  1.00 35.09           C  
-ATOM    539  N   ASN A  71      38.955  21.411  35.619  1.00 37.91           N  
-ATOM    540  CA  ASN A  71      39.268  21.889  36.958  1.00 39.10           C  
-ATOM    541  C   ASN A  71      40.631  21.373  37.392  1.00 41.19           C  
-ATOM    542  O   ASN A  71      41.359  22.042  38.124  1.00 42.36           O  
-ATOM    543  CB  ASN A  71      38.195  21.442  37.939  1.00 41.54           C  
-ATOM    544  CG  ASN A  71      36.808  21.937  37.545  1.00 47.89           C  
-ATOM    545  OD1 ASN A  71      36.655  23.062  37.053  1.00 46.00           O  
-ATOM    546  ND2 ASN A  71      35.787  21.105  37.773  1.00 51.78           N  
-ATOM    547  N   HIS A  72      40.980  20.184  36.918  1.00 42.44           N  
-ATOM    548  CA  HIS A  72      42.265  19.586  37.246  1.00 44.29           C  
-ATOM    549  C   HIS A  72      43.086  19.464  35.966  1.00 44.90           C  
-ATOM    550  O   HIS A  72      43.810  18.482  35.755  1.00 43.98           O  
-ATOM    551  CB  HIS A  72      42.043  18.213  37.873  1.00 47.15           C  
-ATOM    552  CG  HIS A  72      41.083  18.231  39.021  1.00 53.97           C  
-ATOM    553  ND1 HIS A  72      39.806  18.742  38.914  1.00 57.23           N  
-ATOM    554  CD2 HIS A  72      41.211  17.805  40.300  1.00 54.14           C  
-ATOM    555  CE1 HIS A  72      39.188  18.629  40.078  1.00 54.36           C  
-ATOM    556  NE2 HIS A  72      40.019  18.064  40.935  1.00 54.25           N  
-ATOM    557  N   ILE A  73      42.971  20.479  35.115  1.00 39.74           N  
-ATOM    558  CA  ILE A  73      43.681  20.497  33.849  1.00 39.80           C  
-ATOM    559  C   ILE A  73      45.192  20.349  34.012  1.00 39.58           C  
-ATOM    560  O   ILE A  73      45.928  20.392  33.034  1.00 43.83           O  
-ATOM    561  CB  ILE A  73      43.393  21.805  33.074  1.00 39.02           C  
-ATOM    562  CG1 ILE A  73      43.666  21.592  31.588  1.00 36.13           C  
-ATOM    563  CG2 ILE A  73      44.269  22.947  33.605  1.00 30.34           C  
-ATOM    564  CD1 ILE A  73      43.272  22.766  30.740  1.00 38.33           C  
-ATOM    565  N   ASP A  74      45.657  20.180  35.242  1.00 39.42           N  
-ATOM    566  CA  ASP A  74      47.083  20.039  35.480  1.00 42.92           C  
-ATOM    567  C   ASP A  74      47.438  18.578  35.710  1.00 46.73           C  
-ATOM    568  O   ASP A  74      48.607  18.195  35.634  1.00 50.09           O  
-ATOM    569  CB  ASP A  74      47.502  20.877  36.687  1.00 43.95           C  
-ATOM    570  CG  ASP A  74      46.989  22.311  36.609  1.00 48.78           C  
-ATOM    571  OD1 ASP A  74      45.853  22.567  37.078  1.00 46.64           O  
-ATOM    572  OD2 ASP A  74      47.719  23.179  36.069  1.00 49.77           O  
-ATOM    573  N   ASP A  75      46.418  17.764  35.975  1.00 47.52           N  
-ATOM    574  CA  ASP A  75      46.608  16.340  36.222  1.00 45.58           C  
-ATOM    575  C   ASP A  75      45.432  15.549  35.648  1.00 44.77           C  
-ATOM    576  O   ASP A  75      44.735  14.833  36.373  1.00 42.74           O  
-ATOM    577  CB  ASP A  75      46.716  16.083  37.725  1.00 50.45           C  
-ATOM    578  CG  ASP A  75      47.251  14.705  38.042  1.00 55.81           C  
-ATOM    579  OD1 ASP A  75      47.305  14.359  39.244  1.00 60.10           O  
-ATOM    580  OD2 ASP A  75      47.623  13.974  37.093  1.00 59.63           O  
-ATOM    581  N   ILE A  76      45.224  15.688  34.340  1.00 42.06           N  
-ATOM    582  CA  ILE A  76      44.142  15.007  33.635  1.00 35.58           C  
-ATOM    583  C   ILE A  76      44.151  13.506  33.914  1.00 33.82           C  
-ATOM    584  O   ILE A  76      43.099  12.889  34.102  1.00 29.33           O  
-ATOM    585  CB  ILE A  76      44.262  15.252  32.116  1.00 33.76           C  
-ATOM    586  CG1 ILE A  76      44.245  16.753  31.847  1.00 26.99           C  
-ATOM    587  CG2 ILE A  76      43.117  14.582  31.365  1.00 33.15           C  
-ATOM    588  CD1 ILE A  76      44.307  17.096  30.390  1.00 33.65           C  
-ATOM    589  N   ALA A  77      45.347  12.924  33.935  1.00 36.06           N  
-ATOM    590  CA  ALA A  77      45.496  11.497  34.204  1.00 39.39           C  
-ATOM    591  C   ALA A  77      44.863  11.171  35.553  1.00 41.66           C  
-ATOM    592  O   ALA A  77      43.909  10.387  35.629  1.00 42.12           O  
-ATOM    593  CB  ALA A  77      46.970  11.117  34.213  1.00 36.00           C  
-ATOM    594  N   GLY A  78      45.394  11.786  36.609  1.00 40.74           N  
-ATOM    595  CA  GLY A  78      44.865  11.557  37.942  1.00 39.68           C  
-ATOM    596  C   GLY A  78      43.363  11.751  37.959  1.00 38.62           C  
-ATOM    597  O   GLY A  78      42.613  10.888  38.423  1.00 39.72           O  
-ATOM    598  N   ALA A  79      42.931  12.885  37.421  1.00 36.54           N  
-ATOM    599  CA  ALA A  79      41.522  13.235  37.368  1.00 35.33           C  
-ATOM    600  C   ALA A  79      40.653  12.184  36.696  1.00 37.16           C  
-ATOM    601  O   ALA A  79      39.496  12.003  37.082  1.00 37.88           O  
-ATOM    602  CB  ALA A  79      41.349  14.570  36.658  1.00 34.63           C  
-ATOM    603  N   LEU A  80      41.197  11.478  35.707  1.00 35.87           N  
-ATOM    604  CA  LEU A  80      40.399  10.484  35.000  1.00 32.87           C  
-ATOM    605  C   LEU A  80      40.930   9.063  35.066  1.00 33.82           C  
-ATOM    606  O   LEU A  80      40.504   8.199  34.295  1.00 35.56           O  
-ATOM    607  CB  LEU A  80      40.237  10.911  33.540  1.00 29.48           C  
-ATOM    608  CG  LEU A  80      39.659  12.318  33.362  1.00 23.74           C  
-ATOM    609  CD1 LEU A  80      40.547  13.129  32.435  1.00 18.89           C  
-ATOM    610  CD2 LEU A  80      38.250  12.222  32.818  1.00 18.99           C  
-ATOM    611  N   SER A  81      41.842   8.808  35.995  1.00 35.22           N  
-ATOM    612  CA  SER A  81      42.411   7.471  36.137  1.00 36.87           C  
-ATOM    613  C   SER A  81      41.339   6.377  36.190  1.00 33.16           C  
-ATOM    614  O   SER A  81      41.471   5.336  35.554  1.00 34.46           O  
-ATOM    615  CB  SER A  81      43.276   7.410  37.400  1.00 40.01           C  
-ATOM    616  OG  SER A  81      42.626   8.073  38.473  1.00 39.34           O  
-ATOM    617  N   LYS A  82      40.277   6.619  36.943  1.00 28.78           N  
-ATOM    618  CA  LYS A  82      39.208   5.646  37.086  1.00 30.05           C  
-ATOM    619  C   LYS A  82      38.492   5.395  35.754  1.00 30.63           C  
-ATOM    620  O   LYS A  82      38.009   4.290  35.491  1.00 28.97           O  
-ATOM    621  CB  LYS A  82      38.213   6.147  38.142  1.00 39.08           C  
-ATOM    622  CG  LYS A  82      37.486   5.062  38.931  1.00 44.88           C  
-ATOM    623  CD  LYS A  82      36.596   4.195  38.036  1.00 52.31           C  
-ATOM    624  CE  LYS A  82      36.936   2.706  38.186  1.00 55.91           C  
-ATOM    625  NZ  LYS A  82      38.363   2.388  37.809  1.00 55.60           N  
-ATOM    626  N   LEU A  83      38.424   6.413  34.905  1.00 30.50           N  
-ATOM    627  CA  LEU A  83      37.745   6.256  33.626  1.00 32.45           C  
-ATOM    628  C   LEU A  83      38.614   5.627  32.545  1.00 32.65           C  
-ATOM    629  O   LEU A  83      38.098   5.065  31.576  1.00 31.92           O  
-ATOM    630  CB  LEU A  83      37.214   7.598  33.143  1.00 34.66           C  
-ATOM    631  CG  LEU A  83      36.051   8.182  33.945  1.00 37.64           C  
-ATOM    632  CD1 LEU A  83      35.824   9.611  33.488  1.00 41.73           C  
-ATOM    633  CD2 LEU A  83      34.792   7.346  33.754  1.00 35.38           C  
-ATOM    634  N   SER A  84      39.931   5.727  32.690  1.00 31.65           N  
-ATOM    635  CA  SER A  84      40.813   5.118  31.706  1.00 32.64           C  
-ATOM    636  C   SER A  84      40.792   3.607  31.928  1.00 32.51           C  
-ATOM    637  O   SER A  84      41.000   2.834  31.006  1.00 38.10           O  
-ATOM    638  CB  SER A  84      42.242   5.679  31.817  1.00 32.66           C  
-ATOM    639  OG  SER A  84      42.778   5.562  33.120  1.00 32.39           O  
-ATOM    640  N   ASP A  85      40.530   3.190  33.160  1.00 32.49           N  
-ATOM    641  CA  ASP A  85      40.446   1.771  33.465  1.00 32.39           C  
-ATOM    642  C   ASP A  85      39.259   1.280  32.683  1.00 27.76           C  
-ATOM    643  O   ASP A  85      39.346   0.361  31.880  1.00 26.05           O  
-ATOM    644  CB  ASP A  85      40.144   1.533  34.948  1.00 38.36           C  
-ATOM    645  CG  ASP A  85      41.390   1.337  35.790  1.00 46.19           C  
-ATOM    646  OD1 ASP A  85      41.228   0.881  36.941  1.00 49.54           O  
-ATOM    647  OD2 ASP A  85      42.516   1.635  35.323  1.00 50.98           O  
-ATOM    648  N   LEU A  86      38.140   1.930  32.943  1.00 25.19           N  
-ATOM    649  CA  LEU A  86      36.883   1.591  32.324  1.00 26.02           C  
-ATOM    650  C   LEU A  86      36.937   1.528  30.787  1.00 27.02           C  
-ATOM    651  O   LEU A  86      36.514   0.539  30.179  1.00 22.46           O  
-ATOM    652  CB  LEU A  86      35.835   2.613  32.772  1.00 24.98           C  
-ATOM    653  CG  LEU A  86      34.365   2.202  32.819  1.00 24.89           C  
-ATOM    654  CD1 LEU A  86      33.573   3.468  32.909  1.00 28.69           C  
-ATOM    655  CD2 LEU A  86      33.932   1.410  31.598  1.00 24.08           C  
-ATOM    656  N   HIS A  87      37.459   2.579  30.157  1.00 28.49           N  
-ATOM    657  CA  HIS A  87      37.490   2.627  28.694  1.00 27.13           C  
-ATOM    658  C   HIS A  87      38.596   1.810  28.052  1.00 23.57           C  
-ATOM    659  O   HIS A  87      38.471   1.410  26.897  1.00 25.21           O  
-ATOM    660  CB  HIS A  87      37.563   4.088  28.191  1.00 24.93           C  
-ATOM    661  CG  HIS A  87      36.315   4.886  28.440  1.00 23.36           C  
-ATOM    662  ND1 HIS A  87      36.003   5.422  29.671  1.00 20.60           N  
-ATOM    663  CD2 HIS A  87      35.282   5.208  27.619  1.00 27.53           C  
-ATOM    664  CE1 HIS A  87      34.834   6.038  29.598  1.00 26.82           C  
-ATOM    665  NE2 HIS A  87      34.374   5.923  28.364  1.00 24.98           N  
-ATOM    666  N   ALA A  88      39.668   1.558  28.797  1.00 20.49           N  
-ATOM    667  CA  ALA A  88      40.800   0.794  28.276  1.00 16.97           C  
-ATOM    668  C   ALA A  88      40.735  -0.680  28.652  1.00 22.07           C  
-ATOM    669  O   ALA A  88      40.491  -1.520  27.794  1.00 28.90           O  
-ATOM    670  CB  ALA A  88      42.115   1.399  28.754  1.00  3.36           C  
-ATOM    671  N   GLN A  89      40.939  -0.995  29.930  1.00 29.96           N  
-ATOM    672  CA  GLN A  89      40.916  -2.386  30.411  1.00 27.65           C  
-ATOM    673  C   GLN A  89      39.581  -3.102  30.255  1.00 22.69           C  
-ATOM    674  O   GLN A  89      39.538  -4.250  29.834  1.00 19.42           O  
-ATOM    675  CB  GLN A  89      41.306  -2.434  31.885  1.00 32.53           C  
-ATOM    676  CG  GLN A  89      42.648  -1.809  32.191  1.00 45.12           C  
-ATOM    677  CD  GLN A  89      43.804  -2.728  31.842  1.00 57.35           C  
-ATOM    678  OE1 GLN A  89      44.972  -2.317  31.881  1.00 63.54           O  
-ATOM    679  NE2 GLN A  89      43.489  -3.988  31.509  1.00 57.14           N  
-ATOM    680  N   LYS A  90      38.494  -2.416  30.587  1.00 22.63           N  
-ATOM    681  CA  LYS A  90      37.160  -3.014  30.543  1.00 28.35           C  
-ATOM    682  C   LYS A  90      36.463  -3.079  29.181  1.00 30.26           C  
-ATOM    683  O   LYS A  90      36.325  -4.157  28.608  1.00 32.03           O  
-ATOM    684  CB  LYS A  90      36.266  -2.291  31.549  1.00 33.40           C  
-ATOM    685  CG  LYS A  90      34.876  -2.880  31.719  1.00 42.58           C  
-ATOM    686  CD  LYS A  90      34.850  -4.030  32.712  1.00 47.09           C  
-ATOM    687  CE  LYS A  90      33.406  -4.442  33.018  1.00 49.69           C  
-ATOM    688  NZ  LYS A  90      32.615  -3.340  33.662  1.00 48.49           N  
-ATOM    689  N   LEU A  91      36.024  -1.927  28.674  1.00 31.53           N  
-ATOM    690  CA  LEU A  91      35.324  -1.819  27.384  1.00 28.07           C  
-ATOM    691  C   LEU A  91      36.194  -2.023  26.138  1.00 26.65           C  
-ATOM    692  O   LEU A  91      35.677  -2.344  25.061  1.00 22.56           O  
-ATOM    693  CB  LEU A  91      34.686  -0.438  27.282  1.00 29.44           C  
-ATOM    694  CG  LEU A  91      33.772   0.018  28.424  1.00 33.20           C  
-ATOM    695  CD1 LEU A  91      33.463   1.492  28.259  1.00 31.13           C  
-ATOM    696  CD2 LEU A  91      32.483  -0.793  28.423  1.00 27.15           C  
-ATOM    697  N   ARG A  92      37.506  -1.835  26.304  1.00 28.94           N  
-ATOM    698  CA  ARG A  92      38.508  -1.910  25.227  1.00 27.11           C  
-ATOM    699  C   ARG A  92      38.020  -1.027  24.075  1.00 29.50           C  
-ATOM    700  O   ARG A  92      37.812  -1.513  22.958  1.00 34.43           O  
-ATOM    701  CB  ARG A  92      38.714  -3.333  24.683  1.00 26.16           C  
-ATOM    702  CG  ARG A  92      38.670  -4.487  25.669  1.00 32.83           C  
-ATOM    703  CD  ARG A  92      39.714  -4.441  26.771  1.00 36.81           C  
-ATOM    704  NE  ARG A  92      41.106  -4.510  26.325  1.00 35.39           N  
-ATOM    705  CZ  ARG A  92      42.077  -5.111  27.014  1.00 32.00           C  
-ATOM    706  NH1 ARG A  92      41.810  -5.712  28.161  1.00 27.52           N  
-ATOM    707  NH2 ARG A  92      43.328  -5.071  26.584  1.00 33.51           N  
-ATOM    708  N   VAL A  93      37.818   0.264  24.342  1.00 27.61           N  
-ATOM    709  CA  VAL A  93      37.351   1.169  23.298  1.00 19.61           C  
-ATOM    710  C   VAL A  93      38.463   1.466  22.317  1.00 18.39           C  
-ATOM    711  O   VAL A  93      39.584   1.832  22.710  1.00 13.31           O  
-ATOM    712  CB  VAL A  93      36.870   2.510  23.855  1.00 17.46           C  
-ATOM    713  CG1 VAL A  93      36.454   3.426  22.697  1.00  9.78           C  
-ATOM    714  CG2 VAL A  93      35.719   2.282  24.818  1.00 16.00           C  
-ATOM    715  N   ASP A  94      38.143   1.299  21.038  1.00 18.32           N  
-ATOM    716  CA  ASP A  94      39.102   1.555  19.972  1.00 18.95           C  
-ATOM    717  C   ASP A  94      39.438   3.034  20.002  1.00 19.43           C  
-ATOM    718  O   ASP A  94      38.547   3.894  19.886  1.00 21.44           O  
-ATOM    719  CB  ASP A  94      38.504   1.199  18.616  1.00 20.04           C  
-ATOM    720  CG  ASP A  94      39.536   1.219  17.514  1.00 25.24           C  
-ATOM    721  OD1 ASP A  94      40.368   2.154  17.502  1.00 26.32           O  
-ATOM    722  OD2 ASP A  94      39.511   0.309  16.654  1.00 24.89           O  
-ATOM    723  N   PRO A  95      40.728   3.357  20.157  1.00 15.22           N  
-ATOM    724  CA  PRO A  95      41.205   4.744  20.209  1.00 12.03           C  
-ATOM    725  C   PRO A  95      40.686   5.615  19.067  1.00 10.37           C  
-ATOM    726  O   PRO A  95      40.635   6.840  19.184  1.00 10.28           O  
-ATOM    727  CB  PRO A  95      42.725   4.590  20.200  1.00  8.92           C  
-ATOM    728  CG  PRO A  95      42.933   3.322  19.503  1.00  7.29           C  
-ATOM    729  CD  PRO A  95      41.855   2.426  20.056  1.00 10.29           C  
-ATOM    730  N   VAL A  96      40.277   4.980  17.976  1.00  9.30           N  
-ATOM    731  CA  VAL A  96      39.745   5.708  16.832  1.00  9.95           C  
-ATOM    732  C   VAL A  96      38.419   6.425  17.101  1.00  8.50           C  
-ATOM    733  O   VAL A  96      38.185   7.482  16.538  1.00  4.67           O  
-ATOM    734  CB  VAL A  96      39.538   4.784  15.628  1.00 10.84           C  
-ATOM    735  CG1 VAL A  96      38.226   4.035  15.768  1.00 15.26           C  
-ATOM    736  CG2 VAL A  96      39.556   5.597  14.353  1.00 16.24           C  
-ATOM    737  N   ASN A  97      37.562   5.855  17.958  1.00 15.39           N  
-ATOM    738  CA  ASN A  97      36.264   6.461  18.282  1.00 13.06           C  
-ATOM    739  C   ASN A  97      36.354   7.730  19.095  1.00 10.19           C  
-ATOM    740  O   ASN A  97      35.430   8.542  19.071  1.00  8.27           O  
-ATOM    741  CB  ASN A  97      35.368   5.491  19.031  1.00 19.55           C  
-ATOM    742  CG  ASN A  97      34.915   4.333  18.172  1.00 23.66           C  
-ATOM    743  OD1 ASN A  97      35.359   3.206  18.358  1.00 28.82           O  
-ATOM    744  ND2 ASN A  97      34.028   4.603  17.226  1.00 21.96           N  
-ATOM    745  N   PHE A  98      37.451   7.903  19.826  1.00  8.53           N  
-ATOM    746  CA  PHE A  98      37.619   9.117  20.609  1.00  9.72           C  
-ATOM    747  C   PHE A  98      37.674  10.305  19.667  1.00 13.75           C  
-ATOM    748  O   PHE A  98      37.231  11.406  20.014  1.00 15.53           O  
-ATOM    749  CB  PHE A  98      38.863   9.029  21.491  1.00 11.37           C  
-ATOM    750  CG  PHE A  98      38.657   8.186  22.725  1.00 19.32           C  
-ATOM    751  CD1 PHE A  98      38.161   8.746  23.895  1.00 17.27           C  
-ATOM    752  CD2 PHE A  98      38.853   6.808  22.684  1.00 23.64           C  
-ATOM    753  CE1 PHE A  98      37.859   7.952  24.997  1.00 17.38           C  
-ATOM    754  CE2 PHE A  98      38.548   6.009  23.791  1.00 25.91           C  
-ATOM    755  CZ  PHE A  98      38.047   6.586  24.947  1.00 13.98           C  
-ATOM    756  N   LYS A  99      38.196  10.089  18.463  1.00 14.56           N  
-ATOM    757  CA  LYS A  99      38.221  11.160  17.479  1.00 13.32           C  
-ATOM    758  C   LYS A  99      36.776  11.560  17.146  1.00 14.12           C  
-ATOM    759  O   LYS A  99      36.426  12.730  17.230  1.00 15.85           O  
-ATOM    760  CB  LYS A  99      38.921  10.702  16.207  1.00 24.78           C  
-ATOM    761  CG  LYS A  99      40.438  10.782  16.245  1.00 36.69           C  
-ATOM    762  CD  LYS A  99      41.028   9.859  15.177  1.00 42.20           C  
-ATOM    763  CE  LYS A  99      42.541   9.727  15.289  1.00 42.61           C  
-ATOM    764  NZ  LYS A  99      43.042   8.689  14.330  1.00 47.86           N  
-ATOM    765  N   PHE A 100      35.935  10.592  16.787  1.00 12.40           N  
-ATOM    766  CA  PHE A 100      34.543  10.885  16.443  1.00 13.07           C  
-ATOM    767  C   PHE A 100      33.830  11.712  17.497  1.00 18.21           C  
-ATOM    768  O   PHE A 100      33.118  12.656  17.165  1.00 25.01           O  
-ATOM    769  CB  PHE A 100      33.746   9.604  16.251  1.00 14.93           C  
-ATOM    770  CG  PHE A 100      34.385   8.624  15.333  1.00 17.40           C  
-ATOM    771  CD1 PHE A 100      34.247   7.264  15.558  1.00 25.49           C  
-ATOM    772  CD2 PHE A 100      35.124   9.046  14.244  1.00 18.23           C  
-ATOM    773  CE1 PHE A 100      34.848   6.334  14.702  1.00 26.19           C  
-ATOM    774  CE2 PHE A 100      35.724   8.132  13.388  1.00 12.80           C  
-ATOM    775  CZ  PHE A 100      35.587   6.774  13.617  1.00 16.75           C  
-ATOM    776  N   LEU A 101      34.005  11.361  18.768  1.00 18.23           N  
-ATOM    777  CA  LEU A 101      33.326  12.097  19.830  1.00 16.99           C  
-ATOM    778  C   LEU A 101      33.821  13.530  19.987  1.00 15.46           C  
-ATOM    779  O   LEU A 101      33.022  14.449  20.156  1.00 18.74           O  
-ATOM    780  CB  LEU A 101      33.452  11.352  21.153  1.00 16.55           C  
-ATOM    781  CG  LEU A 101      32.482  11.812  22.240  1.00 16.23           C  
-ATOM    782  CD1 LEU A 101      32.108  10.627  23.098  1.00 15.79           C  
-ATOM    783  CD2 LEU A 101      33.108  12.926  23.057  1.00 15.25           C  
-ATOM    784  N   GLY A 102      35.135  13.726  19.922  1.00 16.39           N  
-ATOM    785  CA  GLY A 102      35.678  15.073  20.044  1.00 12.29           C  
-ATOM    786  C   GLY A 102      35.195  15.958  18.905  1.00  9.75           C  
-ATOM    787  O   GLY A 102      34.904  17.153  19.086  1.00  5.50           O  
-ATOM    788  N   HIS A 103      35.107  15.355  17.724  1.00  6.68           N  
-ATOM    789  CA  HIS A 103      34.657  16.039  16.518  1.00  9.57           C  
-ATOM    790  C   HIS A 103      33.246  16.574  16.677  1.00 10.05           C  
-ATOM    791  O   HIS A 103      32.968  17.742  16.437  1.00  5.21           O  
-ATOM    792  CB  HIS A 103      34.666  15.067  15.361  1.00  9.30           C  
-ATOM    793  CG  HIS A 103      34.262  15.679  14.065  1.00 11.67           C  
-ATOM    794  ND1 HIS A 103      34.859  16.815  13.566  1.00  8.95           N  
-ATOM    795  CD2 HIS A 103      33.358  15.286  13.138  1.00 13.13           C  
-ATOM    796  CE1 HIS A 103      34.342  17.093  12.384  1.00 12.61           C  
-ATOM    797  NE2 HIS A 103      33.431  16.181  12.101  1.00 13.26           N  
-ATOM    798  N   CYS A 104      32.347  15.690  17.068  1.00 12.21           N  
-ATOM    799  CA  CYS A 104      30.981  16.083  17.259  1.00 14.79           C  
-ATOM    800  C   CYS A 104      30.883  17.150  18.336  1.00 18.83           C  
-ATOM    801  O   CYS A 104      30.114  18.108  18.188  1.00 22.55           O  
-ATOM    802  CB  CYS A 104      30.154  14.863  17.607  1.00 15.55           C  
-ATOM    803  SG  CYS A 104      30.034  13.751  16.192  1.00  7.21           S  
-ATOM    804  N   PHE A 105      31.659  17.006  19.408  1.00 10.44           N  
-ATOM    805  CA  PHE A 105      31.631  18.016  20.459  1.00 12.23           C  
-ATOM    806  C   PHE A 105      31.929  19.429  19.889  1.00 14.92           C  
-ATOM    807  O   PHE A 105      31.219  20.403  20.186  1.00 14.77           O  
-ATOM    808  CB  PHE A 105      32.644  17.681  21.528  1.00  7.16           C  
-ATOM    809  CG  PHE A 105      32.573  18.576  22.724  1.00 14.73           C  
-ATOM    810  CD1 PHE A 105      33.629  19.435  23.039  1.00 17.83           C  
-ATOM    811  CD2 PHE A 105      31.465  18.534  23.570  1.00 14.57           C  
-ATOM    812  CE1 PHE A 105      33.585  20.240  24.196  1.00 21.75           C  
-ATOM    813  CE2 PHE A 105      31.409  19.332  24.724  1.00 16.80           C  
-ATOM    814  CZ  PHE A 105      32.473  20.185  25.038  1.00 18.46           C  
-ATOM    815  N   LEU A 106      32.971  19.539  19.070  1.00 13.78           N  
-ATOM    816  CA  LEU A 106      33.323  20.817  18.472  1.00 11.40           C  
-ATOM    817  C   LEU A 106      32.185  21.309  17.593  1.00 13.25           C  
-ATOM    818  O   LEU A 106      31.920  22.514  17.524  1.00 11.79           O  
-ATOM    819  CB  LEU A 106      34.596  20.675  17.658  1.00 15.00           C  
-ATOM    820  CG  LEU A 106      35.787  20.280  18.530  1.00 18.02           C  
-ATOM    821  CD1 LEU A 106      36.871  19.640  17.676  1.00 18.06           C  
-ATOM    822  CD2 LEU A 106      36.294  21.513  19.272  1.00 11.41           C  
-ATOM    823  N   VAL A 107      31.497  20.384  16.930  1.00  9.95           N  
-ATOM    824  CA  VAL A 107      30.371  20.772  16.088  1.00 10.01           C  
-ATOM    825  C   VAL A 107      29.270  21.409  16.939  1.00 10.27           C  
-ATOM    826  O   VAL A 107      28.677  22.424  16.560  1.00  8.29           O  
-ATOM    827  CB  VAL A 107      29.798  19.561  15.331  1.00  5.47           C  
-ATOM    828  CG1 VAL A 107      28.354  19.834  14.915  1.00  3.36           C  
-ATOM    829  CG2 VAL A 107      30.652  19.296  14.094  1.00 10.96           C  
-ATOM    830  N   VAL A 108      29.014  20.810  18.099  1.00 13.51           N  
-ATOM    831  CA  VAL A 108      27.987  21.305  19.014  1.00 11.82           C  
-ATOM    832  C   VAL A 108      28.334  22.699  19.520  1.00 12.58           C  
-ATOM    833  O   VAL A 108      27.488  23.600  19.486  1.00 15.88           O  
-ATOM    834  CB  VAL A 108      27.766  20.320  20.217  1.00  9.66           C  
-ATOM    835  CG1 VAL A 108      26.930  20.978  21.311  1.00  4.49           C  
-ATOM    836  CG2 VAL A 108      27.042  19.076  19.732  1.00  3.79           C  
-ATOM    837  N   VAL A 109      29.564  22.888  19.986  1.00  8.77           N  
-ATOM    838  CA  VAL A 109      29.978  24.210  20.453  1.00  9.68           C  
-ATOM    839  C   VAL A 109      29.863  25.247  19.299  1.00 10.88           C  
-ATOM    840  O   VAL A 109      29.378  26.367  19.504  1.00  3.36           O  
-ATOM    841  CB  VAL A 109      31.433  24.162  21.012  1.00 10.11           C  
-ATOM    842  CG1 VAL A 109      31.945  25.560  21.304  1.00 16.19           C  
-ATOM    843  CG2 VAL A 109      31.468  23.361  22.285  1.00  6.58           C  
-ATOM    844  N   ALA A 110      30.288  24.860  18.093  1.00  8.95           N  
-ATOM    845  CA  ALA A 110      30.219  25.755  16.941  1.00 14.63           C  
-ATOM    846  C   ALA A 110      28.797  26.249  16.665  1.00 15.36           C  
-ATOM    847  O   ALA A 110      28.579  27.422  16.340  1.00 13.17           O  
-ATOM    848  CB  ALA A 110      30.762  25.065  15.708  1.00 16.01           C  
-ATOM    849  N   ILE A 111      27.831  25.353  16.785  1.00 12.05           N  
-ATOM    850  CA  ILE A 111      26.450  25.723  16.550  1.00 14.92           C  
-ATOM    851  C   ILE A 111      25.858  26.660  17.615  1.00 17.79           C  
-ATOM    852  O   ILE A 111      25.094  27.564  17.284  1.00 22.26           O  
-ATOM    853  CB  ILE A 111      25.563  24.475  16.442  1.00 10.50           C  
-ATOM    854  CG1 ILE A 111      25.918  23.707  15.168  1.00  3.36           C  
-ATOM    855  CG2 ILE A 111      24.110  24.880  16.474  1.00  9.05           C  
-ATOM    856  CD1 ILE A 111      24.988  22.605  14.818  1.00  3.36           C  
-ATOM    857  N   HIS A 112      26.212  26.472  18.883  1.00 16.03           N  
-ATOM    858  CA  HIS A 112      25.653  27.324  19.929  1.00 15.95           C  
-ATOM    859  C   HIS A 112      26.493  28.519  20.379  1.00 16.39           C  
-ATOM    860  O   HIS A 112      25.952  29.515  20.841  1.00 20.75           O  
-ATOM    861  CB  HIS A 112      25.293  26.478  21.149  1.00 19.97           C  
-ATOM    862  CG  HIS A 112      24.330  25.369  20.847  1.00 30.93           C  
-ATOM    863  ND1 HIS A 112      23.665  24.669  21.832  1.00 35.11           N  
-ATOM    864  CD2 HIS A 112      23.931  24.829  19.671  1.00 32.02           C  
-ATOM    865  CE1 HIS A 112      22.900  23.747  21.275  1.00 36.72           C  
-ATOM    866  NE2 HIS A 112      23.042  23.823  19.965  1.00 31.50           N  
-ATOM    867  N   HIS A 113      27.809  28.440  20.264  1.00 14.26           N  
-ATOM    868  CA  HIS A 113      28.630  29.555  20.699  1.00 17.49           C  
-ATOM    869  C   HIS A 113      29.740  29.819  19.708  1.00 18.41           C  
-ATOM    870  O   HIS A 113      30.915  29.828  20.064  1.00 20.14           O  
-ATOM    871  CB  HIS A 113      29.228  29.274  22.073  1.00 22.23           C  
-ATOM    872  CG  HIS A 113      28.211  29.132  23.168  1.00 29.35           C  
-ATOM    873  ND1 HIS A 113      27.238  28.154  23.164  1.00 29.76           N  
-ATOM    874  CD2 HIS A 113      28.063  29.803  24.334  1.00 31.85           C  
-ATOM    875  CE1 HIS A 113      26.540  28.225  24.283  1.00 30.68           C  
-ATOM    876  NE2 HIS A 113      27.022  29.216  25.011  1.00 35.91           N  
-ATOM    877  N   PRO A 114      29.369  30.062  18.445  1.00 17.26           N  
-ATOM    878  CA  PRO A 114      30.263  30.337  17.322  1.00 19.64           C  
-ATOM    879  C   PRO A 114      31.266  31.452  17.576  1.00 21.57           C  
-ATOM    880  O   PRO A 114      32.316  31.519  16.929  1.00 25.65           O  
-ATOM    881  CB  PRO A 114      29.296  30.665  16.198  1.00 16.93           C  
-ATOM    882  CG  PRO A 114      28.128  31.220  16.915  1.00  9.51           C  
-ATOM    883  CD  PRO A 114      27.973  30.280  18.046  1.00 14.88           C  
-ATOM    884  N   SER A 115      30.944  32.326  18.515  1.00 20.86           N  
-ATOM    885  CA  SER A 115      31.845  33.416  18.857  1.00 25.40           C  
-ATOM    886  C   SER A 115      32.837  32.937  19.909  1.00 24.32           C  
-ATOM    887  O   SER A 115      33.947  33.450  20.018  1.00 29.75           O  
-ATOM    888  CB  SER A 115      31.049  34.582  19.413  1.00 28.92           C  
-ATOM    889  OG  SER A 115      30.142  34.108  20.391  1.00 39.65           O  
-ATOM    890  N   ALA A 116      32.424  31.950  20.688  1.00 21.69           N  
-ATOM    891  CA  ALA A 116      33.273  31.406  21.727  1.00 19.42           C  
-ATOM    892  C   ALA A 116      34.325  30.482  21.147  1.00 18.29           C  
-ATOM    893  O   ALA A 116      35.357  30.265  21.767  1.00 21.16           O  
-ATOM    894  CB  ALA A 116      32.421  30.648  22.740  1.00 18.17           C  
-ATOM    895  N   LEU A 117      34.060  29.949  19.954  1.00 17.39           N  
-ATOM    896  CA  LEU A 117      34.969  29.019  19.306  1.00 16.81           C  
-ATOM    897  C   LEU A 117      35.864  29.645  18.239  1.00 19.71           C  
-ATOM    898  O   LEU A 117      35.868  29.218  17.081  1.00 15.73           O  
-ATOM    899  CB  LEU A 117      34.187  27.857  18.690  1.00 11.61           C  
-ATOM    900  CG  LEU A 117      35.067  26.679  18.249  1.00 19.51           C  
-ATOM    901  CD1 LEU A 117      35.773  26.071  19.472  1.00 16.00           C  
-ATOM    902  CD2 LEU A 117      34.226  25.634  17.534  1.00 10.11           C  
-ATOM    903  N   THR A 118      36.634  30.653  18.630  1.00 18.11           N  
-ATOM    904  CA  THR A 118      37.542  31.279  17.687  1.00 20.13           C  
-ATOM    905  C   THR A 118      38.589  30.225  17.316  1.00 18.86           C  
-ATOM    906  O   THR A 118      38.777  29.253  18.049  1.00 23.10           O  
-ATOM    907  CB  THR A 118      38.202  32.524  18.317  1.00 23.79           C  
-ATOM    908  OG1 THR A 118      39.050  32.142  19.407  1.00 29.54           O  
-ATOM    909  CG2 THR A 118      37.132  33.451  18.856  1.00 23.32           C  
-ATOM    910  N   ALA A 119      39.259  30.407  16.183  1.00 15.56           N  
-ATOM    911  CA  ALA A 119      40.265  29.452  15.728  1.00 15.05           C  
-ATOM    912  C   ALA A 119      41.346  29.137  16.762  1.00 15.51           C  
-ATOM    913  O   ALA A 119      41.856  28.022  16.813  1.00 14.87           O  
-ATOM    914  CB  ALA A 119      40.916  29.959  14.443  1.00 12.18           C  
-ATOM    915  N   GLU A 120      41.696  30.116  17.582  1.00 17.91           N  
-ATOM    916  CA  GLU A 120      42.725  29.922  18.587  1.00 23.23           C  
-ATOM    917  C   GLU A 120      42.255  28.909  19.615  1.00 19.87           C  
-ATOM    918  O   GLU A 120      42.965  27.959  19.955  1.00 22.77           O  
-ATOM    919  CB  GLU A 120      43.051  31.252  19.255  1.00 33.59           C  
-ATOM    920  CG  GLU A 120      44.533  31.464  19.493  1.00 45.74           C  
-ATOM    921  CD  GLU A 120      44.856  32.887  19.892  1.00 50.34           C  
-ATOM    922  OE1 GLU A 120      44.346  33.345  20.933  1.00 55.48           O  
-ATOM    923  OE2 GLU A 120      45.622  33.547  19.164  1.00 55.56           O  
-ATOM    924  N   VAL A 121      41.047  29.105  20.108  1.00 15.91           N  
-ATOM    925  CA  VAL A 121      40.499  28.171  21.070  1.00 18.54           C  
-ATOM    926  C   VAL A 121      40.410  26.798  20.404  1.00 15.53           C  
-ATOM    927  O   VAL A 121      40.817  25.795  20.982  1.00 19.90           O  
-ATOM    928  CB  VAL A 121      39.110  28.638  21.551  1.00 21.36           C  
-ATOM    929  CG1 VAL A 121      38.495  27.601  22.479  1.00 25.39           C  
-ATOM    930  CG2 VAL A 121      39.244  29.972  22.273  1.00 12.55           C  
-ATOM    931  N   HIS A 122      39.898  26.764  19.177  1.00 12.29           N  
-ATOM    932  CA  HIS A 122      39.779  25.517  18.410  1.00 11.64           C  
-ATOM    933  C   HIS A 122      41.053  24.655  18.499  1.00  7.48           C  
-ATOM    934  O   HIS A 122      41.003  23.444  18.637  1.00  3.93           O  
-ATOM    935  CB  HIS A 122      39.486  25.842  16.944  1.00  6.99           C  
-ATOM    936  CG  HIS A 122      39.129  24.651  16.114  1.00  3.36           C  
-ATOM    937  ND1 HIS A 122      38.593  24.765  14.853  1.00  6.21           N  
-ATOM    938  CD2 HIS A 122      39.210  23.327  16.368  1.00  3.36           C  
-ATOM    939  CE1 HIS A 122      38.355  23.563  14.365  1.00  9.18           C  
-ATOM    940  NE2 HIS A 122      38.721  22.671  15.265  1.00  5.54           N  
-ATOM    941  N   ALA A 123      42.204  25.286  18.427  1.00  7.79           N  
-ATOM    942  CA  ALA A 123      43.417  24.531  18.511  1.00 11.18           C  
-ATOM    943  C   ALA A 123      43.646  24.084  19.962  1.00 14.74           C  
-ATOM    944  O   ALA A 123      44.036  22.944  20.206  1.00 19.57           O  
-ATOM    945  CB  ALA A 123      44.585  25.366  17.995  1.00  5.05           C  
-ATOM    946  N   SER A 124      43.399  24.962  20.928  1.00 16.09           N  
-ATOM    947  CA  SER A 124      43.610  24.586  22.332  1.00 18.25           C  
-ATOM    948  C   SER A 124      42.684  23.436  22.719  1.00 15.45           C  
-ATOM    949  O   SER A 124      43.075  22.539  23.456  1.00 11.32           O  
-ATOM    950  CB  SER A 124      43.342  25.767  23.267  1.00 13.84           C  
-ATOM    951  OG  SER A 124      44.178  26.865  22.982  1.00 15.01           O  
-ATOM    952  N   LEU A 125      41.455  23.477  22.218  1.00 13.33           N  
-ATOM    953  CA  LEU A 125      40.484  22.444  22.517  1.00 15.38           C  
-ATOM    954  C   LEU A 125      40.903  21.124  21.902  1.00 19.04           C  
-ATOM    955  O   LEU A 125      40.731  20.054  22.502  1.00 22.54           O  
-ATOM    956  CB  LEU A 125      39.102  22.820  21.981  1.00 16.28           C  
-ATOM    957  CG  LEU A 125      38.040  23.308  22.973  1.00 12.75           C  
-ATOM    958  CD1 LEU A 125      36.655  23.267  22.309  1.00  3.36           C  
-ATOM    959  CD2 LEU A 125      38.067  22.426  24.209  1.00 14.54           C  
-ATOM    960  N   ASP A 126      41.454  21.197  20.698  1.00 18.45           N  
-ATOM    961  CA  ASP A 126      41.884  19.996  20.010  1.00 15.26           C  
-ATOM    962  C   ASP A 126      43.010  19.280  20.739  1.00 12.31           C  
-ATOM    963  O   ASP A 126      43.022  18.047  20.810  1.00 13.63           O  
-ATOM    964  CB  ASP A 126      42.297  20.341  18.598  1.00 15.04           C  
-ATOM    965  CG  ASP A 126      42.575  19.127  17.778  1.00 20.52           C  
-ATOM    966  OD1 ASP A 126      43.774  18.827  17.600  1.00 19.43           O  
-ATOM    967  OD2 ASP A 126      41.599  18.479  17.321  1.00 17.96           O  
-ATOM    968  N   LYS A 127      43.945  20.043  21.295  1.00 10.38           N  
-ATOM    969  CA  LYS A 127      45.056  19.445  22.030  1.00 17.80           C  
-ATOM    970  C   LYS A 127      44.532  18.849  23.342  1.00 23.29           C  
-ATOM    971  O   LYS A 127      45.048  17.838  23.848  1.00 25.86           O  
-ATOM    972  CB  LYS A 127      46.141  20.488  22.339  1.00 16.85           C  
-ATOM    973  CG  LYS A 127      46.644  21.266  21.132  1.00 18.29           C  
-ATOM    974  CD  LYS A 127      47.945  21.993  21.431  1.00 17.16           C  
-ATOM    975  CE  LYS A 127      48.179  23.091  20.402  1.00 26.61           C  
-ATOM    976  NZ  LYS A 127      47.706  22.708  19.026  1.00 31.56           N  
-ATOM    977  N   PHE A 128      43.501  19.486  23.889  1.00 21.11           N  
-ATOM    978  CA  PHE A 128      42.902  19.039  25.129  1.00 18.18           C  
-ATOM    979  C   PHE A 128      42.279  17.657  24.937  1.00 18.79           C  
-ATOM    980  O   PHE A 128      42.517  16.739  25.716  1.00 18.50           O  
-ATOM    981  CB  PHE A 128      41.836  20.044  25.569  1.00 18.80           C  
-ATOM    982  CG  PHE A 128      41.127  19.664  26.835  1.00 15.26           C  
-ATOM    983  CD1 PHE A 128      41.816  19.621  28.042  1.00  4.15           C  
-ATOM    984  CD2 PHE A 128      39.776  19.308  26.808  1.00 12.46           C  
-ATOM    985  CE1 PHE A 128      41.176  19.226  29.202  1.00 13.04           C  
-ATOM    986  CE2 PHE A 128      39.124  18.909  27.970  1.00 11.16           C  
-ATOM    987  CZ  PHE A 128      39.824  18.866  29.167  1.00 12.11           C  
-ATOM    988  N   LEU A 129      41.478  17.526  23.888  1.00 20.00           N  
-ATOM    989  CA  LEU A 129      40.809  16.274  23.578  1.00 19.34           C  
-ATOM    990  C   LEU A 129      41.767  15.139  23.204  1.00 24.48           C  
-ATOM    991  O   LEU A 129      41.544  14.002  23.613  1.00 27.35           O  
-ATOM    992  CB  LEU A 129      39.802  16.498  22.454  1.00 16.29           C  
-ATOM    993  CG  LEU A 129      38.734  17.532  22.790  1.00 15.26           C  
-ATOM    994  CD1 LEU A 129      37.841  17.793  21.588  1.00  9.02           C  
-ATOM    995  CD2 LEU A 129      37.930  17.029  23.988  1.00 14.57           C  
-ATOM    996  N   CYS A 130      42.821  15.414  22.431  1.00 25.01           N  
-ATOM    997  CA  CYS A 130      43.751  14.333  22.091  1.00 24.18           C  
-ATOM    998  C   CYS A 130      44.397  13.891  23.420  1.00 20.85           C  
-ATOM    999  O   CYS A 130      44.601  12.704  23.646  1.00 23.95           O  
-ATOM   1000  CB  CYS A 130      44.816  14.789  21.046  1.00 26.40           C  
-ATOM   1001  SG  CYS A 130      45.051  13.684  19.546  1.00 15.56           S  
-ATOM   1002  N   ALA A 131      44.673  14.843  24.311  1.00 18.03           N  
-ATOM   1003  CA  ALA A 131      45.272  14.531  25.612  1.00 15.05           C  
-ATOM   1004  C   ALA A 131      44.334  13.659  26.425  1.00 11.26           C  
-ATOM   1005  O   ALA A 131      44.727  12.653  26.984  1.00 12.95           O  
-ATOM   1006  CB  ALA A 131      45.565  15.806  26.382  1.00 14.48           C  
-ATOM   1007  N   VAL A 132      43.083  14.065  26.493  1.00 11.17           N  
-ATOM   1008  CA  VAL A 132      42.078  13.324  27.230  1.00 13.81           C  
-ATOM   1009  C   VAL A 132      41.933  11.926  26.637  1.00 19.76           C  
-ATOM   1010  O   VAL A 132      42.112  10.925  27.335  1.00 26.31           O  
-ATOM   1011  CB  VAL A 132      40.723  14.076  27.194  1.00  5.02           C  
-ATOM   1012  CG1 VAL A 132      39.588  13.163  27.569  1.00  3.36           C  
-ATOM   1013  CG2 VAL A 132      40.787  15.266  28.134  1.00  3.36           C  
-ATOM   1014  N   GLY A 133      41.619  11.855  25.350  1.00 20.94           N  
-ATOM   1015  CA  GLY A 133      41.474  10.565  24.704  1.00 21.73           C  
-ATOM   1016  C   GLY A 133      42.713   9.706  24.899  1.00 21.95           C  
-ATOM   1017  O   GLY A 133      42.603   8.483  25.010  1.00 22.32           O  
-ATOM   1018  N   THR A 134      43.894  10.326  24.932  1.00 18.59           N  
-ATOM   1019  CA  THR A 134      45.111   9.547  25.132  1.00 20.02           C  
-ATOM   1020  C   THR A 134      44.982   8.834  26.460  1.00 21.42           C  
-ATOM   1021  O   THR A 134      44.967   7.626  26.490  1.00 24.97           O  
-ATOM   1022  CB  THR A 134      46.380  10.405  25.157  1.00 15.43           C  
-ATOM   1023  OG1 THR A 134      46.725  10.788  23.822  1.00 17.45           O  
-ATOM   1024  CG2 THR A 134      47.523   9.619  25.754  1.00 13.02           C  
-ATOM   1025  N   VAL A 135      44.863   9.593  27.544  1.00 19.14           N  
-ATOM   1026  CA  VAL A 135      44.708   9.044  28.889  1.00 14.51           C  
-ATOM   1027  C   VAL A 135      43.596   7.985  29.015  1.00 11.55           C  
-ATOM   1028  O   VAL A 135      43.774   6.967  29.683  1.00  9.64           O  
-ATOM   1029  CB  VAL A 135      44.442  10.198  29.912  1.00 17.14           C  
-ATOM   1030  CG1 VAL A 135      43.977   9.640  31.238  1.00 15.52           C  
-ATOM   1031  CG2 VAL A 135      45.705  11.019  30.116  1.00  9.39           C  
-ATOM   1032  N   LEU A 136      42.460   8.219  28.369  1.00  9.30           N  
-ATOM   1033  CA  LEU A 136      41.337   7.288  28.448  1.00 11.00           C  
-ATOM   1034  C   LEU A 136      41.522   5.947  27.769  1.00 11.70           C  
-ATOM   1035  O   LEU A 136      40.680   5.065  27.903  1.00 12.47           O  
-ATOM   1036  CB  LEU A 136      40.056   7.944  27.928  1.00 16.94           C  
-ATOM   1037  CG  LEU A 136      39.332   8.869  28.915  1.00 20.79           C  
-ATOM   1038  CD1 LEU A 136      38.869   8.087  30.140  1.00 23.09           C  
-ATOM   1039  CD2 LEU A 136      40.273   9.966  29.359  1.00 23.28           C  
-ATOM   1040  N   THR A 137      42.603   5.801  27.016  1.00 16.87           N  
-ATOM   1041  CA  THR A 137      42.927   4.535  26.353  1.00 22.39           C  
-ATOM   1042  C   THR A 137      44.371   4.295  26.750  1.00 29.11           C  
-ATOM   1043  O   THR A 137      44.853   3.168  26.801  1.00 30.06           O  
-ATOM   1044  CB  THR A 137      42.868   4.620  24.792  1.00 20.22           C  
-ATOM   1045  OG1 THR A 137      43.776   5.624  24.312  1.00  3.55           O  
-ATOM   1046  CG2 THR A 137      41.472   4.944  24.323  1.00 22.33           C  
-ATOM   1047  N   ALA A 138      45.032   5.404  27.061  1.00 38.60           N  
-ATOM   1048  CA  ALA A 138      46.444   5.461  27.434  1.00 45.42           C  
-ATOM   1049  C   ALA A 138      46.995   4.341  28.270  1.00 48.45           C  
-ATOM   1050  O   ALA A 138      48.212   4.196  28.328  1.00 49.23           O  
-ATOM   1051  CB  ALA A 138      46.777   6.812  28.127  1.00 42.27           C  
-ATOM   1052  N   LYS A 139      46.143   3.565  28.935  1.00 51.22           N  
-ATOM   1053  CA  LYS A 139      46.670   2.474  29.747  1.00 59.01           C  
-ATOM   1054  C   LYS A 139      47.841   1.892  28.943  1.00 63.57           C  
-ATOM   1055  O   LYS A 139      48.846   1.434  29.513  1.00 64.33           O  
-ATOM   1056  CB  LYS A 139      45.594   1.400  29.995  1.00 59.28           C  
-ATOM   1057  CG  LYS A 139      45.899   0.428  31.159  1.00 55.22           C  
-ATOM   1058  CD  LYS A 139      46.089   1.174  32.494  1.00 54.61           C  
-ATOM   1059  CE  LYS A 139      44.852   2.006  32.876  1.00 52.75           C  
-ATOM   1060  NZ  LYS A 139      45.080   2.915  34.043  1.00 49.13           N  
-ATOM   1061  N   TYR A 140      47.704   1.971  27.614  1.00 64.42           N  
-ATOM   1062  CA  TYR A 140      48.704   1.484  26.661  1.00 64.35           C  
-ATOM   1063  C   TYR A 140      49.896   2.465  26.498  1.00 61.61           C  
-ATOM   1064  O   TYR A 140      50.619   2.401  25.504  1.00 62.04           O  
-ATOM   1065  CB  TYR A 140      48.050   1.236  25.276  1.00 66.09           C  
-ATOM   1066  CG  TYR A 140      46.527   1.027  25.258  1.00 66.99           C  
-ATOM   1067  CD1 TYR A 140      45.706   1.824  24.449  1.00 64.32           C  
-ATOM   1068  CD2 TYR A 140      45.913   0.020  26.018  1.00 67.56           C  
-ATOM   1069  CE1 TYR A 140      44.312   1.627  24.395  1.00 64.19           C  
-ATOM   1070  CE2 TYR A 140      44.513  -0.187  25.965  1.00 67.55           C  
-ATOM   1071  CZ  TYR A 140      43.724   0.622  25.150  1.00 65.35           C  
-ATOM   1072  OH  TYR A 140      42.358   0.431  25.085  1.00 61.56           O  
-ATOM   1073  N   ARG A 141      50.084   3.370  27.463  1.00 57.61           N  
-ATOM   1074  CA  ARG A 141      51.177   4.358  27.450  1.00 54.66           C  
-ATOM   1075  C   ARG A 141      51.663   4.700  28.858  1.00 52.01           C  
-ATOM   1076  O   ARG A 141      51.310   3.975  29.826  1.00 42.85           O  
-ATOM   1077  CB  ARG A 141      50.753   5.679  26.792  1.00 57.33           C  
-ATOM   1078  CG  ARG A 141      51.459   6.001  25.483  1.00 62.32           C  
-ATOM   1079  CD  ARG A 141      50.826   5.238  24.305  1.00 66.06           C  
-ATOM   1080  NE  ARG A 141      49.442   5.644  24.050  1.00 59.27           N  
-ATOM   1081  CZ  ARG A 141      48.389   5.252  24.765  1.00 55.01           C  
-ATOM   1082  NH1 ARG A 141      48.530   4.428  25.794  1.00 43.98           N  
-ATOM   1083  NH2 ARG A 141      47.183   5.703  24.456  1.00 58.46           N  
-ATOM   1084  OXT ARG A 141      52.393   5.719  28.951  1.00 46.47           O  
-TER    1085      ARG A 141                                                      
-ATOM   1086  N   VAL B   1      29.524   5.202  -4.603  1.00 52.02           N  
-ATOM   1087  CA  VAL B   1      28.641   5.255  -3.402  1.00 54.51           C  
-ATOM   1088  C   VAL B   1      27.164   5.414  -3.797  1.00 54.35           C  
-ATOM   1089  O   VAL B   1      26.822   5.696  -4.952  1.00 56.36           O  
-ATOM   1090  CB  VAL B   1      29.055   6.428  -2.454  1.00 55.74           C  
-ATOM   1091  CG1 VAL B   1      28.252   6.378  -1.153  1.00 54.81           C  
-ATOM   1092  CG2 VAL B   1      30.547   6.340  -2.139  1.00 55.65           C  
-ATOM   1093  N   HIS B   2      26.292   5.219  -2.822  1.00 52.42           N  
-ATOM   1094  CA  HIS B   2      24.865   5.329  -3.042  1.00 49.81           C  
-ATOM   1095  C   HIS B   2      24.334   6.537  -2.244  1.00 46.42           C  
-ATOM   1096  O   HIS B   2      24.575   6.650  -1.042  1.00 44.46           O  
-ATOM   1097  CB  HIS B   2      24.217   4.011  -2.599  1.00 51.07           C  
-ATOM   1098  CG  HIS B   2      22.730   4.076  -2.473  1.00 61.36           C  
-ATOM   1099  ND1 HIS B   2      22.085   4.050  -1.254  1.00 64.51           N  
-ATOM   1100  CD2 HIS B   2      21.756   4.176  -3.412  1.00 64.44           C  
-ATOM   1101  CE1 HIS B   2      20.781   4.134  -1.446  1.00 65.15           C  
-ATOM   1102  NE2 HIS B   2      20.554   4.213  -2.746  1.00 66.46           N  
-ATOM   1103  N   TRP B   3      23.638   7.452  -2.909  1.00 42.63           N  
-ATOM   1104  CA  TRP B   3      23.096   8.621  -2.212  1.00 41.42           C  
-ATOM   1105  C   TRP B   3      21.579   8.554  -2.088  1.00 40.17           C  
-ATOM   1106  O   TRP B   3      20.873   8.532  -3.095  1.00 42.68           O  
-ATOM   1107  CB  TRP B   3      23.461   9.936  -2.932  1.00 39.64           C  
-ATOM   1108  CG  TRP B   3      24.928  10.192  -3.040  1.00 37.63           C  
-ATOM   1109  CD1 TRP B   3      25.751   9.827  -4.067  1.00 40.08           C  
-ATOM   1110  CD2 TRP B   3      25.767  10.787  -2.046  1.00 33.96           C  
-ATOM   1111  NE1 TRP B   3      27.055  10.153  -3.768  1.00 39.50           N  
-ATOM   1112  CE2 TRP B   3      27.091  10.743  -2.533  1.00 36.21           C  
-ATOM   1113  CE3 TRP B   3      25.531  11.347  -0.791  1.00 32.39           C  
-ATOM   1114  CZ2 TRP B   3      28.173  11.238  -1.805  1.00 35.65           C  
-ATOM   1115  CZ3 TRP B   3      26.609  11.841  -0.068  1.00 32.89           C  
-ATOM   1116  CH2 TRP B   3      27.911  11.782  -0.576  1.00 31.52           C  
-ATOM   1117  N   SER B   4      21.071   8.528  -0.860  1.00 38.02           N  
-ATOM   1118  CA  SER B   4      19.627   8.494  -0.677  1.00 37.70           C  
-ATOM   1119  C   SER B   4      19.100   9.821  -1.234  1.00 39.49           C  
-ATOM   1120  O   SER B   4      19.821  10.818  -1.269  1.00 42.68           O  
-ATOM   1121  CB  SER B   4      19.253   8.312   0.809  1.00 32.01           C  
-ATOM   1122  OG  SER B   4      19.620   9.424   1.602  1.00 28.53           O  
-ATOM   1123  N   ALA B   5      17.853   9.825  -1.693  1.00 41.47           N  
-ATOM   1124  CA  ALA B   5      17.253  11.023  -2.273  1.00 39.15           C  
-ATOM   1125  C   ALA B   5      17.259  12.241  -1.348  1.00 38.64           C  
-ATOM   1126  O   ALA B   5      17.270  13.379  -1.824  1.00 39.95           O  
-ATOM   1127  CB  ALA B   5      15.836  10.717  -2.723  1.00 40.26           C  
-ATOM   1128  N   GLU B   6      17.238  12.012  -0.038  1.00 35.17           N  
-ATOM   1129  CA  GLU B   6      17.257  13.117   0.910  1.00 36.83           C  
-ATOM   1130  C   GLU B   6      18.686  13.601   1.045  1.00 39.08           C  
-ATOM   1131  O   GLU B   6      18.937  14.808   1.068  1.00 42.31           O  
-ATOM   1132  CB  GLU B   6      16.721  12.682   2.270  1.00 40.32           C  
-ATOM   1133  CG  GLU B   6      16.583  11.178   2.415  1.00 51.79           C  
-ATOM   1134  CD  GLU B   6      15.584  10.589   1.425  1.00 54.55           C  
-ATOM   1135  OE1 GLU B   6      15.969   9.691   0.636  1.00 51.70           O  
-ATOM   1136  OE2 GLU B   6      14.413  11.031   1.444  1.00 58.94           O  
-ATOM   1137  N   GLU B   7      19.632  12.669   1.130  1.00 35.70           N  
-ATOM   1138  CA  GLU B   7      21.026  13.069   1.237  1.00 34.28           C  
-ATOM   1139  C   GLU B   7      21.305  14.145   0.197  1.00 35.71           C  
-ATOM   1140  O   GLU B   7      21.919  15.177   0.498  1.00 36.44           O  
-ATOM   1141  CB  GLU B   7      21.952  11.876   1.019  1.00 28.87           C  
-ATOM   1142  CG  GLU B   7      22.184  11.084   2.274  1.00 26.23           C  
-ATOM   1143  CD  GLU B   7      23.076   9.900   2.046  1.00 30.73           C  
-ATOM   1144  OE1 GLU B   7      23.455   9.252   3.049  1.00 34.63           O  
-ATOM   1145  OE2 GLU B   7      23.394   9.618   0.867  1.00 30.42           O  
-ATOM   1146  N   LYS B   8      20.833  13.916  -1.025  1.00 34.54           N  
-ATOM   1147  CA  LYS B   8      21.051  14.890  -2.080  1.00 38.24           C  
-ATOM   1148  C   LYS B   8      20.341  16.190  -1.705  1.00 37.83           C  
-ATOM   1149  O   LYS B   8      20.935  17.267  -1.726  1.00 38.67           O  
-ATOM   1150  CB  LYS B   8      20.541  14.340  -3.416  1.00 38.05           C  
-ATOM   1151  CG  LYS B   8      21.244  13.059  -3.832  1.00 39.65           C  
-ATOM   1152  CD  LYS B   8      20.925  12.641  -5.264  1.00 39.18           C  
-ATOM   1153  CE  LYS B   8      21.663  11.343  -5.627  1.00 40.86           C  
-ATOM   1154  NZ  LYS B   8      21.505  10.944  -7.060  1.00 41.70           N  
-ATOM   1155  N   GLN B   9      19.069  16.073  -1.348  1.00 39.25           N  
-ATOM   1156  CA  GLN B   9      18.254  17.221  -0.942  1.00 39.21           C  
-ATOM   1157  C   GLN B   9      19.005  18.029   0.123  1.00 34.22           C  
-ATOM   1158  O   GLN B   9      19.282  19.213  -0.063  1.00 30.20           O  
-ATOM   1159  CB  GLN B   9      16.925  16.709  -0.378  1.00 43.60           C  
-ATOM   1160  CG  GLN B   9      16.017  17.751   0.234  1.00 50.00           C  
-ATOM   1161  CD  GLN B   9      15.173  17.167   1.365  1.00 61.11           C  
-ATOM   1162  OE1 GLN B   9      15.435  17.414   2.551  1.00 62.17           O  
-ATOM   1163  NE2 GLN B   9      14.164  16.373   1.002  1.00 64.02           N  
-ATOM   1164  N   LEU B  10      19.325  17.367   1.234  1.00 30.00           N  
-ATOM   1165  CA  LEU B  10      20.056  17.972   2.343  1.00 28.24           C  
-ATOM   1166  C   LEU B  10      21.272  18.772   1.880  1.00 29.06           C  
-ATOM   1167  O   LEU B  10      21.511  19.888   2.350  1.00 28.96           O  
-ATOM   1168  CB  LEU B  10      20.552  16.881   3.295  1.00 28.94           C  
-ATOM   1169  CG  LEU B  10      19.648  16.311   4.388  1.00 24.89           C  
-ATOM   1170  CD1 LEU B  10      19.320  17.419   5.370  1.00 24.77           C  
-ATOM   1171  CD2 LEU B  10      18.386  15.717   3.778  1.00 29.81           C  
-ATOM   1172  N   ILE B  11      22.034  18.179   0.962  1.00 28.13           N  
-ATOM   1173  CA  ILE B  11      23.255  18.775   0.432  1.00 26.70           C  
-ATOM   1174  C   ILE B  11      23.050  19.958  -0.502  1.00 27.25           C  
-ATOM   1175  O   ILE B  11      23.596  21.036  -0.275  1.00 28.84           O  
-ATOM   1176  CB  ILE B  11      24.124  17.690  -0.287  1.00 25.89           C  
-ATOM   1177  CG1 ILE B  11      24.694  16.727   0.748  1.00 20.28           C  
-ATOM   1178  CG2 ILE B  11      25.256  18.336  -1.083  1.00 24.12           C  
-ATOM   1179  CD1 ILE B  11      25.314  15.508   0.154  1.00 25.88           C  
-ATOM   1180  N   THR B  12      22.271  19.771  -1.555  1.00 28.33           N  
-ATOM   1181  CA  THR B  12      22.055  20.855  -2.508  1.00 34.33           C  
-ATOM   1182  C   THR B  12      21.348  22.089  -1.932  1.00 33.95           C  
-ATOM   1183  O   THR B  12      21.592  23.216  -2.376  1.00 35.61           O  
-ATOM   1184  CB  THR B  12      21.275  20.358  -3.720  1.00 33.77           C  
-ATOM   1185  OG1 THR B  12      20.037  19.787  -3.280  1.00 38.79           O  
-ATOM   1186  CG2 THR B  12      22.089  19.313  -4.472  1.00 33.93           C  
-ATOM   1187  N   GLY B  13      20.467  21.885  -0.959  1.00 30.87           N  
-ATOM   1188  CA  GLY B  13      19.783  23.015  -0.364  1.00 23.48           C  
-ATOM   1189  C   GLY B  13      20.805  23.872   0.351  1.00 25.29           C  
-ATOM   1190  O   GLY B  13      20.995  25.040   0.014  1.00 28.02           O  
-ATOM   1191  N   LEU B  14      21.478  23.280   1.336  1.00 26.83           N  
-ATOM   1192  CA  LEU B  14      22.500  23.980   2.113  1.00 22.72           C  
-ATOM   1193  C   LEU B  14      23.521  24.622   1.171  1.00 20.88           C  
-ATOM   1194  O   LEU B  14      24.011  25.721   1.414  1.00 16.48           O  
-ATOM   1195  CB  LEU B  14      23.210  23.003   3.061  1.00 16.95           C  
-ATOM   1196  CG  LEU B  14      24.005  23.673   4.187  1.00 17.46           C  
-ATOM   1197  CD1 LEU B  14      23.037  24.267   5.173  1.00 17.18           C  
-ATOM   1198  CD2 LEU B  14      24.900  22.675   4.897  1.00 18.26           C  
-ATOM   1199  N   TRP B  15      23.833  23.928   0.087  1.00 19.84           N  
-ATOM   1200  CA  TRP B  15      24.794  24.455  -0.865  1.00 25.82           C  
-ATOM   1201  C   TRP B  15      24.394  25.864  -1.311  1.00 23.49           C  
-ATOM   1202  O   TRP B  15      25.211  26.785  -1.294  1.00 19.39           O  
-ATOM   1203  CB  TRP B  15      24.894  23.537  -2.086  1.00 28.12           C  
-ATOM   1204  CG  TRP B  15      25.900  24.027  -3.056  1.00 30.41           C  
-ATOM   1205  CD1 TRP B  15      25.707  24.304  -4.379  1.00 29.62           C  
-ATOM   1206  CD2 TRP B  15      27.274  24.311  -2.778  1.00 30.09           C  
-ATOM   1207  NE1 TRP B  15      26.881  24.743  -4.941  1.00 31.38           N  
-ATOM   1208  CE2 TRP B  15      27.859  24.755  -3.981  1.00 29.65           C  
-ATOM   1209  CE3 TRP B  15      28.068  24.231  -1.625  1.00 26.95           C  
-ATOM   1210  CZ2 TRP B  15      29.208  25.119  -4.068  1.00 29.62           C  
-ATOM   1211  CZ3 TRP B  15      29.405  24.591  -1.709  1.00 27.16           C  
-ATOM   1212  CH2 TRP B  15      29.963  25.029  -2.925  1.00 28.76           C  
-ATOM   1213  N   GLY B  16      23.125  26.012  -1.689  1.00 26.05           N  
-ATOM   1214  CA  GLY B  16      22.594  27.288  -2.153  1.00 25.59           C  
-ATOM   1215  C   GLY B  16      22.777  28.455  -1.195  1.00 25.76           C  
-ATOM   1216  O   GLY B  16      22.883  29.612  -1.620  1.00 21.97           O  
-ATOM   1217  N   LYS B  17      22.805  28.159   0.101  1.00 25.07           N  
-ATOM   1218  CA  LYS B  17      23.008  29.190   1.109  1.00 24.46           C  
-ATOM   1219  C   LYS B  17      24.487  29.527   1.332  1.00 26.79           C  
-ATOM   1220  O   LYS B  17      24.827  30.679   1.588  1.00 31.46           O  
-ATOM   1221  CB  LYS B  17      22.440  28.751   2.451  1.00 25.67           C  
-ATOM   1222  CG  LYS B  17      20.978  29.011   2.657  1.00 33.29           C  
-ATOM   1223  CD  LYS B  17      20.125  27.862   2.169  1.00 36.22           C  
-ATOM   1224  CE  LYS B  17      18.731  28.004   2.740  1.00 35.89           C  
-ATOM   1225  NZ  LYS B  17      18.795  28.071   4.224  1.00 29.13           N  
-ATOM   1226  N   VAL B  18      25.358  28.525   1.227  1.00 23.34           N  
-ATOM   1227  CA  VAL B  18      26.789  28.702   1.482  1.00 22.45           C  
-ATOM   1228  C   VAL B  18      27.538  29.839   0.815  1.00 21.36           C  
-ATOM   1229  O   VAL B  18      27.553  29.976  -0.402  1.00 16.54           O  
-ATOM   1230  CB  VAL B  18      27.586  27.436   1.163  1.00 20.42           C  
-ATOM   1231  CG1 VAL B  18      29.013  27.598   1.643  1.00 17.09           C  
-ATOM   1232  CG2 VAL B  18      26.932  26.253   1.800  1.00 17.63           C  
-ATOM   1233  N   ASN B  19      28.187  30.635   1.649  1.00 21.44           N  
-ATOM   1234  CA  ASN B  19      28.991  31.737   1.185  1.00 21.37           C  
-ATOM   1235  C   ASN B  19      30.385  31.122   1.063  1.00 25.59           C  
-ATOM   1236  O   ASN B  19      31.147  31.119   2.032  1.00 30.47           O  
-ATOM   1237  CB  ASN B  19      28.991  32.832   2.240  1.00 19.53           C  
-ATOM   1238  CG  ASN B  19      29.780  34.038   1.821  1.00 18.17           C  
-ATOM   1239  OD1 ASN B  19      30.770  33.916   1.112  1.00 27.57           O  
-ATOM   1240  ND2 ASN B  19      29.361  35.214   2.271  1.00 15.81           N  
-ATOM   1241  N   VAL B  20      30.720  30.589  -0.110  1.00 23.92           N  
-ATOM   1242  CA  VAL B  20      32.024  29.949  -0.288  1.00 22.69           C  
-ATOM   1243  C   VAL B  20      33.197  30.839   0.142  1.00 19.83           C  
-ATOM   1244  O   VAL B  20      34.230  30.352   0.586  1.00 20.97           O  
-ATOM   1245  CB  VAL B  20      32.248  29.473  -1.770  1.00 22.22           C  
-ATOM   1246  CG1 VAL B  20      31.026  28.721  -2.283  1.00 17.13           C  
-ATOM   1247  CG2 VAL B  20      32.554  30.647  -2.665  1.00 26.40           C  
-ATOM   1248  N   ALA B  21      33.027  32.145   0.028  1.00 18.64           N  
-ATOM   1249  CA  ALA B  21      34.077  33.092   0.387  1.00 23.17           C  
-ATOM   1250  C   ALA B  21      34.461  33.061   1.856  1.00 24.12           C  
-ATOM   1251  O   ALA B  21      35.620  32.853   2.193  1.00 24.71           O  
-ATOM   1252  CB  ALA B  21      33.646  34.506   0.001  1.00 26.67           C  
-ATOM   1253  N   ASP B  22      33.486  33.298   2.726  1.00 28.42           N  
-ATOM   1254  CA  ASP B  22      33.718  33.295   4.163  1.00 31.35           C  
-ATOM   1255  C   ASP B  22      34.046  31.906   4.692  1.00 28.28           C  
-ATOM   1256  O   ASP B  22      35.015  31.724   5.438  1.00 24.90           O  
-ATOM   1257  CB  ASP B  22      32.487  33.826   4.889  1.00 39.27           C  
-ATOM   1258  CG  ASP B  22      32.309  35.318   4.707  1.00 48.10           C  
-ATOM   1259  OD1 ASP B  22      32.905  35.867   3.754  1.00 50.52           O  
-ATOM   1260  OD2 ASP B  22      31.571  35.936   5.511  1.00 54.97           O  
-ATOM   1261  N   CYS B  23      33.232  30.926   4.311  1.00 26.00           N  
-ATOM   1262  CA  CYS B  23      33.452  29.563   4.769  1.00 26.37           C  
-ATOM   1263  C   CYS B  23      34.809  29.027   4.320  1.00 20.28           C  
-ATOM   1264  O   CYS B  23      35.589  28.519   5.135  1.00 14.48           O  
-ATOM   1265  CB  CYS B  23      32.313  28.660   4.286  1.00 27.05           C  
-ATOM   1266  SG  CYS B  23      30.716  29.033   5.074  1.00 28.85           S  
-ATOM   1267  N   GLY B  24      35.093  29.159   3.027  1.00 19.61           N  
-ATOM   1268  CA  GLY B  24      36.359  28.690   2.494  1.00 10.00           C  
-ATOM   1269  C   GLY B  24      37.566  29.265   3.209  1.00  7.79           C  
-ATOM   1270  O   GLY B  24      38.531  28.557   3.469  1.00  6.51           O  
-ATOM   1271  N   ALA B  25      37.511  30.550   3.538  1.00  7.35           N  
-ATOM   1272  CA  ALA B  25      38.619  31.222   4.214  1.00  6.88           C  
-ATOM   1273  C   ALA B  25      38.730  30.741   5.637  1.00  8.94           C  
-ATOM   1274  O   ALA B  25      39.817  30.409   6.100  1.00 14.55           O  
-ATOM   1275  CB  ALA B  25      38.411  32.732   4.189  1.00 12.97           C  
-ATOM   1276  N   GLU B  26      37.596  30.728   6.325  1.00  3.71           N  
-ATOM   1277  CA  GLU B  26      37.513  30.268   7.689  1.00  5.45           C  
-ATOM   1278  C   GLU B  26      38.140  28.875   7.795  1.00  9.37           C  
-ATOM   1279  O   GLU B  26      38.928  28.589   8.699  1.00  7.69           O  
-ATOM   1280  CB  GLU B  26      36.045  30.174   8.078  1.00 16.59           C  
-ATOM   1281  CG  GLU B  26      35.816  29.883   9.534  1.00 24.30           C  
-ATOM   1282  CD  GLU B  26      36.032  31.113  10.359  1.00 31.88           C  
-ATOM   1283  OE1 GLU B  26      35.072  31.914  10.463  1.00 35.89           O  
-ATOM   1284  OE2 GLU B  26      37.162  31.288  10.873  1.00 28.54           O  
-ATOM   1285  N   ALA B  27      37.782  28.006   6.856  1.00  9.52           N  
-ATOM   1286  CA  ALA B  27      38.285  26.643   6.851  1.00 10.92           C  
-ATOM   1287  C   ALA B  27      39.805  26.491   6.654  1.00 13.93           C  
-ATOM   1288  O   ALA B  27      40.504  25.957   7.521  1.00 17.29           O  
-ATOM   1289  CB  ALA B  27      37.535  25.841   5.812  1.00  3.36           C  
-ATOM   1290  N   LEU B  28      40.328  26.949   5.524  1.00 13.68           N  
-ATOM   1291  CA  LEU B  28      41.752  26.806   5.285  1.00 11.84           C  
-ATOM   1292  C   LEU B  28      42.551  27.444   6.410  1.00 12.62           C  
-ATOM   1293  O   LEU B  28      43.632  26.982   6.760  1.00 14.51           O  
-ATOM   1294  CB  LEU B  28      42.142  27.455   3.974  1.00 16.87           C  
-ATOM   1295  CG  LEU B  28      43.464  26.900   3.460  1.00 15.90           C  
-ATOM   1296  CD1 LEU B  28      43.179  25.592   2.738  1.00 15.41           C  
-ATOM   1297  CD2 LEU B  28      44.122  27.889   2.545  1.00 11.11           C  
-ATOM   1298  N   ALA B  29      42.019  28.517   6.975  1.00 10.25           N  
-ATOM   1299  CA  ALA B  29      42.696  29.186   8.071  1.00  9.74           C  
-ATOM   1300  C   ALA B  29      42.823  28.190   9.229  1.00 12.62           C  
-ATOM   1301  O   ALA B  29      43.932  27.834   9.643  1.00  9.89           O  
-ATOM   1302  CB  ALA B  29      41.897  30.405   8.499  1.00  7.75           C  
-ATOM   1303  N   ARG B  30      41.675  27.727   9.730  1.00 13.66           N  
-ATOM   1304  CA  ARG B  30      41.645  26.777  10.840  1.00 11.94           C  
-ATOM   1305  C   ARG B  30      42.536  25.563  10.609  1.00 13.14           C  
-ATOM   1306  O   ARG B  30      43.179  25.085  11.552  1.00 12.00           O  
-ATOM   1307  CB  ARG B  30      40.207  26.327  11.129  1.00 11.22           C  
-ATOM   1308  CG  ARG B  30      39.364  27.410  11.790  1.00  7.03           C  
-ATOM   1309  CD  ARG B  30      37.913  26.995  11.924  1.00  8.76           C  
-ATOM   1310  NE  ARG B  30      37.120  28.044  12.553  1.00 13.93           N  
-ATOM   1311  CZ  ARG B  30      37.142  28.320  13.851  1.00 15.05           C  
-ATOM   1312  NH1 ARG B  30      37.913  27.625  14.661  1.00 24.25           N  
-ATOM   1313  NH2 ARG B  30      36.392  29.288  14.343  1.00 14.18           N  
-ATOM   1314  N   LEU B  31      42.597  25.063   9.371  1.00 11.70           N  
-ATOM   1315  CA  LEU B  31      43.450  23.909   9.113  1.00  7.32           C  
-ATOM   1316  C   LEU B  31      44.877  24.282   9.444  1.00  8.88           C  
-ATOM   1317  O   LEU B  31      45.545  23.563  10.189  1.00 10.58           O  
-ATOM   1318  CB  LEU B  31      43.389  23.455   7.658  1.00  8.74           C  
-ATOM   1319  CG  LEU B  31      44.322  22.272   7.323  1.00 10.04           C  
-ATOM   1320  CD1 LEU B  31      43.678  20.954   7.711  1.00 10.75           C  
-ATOM   1321  CD2 LEU B  31      44.624  22.268   5.838  1.00  9.58           C  
-ATOM   1322  N   LEU B  32      45.335  25.414   8.908  1.00  4.75           N  
-ATOM   1323  CA  LEU B  32      46.699  25.844   9.152  1.00  5.69           C  
-ATOM   1324  C   LEU B  32      46.958  26.089  10.630  1.00  6.20           C  
-ATOM   1325  O   LEU B  32      48.021  25.747  11.148  1.00 10.16           O  
-ATOM   1326  CB  LEU B  32      47.027  27.104   8.342  1.00  7.38           C  
-ATOM   1327  CG  LEU B  32      46.846  27.048   6.813  1.00  6.45           C  
-ATOM   1328  CD1 LEU B  32      47.100  28.396   6.240  1.00  3.95           C  
-ATOM   1329  CD2 LEU B  32      47.771  26.066   6.185  1.00  4.14           C  
-ATOM   1330  N   ILE B  33      45.986  26.654  11.327  1.00  4.99           N  
-ATOM   1331  CA  ILE B  33      46.171  26.942  12.744  1.00  8.76           C  
-ATOM   1332  C   ILE B  33      46.171  25.741  13.704  1.00  7.40           C  
-ATOM   1333  O   ILE B  33      47.016  25.641  14.596  1.00  3.68           O  
-ATOM   1334  CB  ILE B  33      45.133  27.975  13.189  1.00 10.70           C  
-ATOM   1335  CG1 ILE B  33      45.386  29.264  12.401  1.00 13.43           C  
-ATOM   1336  CG2 ILE B  33      45.225  28.216  14.698  1.00  4.49           C  
-ATOM   1337  CD1 ILE B  33      44.226  30.232  12.365  1.00 21.46           C  
-ATOM   1338  N   VAL B  34      45.236  24.826  13.513  1.00  6.23           N  
-ATOM   1339  CA  VAL B  34      45.151  23.658  14.371  1.00  9.14           C  
-ATOM   1340  C   VAL B  34      46.214  22.595  14.090  1.00 10.39           C  
-ATOM   1341  O   VAL B  34      46.790  22.037  15.011  1.00 13.61           O  
-ATOM   1342  CB  VAL B  34      43.759  23.039  14.261  1.00  5.96           C  
-ATOM   1343  CG1 VAL B  34      43.668  21.768  15.104  1.00  3.36           C  
-ATOM   1344  CG2 VAL B  34      42.737  24.068  14.690  1.00  3.36           C  
-ATOM   1345  N   TYR B  35      46.467  22.324  12.813  1.00 14.32           N  
-ATOM   1346  CA  TYR B  35      47.441  21.323  12.395  1.00 10.12           C  
-ATOM   1347  C   TYR B  35      48.571  22.018  11.665  1.00  8.82           C  
-ATOM   1348  O   TYR B  35      48.716  21.915  10.449  1.00  6.66           O  
-ATOM   1349  CB  TYR B  35      46.768  20.300  11.489  1.00 10.62           C  
-ATOM   1350  CG  TYR B  35      45.469  19.783  12.068  1.00 14.85           C  
-ATOM   1351  CD1 TYR B  35      45.431  19.202  13.336  1.00 12.17           C  
-ATOM   1352  CD2 TYR B  35      44.280  19.874  11.350  1.00 14.95           C  
-ATOM   1353  CE1 TYR B  35      44.246  18.724  13.871  1.00 12.36           C  
-ATOM   1354  CE2 TYR B  35      43.086  19.394  11.877  1.00 20.14           C  
-ATOM   1355  CZ  TYR B  35      43.081  18.819  13.137  1.00 15.31           C  
-ATOM   1356  OH  TYR B  35      41.912  18.326  13.649  1.00 11.13           O  
-ATOM   1357  N   PRO B  36      49.411  22.715  12.422  1.00  7.90           N  
-ATOM   1358  CA  PRO B  36      50.569  23.481  11.978  1.00  7.44           C  
-ATOM   1359  C   PRO B  36      51.400  22.908  10.841  1.00  8.53           C  
-ATOM   1360  O   PRO B  36      51.783  23.643   9.940  1.00 12.80           O  
-ATOM   1361  CB  PRO B  36      51.381  23.623  13.253  1.00  6.45           C  
-ATOM   1362  CG  PRO B  36      50.340  23.653  14.291  1.00  8.51           C  
-ATOM   1363  CD  PRO B  36      49.427  22.566  13.883  1.00  3.36           C  
-ATOM   1364  N   TRP B  37      51.686  21.608  10.875  1.00 10.10           N  
-ATOM   1365  CA  TRP B  37      52.532  21.005   9.847  1.00  9.63           C  
-ATOM   1366  C   TRP B  37      52.032  21.217   8.439  1.00  9.94           C  
-ATOM   1367  O   TRP B  37      52.825  21.212   7.515  1.00  8.47           O  
-ATOM   1368  CB  TRP B  37      52.745  19.508  10.114  1.00  9.20           C  
-ATOM   1369  CG  TRP B  37      51.515  18.663  10.047  1.00  3.62           C  
-ATOM   1370  CD1 TRP B  37      50.979  18.065   8.946  1.00  4.72           C  
-ATOM   1371  CD2 TRP B  37      50.656  18.340  11.134  1.00 10.64           C  
-ATOM   1372  NE1 TRP B  37      49.835  17.388   9.276  1.00  3.36           N  
-ATOM   1373  CE2 TRP B  37      49.610  17.541  10.616  1.00  6.09           C  
-ATOM   1374  CE3 TRP B  37      50.666  18.648  12.509  1.00  4.29           C  
-ATOM   1375  CZ2 TRP B  37      48.586  17.047  11.417  1.00  7.67           C  
-ATOM   1376  CZ3 TRP B  37      49.653  18.159  13.301  1.00  3.36           C  
-ATOM   1377  CH2 TRP B  37      48.625  17.366  12.756  1.00  8.15           C  
-ATOM   1378  N   THR B  38      50.724  21.415   8.276  1.00 12.92           N  
-ATOM   1379  CA  THR B  38      50.144  21.646   6.947  1.00 12.35           C  
-ATOM   1380  C   THR B  38      50.682  22.921   6.290  1.00  9.43           C  
-ATOM   1381  O   THR B  38      50.632  23.070   5.068  1.00  3.64           O  
-ATOM   1382  CB  THR B  38      48.611  21.776   7.006  1.00 13.05           C  
-ATOM   1383  OG1 THR B  38      48.258  22.809   7.930  1.00 11.86           O  
-ATOM   1384  CG2 THR B  38      47.978  20.475   7.411  1.00  3.36           C  
-ATOM   1385  N   GLN B  39      51.174  23.840   7.113  1.00  3.36           N  
-ATOM   1386  CA  GLN B  39      51.725  25.084   6.613  1.00  9.69           C  
-ATOM   1387  C   GLN B  39      52.824  24.828   5.583  1.00 14.55           C  
-ATOM   1388  O   GLN B  39      53.019  25.608   4.657  1.00 16.01           O  
-ATOM   1389  CB  GLN B  39      52.289  25.897   7.765  1.00  3.85           C  
-ATOM   1390  CG  GLN B  39      51.241  26.548   8.604  1.00  6.61           C  
-ATOM   1391  CD  GLN B  39      51.840  27.285   9.772  1.00  7.25           C  
-ATOM   1392  OE1 GLN B  39      52.952  27.807   9.688  1.00  6.67           O  
-ATOM   1393  NE2 GLN B  39      51.099  27.347  10.871  1.00  6.83           N  
-ATOM   1394  N   ARG B  40      53.529  23.720   5.745  1.00 16.26           N  
-ATOM   1395  CA  ARG B  40      54.610  23.369   4.850  1.00 20.40           C  
-ATOM   1396  C   ARG B  40      54.242  23.401   3.372  1.00 21.53           C  
-ATOM   1397  O   ARG B  40      55.056  23.796   2.544  1.00 25.00           O  
-ATOM   1398  CB  ARG B  40      55.136  21.989   5.200  1.00 20.93           C  
-ATOM   1399  CG  ARG B  40      56.602  21.821   4.916  1.00 25.60           C  
-ATOM   1400  CD  ARG B  40      57.025  20.445   5.291  1.00 23.97           C  
-ATOM   1401  NE  ARG B  40      56.853  19.516   4.186  1.00 27.39           N  
-ATOM   1402  CZ  ARG B  40      57.836  19.186   3.356  1.00 33.86           C  
-ATOM   1403  NH1 ARG B  40      59.043  19.724   3.519  1.00 35.48           N  
-ATOM   1404  NH2 ARG B  40      57.629  18.294   2.392  1.00 33.84           N  
-ATOM   1405  N   PHE B  41      53.031  22.978   3.035  1.00 22.04           N  
-ATOM   1406  CA  PHE B  41      52.602  22.975   1.639  1.00 21.51           C  
-ATOM   1407  C   PHE B  41      52.208  24.349   1.111  1.00 23.26           C  
-ATOM   1408  O   PHE B  41      51.913  24.493  -0.067  1.00 28.01           O  
-ATOM   1409  CB  PHE B  41      51.415  22.039   1.440  1.00 22.53           C  
-ATOM   1410  CG  PHE B  41      51.701  20.609   1.790  1.00 25.98           C  
-ATOM   1411  CD1 PHE B  41      51.544  20.150   3.093  1.00 28.06           C  
-ATOM   1412  CD2 PHE B  41      52.101  19.710   0.805  1.00 25.20           C  
-ATOM   1413  CE1 PHE B  41      51.775  18.816   3.405  1.00 26.11           C  
-ATOM   1414  CE2 PHE B  41      52.332  18.387   1.104  1.00 24.06           C  
-ATOM   1415  CZ  PHE B  41      52.167  17.937   2.410  1.00 29.78           C  
-ATOM   1416  N   PHE B  42      52.196  25.352   1.979  1.00 23.78           N  
-ATOM   1417  CA  PHE B  42      51.815  26.696   1.579  1.00 24.99           C  
-ATOM   1418  C   PHE B  42      52.898  27.726   1.876  1.00 27.11           C  
-ATOM   1419  O   PHE B  42      52.619  28.855   2.276  1.00 29.30           O  
-ATOM   1420  CB  PHE B  42      50.512  27.086   2.281  1.00 21.58           C  
-ATOM   1421  CG  PHE B  42      49.357  26.214   1.917  1.00 23.12           C  
-ATOM   1422  CD1 PHE B  42      48.724  25.433   2.878  1.00 22.50           C  
-ATOM   1423  CD2 PHE B  42      48.917  26.138   0.599  1.00 27.81           C  
-ATOM   1424  CE1 PHE B  42      47.675  24.585   2.537  1.00 13.78           C  
-ATOM   1425  CE2 PHE B  42      47.863  25.289   0.246  1.00 27.15           C  
-ATOM   1426  CZ  PHE B  42      47.245  24.511   1.222  1.00 20.13           C  
-ATOM   1427  N   SER B  43      54.140  27.328   1.677  1.00 28.49           N  
-ATOM   1428  CA  SER B  43      55.258  28.216   1.927  1.00 30.84           C  
-ATOM   1429  C   SER B  43      55.154  29.449   1.027  1.00 29.30           C  
-ATOM   1430  O   SER B  43      55.633  30.527   1.364  1.00 31.42           O  
-ATOM   1431  CB  SER B  43      56.559  27.460   1.659  1.00 33.63           C  
-ATOM   1432  OG  SER B  43      56.500  26.804   0.401  1.00 40.21           O  
-ATOM   1433  N   SER B  44      54.498  29.284  -0.111  1.00 26.09           N  
-ATOM   1434  CA  SER B  44      54.354  30.365  -1.066  1.00 25.26           C  
-ATOM   1435  C   SER B  44      53.333  31.411  -0.670  1.00 23.99           C  
-ATOM   1436  O   SER B  44      53.006  32.277  -1.477  1.00 29.65           O  
-ATOM   1437  CB  SER B  44      53.951  29.800  -2.423  1.00 28.43           C  
-ATOM   1438  OG  SER B  44      52.600  29.374  -2.398  1.00 31.73           O  
-ATOM   1439  N   PHE B  45      52.812  31.345   0.549  1.00 19.45           N  
-ATOM   1440  CA  PHE B  45      51.806  32.317   0.953  1.00 12.19           C  
-ATOM   1441  C   PHE B  45      52.350  33.384   1.868  1.00 11.59           C  
-ATOM   1442  O   PHE B  45      51.612  34.150   2.458  1.00 18.04           O  
-ATOM   1443  CB  PHE B  45      50.610  31.629   1.603  1.00  3.36           C  
-ATOM   1444  CG  PHE B  45      49.795  30.793   0.657  1.00  5.85           C  
-ATOM   1445  CD1 PHE B  45      48.513  30.377   1.009  1.00 11.12           C  
-ATOM   1446  CD2 PHE B  45      50.315  30.379  -0.565  1.00 11.93           C  
-ATOM   1447  CE1 PHE B  45      47.756  29.555   0.160  1.00 12.41           C  
-ATOM   1448  CE2 PHE B  45      49.569  29.555  -1.424  1.00 16.73           C  
-ATOM   1449  CZ  PHE B  45      48.282  29.144  -1.053  1.00 14.86           C  
-ATOM   1450  N   GLY B  46      53.655  33.449   1.994  1.00 13.36           N  
-ATOM   1451  CA  GLY B  46      54.205  34.488   2.838  1.00 21.70           C  
-ATOM   1452  C   GLY B  46      53.986  34.285   4.321  1.00 23.34           C  
-ATOM   1453  O   GLY B  46      54.178  33.192   4.836  1.00 21.41           O  
-ATOM   1454  N   ASN B  47      53.566  35.337   5.012  1.00 27.87           N  
-ATOM   1455  CA  ASN B  47      53.378  35.237   6.443  1.00 32.34           C  
-ATOM   1456  C   ASN B  47      52.248  34.356   6.898  1.00 32.77           C  
-ATOM   1457  O   ASN B  47      51.111  34.450   6.429  1.00 37.09           O  
-ATOM   1458  CB  ASN B  47      53.180  36.601   7.091  1.00 41.36           C  
-ATOM   1459  CG  ASN B  47      53.262  36.529   8.609  1.00 45.47           C  
-ATOM   1460  OD1 ASN B  47      54.353  36.509   9.180  1.00 45.56           O  
-ATOM   1461  ND2 ASN B  47      52.109  36.461   9.266  1.00 48.81           N  
-ATOM   1462  N   LEU B  48      52.603  33.511   7.853  1.00 29.81           N  
-ATOM   1463  CA  LEU B  48      51.709  32.569   8.493  1.00 28.97           C  
-ATOM   1464  C   LEU B  48      52.310  32.519   9.891  1.00 29.19           C  
-ATOM   1465  O   LEU B  48      52.246  31.514  10.588  1.00 23.36           O  
-ATOM   1466  CB  LEU B  48      51.812  31.209   7.808  1.00 21.37           C  
-ATOM   1467  CG  LEU B  48      51.420  31.218   6.334  1.00 16.60           C  
-ATOM   1468  CD1 LEU B  48      51.686  29.858   5.726  1.00  7.55           C  
-ATOM   1469  CD2 LEU B  48      49.939  31.603   6.199  1.00 15.97           C  
-ATOM   1470  N   SER B  49      52.908  33.640  10.274  1.00 34.01           N  
-ATOM   1471  CA  SER B  49      53.578  33.763  11.555  1.00 39.19           C  
-ATOM   1472  C   SER B  49      52.690  33.608  12.776  1.00 38.30           C  
-ATOM   1473  O   SER B  49      53.156  33.151  13.818  1.00 35.50           O  
-ATOM   1474  CB  SER B  49      54.307  35.107  11.641  1.00 44.52           C  
-ATOM   1475  OG  SER B  49      55.063  35.192  12.846  1.00 49.49           O  
-ATOM   1476  N   SER B  50      51.423  33.992  12.668  1.00 36.28           N  
-ATOM   1477  CA  SER B  50      50.532  33.879  13.816  1.00 35.53           C  
-ATOM   1478  C   SER B  50      49.093  33.574  13.429  1.00 32.30           C  
-ATOM   1479  O   SER B  50      48.684  33.795  12.292  1.00 30.01           O  
-ATOM   1480  CB  SER B  50      50.577  35.169  14.637  1.00 36.95           C  
-ATOM   1481  OG  SER B  50      49.931  36.225  13.955  1.00 37.33           O  
-ATOM   1482  N   PRO B  51      48.301  33.066  14.381  1.00 29.36           N  
-ATOM   1483  CA  PRO B  51      46.911  32.749  14.068  1.00 30.92           C  
-ATOM   1484  C   PRO B  51      46.297  33.938  13.370  1.00 31.83           C  
-ATOM   1485  O   PRO B  51      45.961  33.899  12.195  1.00 27.79           O  
-ATOM   1486  CB  PRO B  51      46.283  32.535  15.441  1.00 27.94           C  
-ATOM   1487  CG  PRO B  51      47.416  32.042  16.255  1.00 32.83           C  
-ATOM   1488  CD  PRO B  51      48.552  32.932  15.822  1.00 29.56           C  
-ATOM   1489  N   THR B  52      46.180  35.013  14.127  1.00 37.10           N  
-ATOM   1490  CA  THR B  52      45.578  36.236  13.633  1.00 39.49           C  
-ATOM   1491  C   THR B  52      46.278  36.752  12.363  1.00 40.75           C  
-ATOM   1492  O   THR B  52      45.669  37.455  11.542  1.00 42.50           O  
-ATOM   1493  CB  THR B  52      45.563  37.301  14.769  1.00 37.10           C  
-ATOM   1494  OG1 THR B  52      44.673  38.359  14.418  1.00 32.05           O  
-ATOM   1495  CG2 THR B  52      46.966  37.848  15.029  1.00 38.83           C  
-ATOM   1496  N   ALA B  53      47.546  36.390  12.190  1.00 35.25           N  
-ATOM   1497  CA  ALA B  53      48.275  36.808  11.001  1.00 27.73           C  
-ATOM   1498  C   ALA B  53      47.813  35.966   9.820  1.00 28.49           C  
-ATOM   1499  O   ALA B  53      48.063  36.302   8.675  1.00 33.54           O  
-ATOM   1500  CB  ALA B  53      49.758  36.628  11.214  1.00 23.22           C  
-ATOM   1501  N   ILE B  54      47.134  34.861  10.108  1.00 32.96           N  
-ATOM   1502  CA  ILE B  54      46.639  33.945   9.074  1.00 28.42           C  
-ATOM   1503  C   ILE B  54      45.213  34.259   8.619  1.00 31.71           C  
-ATOM   1504  O   ILE B  54      44.903  34.161   7.434  1.00 32.43           O  
-ATOM   1505  CB  ILE B  54      46.675  32.468   9.570  1.00 24.12           C  
-ATOM   1506  CG1 ILE B  54      48.120  32.025   9.782  1.00 19.97           C  
-ATOM   1507  CG2 ILE B  54      45.956  31.553   8.584  1.00 15.88           C  
-ATOM   1508  CD1 ILE B  54      48.260  30.588  10.203  1.00 10.57           C  
-ATOM   1509  N   LEU B  55      44.342  34.616   9.559  1.00 33.42           N  
-ATOM   1510  CA  LEU B  55      42.968  34.924   9.203  1.00 34.21           C  
-ATOM   1511  C   LEU B  55      42.986  35.990   8.129  1.00 32.72           C  
-ATOM   1512  O   LEU B  55      42.237  35.914   7.156  1.00 35.76           O  
-ATOM   1513  CB  LEU B  55      42.174  35.441  10.414  1.00 35.33           C  
-ATOM   1514  CG  LEU B  55      41.842  34.526  11.602  1.00 33.13           C  
-ATOM   1515  CD1 LEU B  55      41.452  33.149  11.090  1.00 25.92           C  
-ATOM   1516  CD2 LEU B  55      43.030  34.438  12.534  1.00 33.85           C  
-ATOM   1517  N   GLY B  56      43.867  36.970   8.310  1.00 29.66           N  
-ATOM   1518  CA  GLY B  56      43.972  38.073   7.374  1.00 29.24           C  
-ATOM   1519  C   GLY B  56      44.590  37.788   6.019  1.00 26.81           C  
-ATOM   1520  O   GLY B  56      44.164  38.341   5.009  1.00 27.19           O  
-ATOM   1521  N   ASN B  57      45.602  36.936   5.985  1.00 26.78           N  
-ATOM   1522  CA  ASN B  57      46.254  36.614   4.725  1.00 24.49           C  
-ATOM   1523  C   ASN B  57      45.227  36.328   3.623  1.00 24.12           C  
-ATOM   1524  O   ASN B  57      44.478  35.354   3.687  1.00 28.75           O  
-ATOM   1525  CB  ASN B  57      47.198  35.427   4.920  1.00 19.01           C  
-ATOM   1526  CG  ASN B  57      48.014  35.123   3.680  1.00 14.22           C  
-ATOM   1527  OD1 ASN B  57      49.006  34.408   3.740  1.00 15.14           O  
-ATOM   1528  ND2 ASN B  57      47.591  35.653   2.549  1.00 17.86           N  
-ATOM   1529  N   PRO B  58      45.190  37.187   2.595  1.00 19.76           N  
-ATOM   1530  CA  PRO B  58      44.313  37.156   1.427  1.00 20.43           C  
-ATOM   1531  C   PRO B  58      44.576  36.025   0.463  1.00 23.11           C  
-ATOM   1532  O   PRO B  58      43.760  35.739  -0.411  1.00 24.94           O  
-ATOM   1533  CB  PRO B  58      44.582  38.501   0.780  1.00 27.39           C  
-ATOM   1534  CG  PRO B  58      46.029  38.670   1.023  1.00 21.41           C  
-ATOM   1535  CD  PRO B  58      46.126  38.317   2.487  1.00 22.20           C  
-ATOM   1536  N   MET B  59      45.743  35.412   0.589  1.00 26.35           N  
-ATOM   1537  CA  MET B  59      46.116  34.285  -0.262  1.00 25.18           C  
-ATOM   1538  C   MET B  59      45.439  33.049   0.312  1.00 24.56           C  
-ATOM   1539  O   MET B  59      44.999  32.149  -0.417  1.00 18.18           O  
-ATOM   1540  CB  MET B  59      47.631  34.112  -0.249  1.00 30.80           C  
-ATOM   1541  CG  MET B  59      48.351  34.948  -1.285  1.00 34.51           C  
-ATOM   1542  SD  MET B  59      48.440  34.082  -2.824  1.00 42.31           S  
-ATOM   1543  CE  MET B  59      46.630  33.872  -3.242  1.00 45.00           C  
-ATOM   1544  N   VAL B  60      45.378  33.027   1.641  1.00 23.99           N  
-ATOM   1545  CA  VAL B  60      44.732  31.969   2.398  1.00 17.51           C  
-ATOM   1546  C   VAL B  60      43.251  32.091   2.064  1.00 16.03           C  
-ATOM   1547  O   VAL B  60      42.613  31.141   1.627  1.00 15.28           O  
-ATOM   1548  CB  VAL B  60      44.931  32.194   3.912  1.00 16.39           C  
-ATOM   1549  CG1 VAL B  60      44.097  31.218   4.703  1.00 20.91           C  
-ATOM   1550  CG2 VAL B  60      46.399  32.039   4.269  1.00 16.10           C  
-ATOM   1551  N   ARG B  61      42.720  33.292   2.252  1.00 15.71           N  
-ATOM   1552  CA  ARG B  61      41.318  33.570   1.983  1.00 23.77           C  
-ATOM   1553  C   ARG B  61      40.936  33.247   0.538  1.00 23.47           C  
-ATOM   1554  O   ARG B  61      39.885  32.666   0.269  1.00 27.68           O  
-ATOM   1555  CB  ARG B  61      41.019  35.038   2.310  1.00 26.05           C  
-ATOM   1556  CG  ARG B  61      41.264  35.402   3.780  1.00 33.45           C  
-ATOM   1557  CD  ARG B  61      40.872  36.842   4.082  1.00 37.40           C  
-ATOM   1558  NE  ARG B  61      39.494  37.093   3.685  1.00 47.19           N  
-ATOM   1559  CZ  ARG B  61      38.431  36.572   4.293  1.00 57.60           C  
-ATOM   1560  NH1 ARG B  61      38.587  35.770   5.345  1.00 59.40           N  
-ATOM   1561  NH2 ARG B  61      37.208  36.828   3.830  1.00 61.54           N  
-ATOM   1562  N   ALA B  62      41.794  33.623  -0.393  1.00 20.51           N  
-ATOM   1563  CA  ALA B  62      41.546  33.350  -1.797  1.00 20.23           C  
-ATOM   1564  C   ALA B  62      41.464  31.846  -2.065  1.00 18.45           C  
-ATOM   1565  O   ALA B  62      40.461  31.352  -2.576  1.00 19.19           O  
-ATOM   1566  CB  ALA B  62      42.649  33.980  -2.643  1.00 22.68           C  
-ATOM   1567  N   HIS B  63      42.530  31.128  -1.715  1.00 19.14           N  
-ATOM   1568  CA  HIS B  63      42.618  29.681  -1.903  1.00 16.08           C  
-ATOM   1569  C   HIS B  63      41.487  28.978  -1.157  1.00 19.71           C  
-ATOM   1570  O   HIS B  63      40.945  27.971  -1.627  1.00 17.52           O  
-ATOM   1571  CB  HIS B  63      43.967  29.187  -1.381  1.00 19.45           C  
-ATOM   1572  CG  HIS B  63      44.216  27.732  -1.620  1.00 17.34           C  
-ATOM   1573  ND1 HIS B  63      44.508  27.222  -2.866  1.00 19.42           N  
-ATOM   1574  CD2 HIS B  63      44.167  26.672  -0.781  1.00 16.52           C  
-ATOM   1575  CE1 HIS B  63      44.618  25.907  -2.786  1.00 21.43           C  
-ATOM   1576  NE2 HIS B  63      44.415  25.547  -1.531  1.00 20.18           N  
-ATOM   1577  N   GLY B  64      41.146  29.516   0.016  1.00 21.84           N  
-ATOM   1578  CA  GLY B  64      40.074  28.959   0.810  1.00 15.04           C  
-ATOM   1579  C   GLY B  64      38.807  28.838  -0.016  1.00 21.13           C  
-ATOM   1580  O   GLY B  64      38.203  27.765  -0.078  1.00 19.17           O  
-ATOM   1581  N   LYS B  65      38.399  29.926  -0.666  1.00 22.74           N  
-ATOM   1582  CA  LYS B  65      37.190  29.892  -1.478  1.00 26.86           C  
-ATOM   1583  C   LYS B  65      37.385  29.022  -2.720  1.00 26.02           C  
-ATOM   1584  O   LYS B  65      36.434  28.410  -3.220  1.00 23.87           O  
-ATOM   1585  CB  LYS B  65      36.771  31.301  -1.905  1.00 31.42           C  
-ATOM   1586  CG  LYS B  65      37.631  31.894  -3.013  1.00 44.18           C  
-ATOM   1587  CD  LYS B  65      36.850  32.899  -3.865  1.00 49.12           C  
-ATOM   1588  CE  LYS B  65      35.791  32.206  -4.718  1.00 50.53           C  
-ATOM   1589  NZ  LYS B  65      34.982  33.187  -5.497  1.00 51.28           N  
-ATOM   1590  N   LYS B  66      38.610  28.966  -3.228  1.00 24.50           N  
-ATOM   1591  CA  LYS B  66      38.859  28.147  -4.407  1.00 28.66           C  
-ATOM   1592  C   LYS B  66      38.622  26.677  -4.032  1.00 26.93           C  
-ATOM   1593  O   LYS B  66      37.950  25.935  -4.756  1.00 26.53           O  
-ATOM   1594  CB  LYS B  66      40.289  28.350  -4.914  1.00 33.08           C  
-ATOM   1595  CG  LYS B  66      40.437  28.155  -6.419  1.00 37.15           C  
-ATOM   1596  CD  LYS B  66      41.894  27.945  -6.832  1.00 44.81           C  
-ATOM   1597  CE  LYS B  66      42.774  29.172  -6.597  1.00 44.53           C  
-ATOM   1598  NZ  LYS B  66      42.577  30.220  -7.631  1.00 44.13           N  
-ATOM   1599  N   VAL B  67      39.163  26.264  -2.890  1.00 22.55           N  
-ATOM   1600  CA  VAL B  67      38.988  24.891  -2.421  1.00 16.45           C  
-ATOM   1601  C   VAL B  67      37.514  24.560  -2.239  1.00 15.70           C  
-ATOM   1602  O   VAL B  67      37.058  23.495  -2.640  1.00 12.21           O  
-ATOM   1603  CB  VAL B  67      39.711  24.652  -1.058  1.00 15.04           C  
-ATOM   1604  CG1 VAL B  67      39.047  23.513  -0.288  1.00  6.11           C  
-ATOM   1605  CG2 VAL B  67      41.169  24.314  -1.298  1.00 21.83           C  
-ATOM   1606  N   LEU B  68      36.770  25.480  -1.637  1.00 18.99           N  
-ATOM   1607  CA  LEU B  68      35.351  25.253  -1.361  1.00 19.06           C  
-ATOM   1608  C   LEU B  68      34.451  25.197  -2.602  1.00 20.89           C  
-ATOM   1609  O   LEU B  68      33.491  24.426  -2.650  1.00 16.88           O  
-ATOM   1610  CB  LEU B  68      34.847  26.320  -0.384  1.00 17.09           C  
-ATOM   1611  CG  LEU B  68      33.461  26.113   0.216  1.00 13.91           C  
-ATOM   1612  CD1 LEU B  68      33.302  24.681   0.639  1.00 13.07           C  
-ATOM   1613  CD2 LEU B  68      33.281  27.043   1.394  1.00 12.84           C  
-ATOM   1614  N   THR B  69      34.755  26.004  -3.609  1.00 22.74           N  
-ATOM   1615  CA  THR B  69      33.945  25.989  -4.812  1.00 26.61           C  
-ATOM   1616  C   THR B  69      34.157  24.686  -5.594  1.00 29.09           C  
-ATOM   1617  O   THR B  69      33.367  24.340  -6.484  1.00 29.29           O  
-ATOM   1618  CB  THR B  69      34.254  27.211  -5.708  1.00 26.13           C  
-ATOM   1619  OG1 THR B  69      35.662  27.415  -5.755  1.00 28.87           O  
-ATOM   1620  CG2 THR B  69      33.605  28.474  -5.155  1.00 28.53           C  
-ATOM   1621  N   SER B  70      35.221  23.958  -5.268  1.00 28.78           N  
-ATOM   1622  CA  SER B  70      35.480  22.693  -5.952  1.00 29.88           C  
-ATOM   1623  C   SER B  70      34.364  21.745  -5.539  1.00 31.50           C  
-ATOM   1624  O   SER B  70      33.909  20.912  -6.324  1.00 33.32           O  
-ATOM   1625  CB  SER B  70      36.827  22.097  -5.539  1.00 29.12           C  
-ATOM   1626  OG  SER B  70      36.755  21.587  -4.222  1.00 26.67           O  
-ATOM   1627  N   PHE B  71      33.925  21.867  -4.290  1.00 33.10           N  
-ATOM   1628  CA  PHE B  71      32.837  21.030  -3.810  1.00 29.43           C  
-ATOM   1629  C   PHE B  71      31.617  21.333  -4.657  1.00 31.13           C  
-ATOM   1630  O   PHE B  71      30.699  20.527  -4.747  1.00 33.97           O  
-ATOM   1631  CB  PHE B  71      32.545  21.301  -2.336  1.00 23.30           C  
-ATOM   1632  CG  PHE B  71      33.515  20.646  -1.404  1.00 18.19           C  
-ATOM   1633  CD1 PHE B  71      34.810  21.128  -1.270  1.00 19.90           C  
-ATOM   1634  CD2 PHE B  71      33.151  19.512  -0.696  1.00 21.64           C  
-ATOM   1635  CE1 PHE B  71      35.733  20.482  -0.440  1.00 20.22           C  
-ATOM   1636  CE2 PHE B  71      34.066  18.859   0.131  1.00 23.63           C  
-ATOM   1637  CZ  PHE B  71      35.359  19.347   0.258  1.00 20.28           C  
-ATOM   1638  N   GLY B  72      31.614  22.504  -5.282  1.00 34.45           N  
-ATOM   1639  CA  GLY B  72      30.514  22.868  -6.156  1.00 36.05           C  
-ATOM   1640  C   GLY B  72      30.392  21.858  -7.290  1.00 39.23           C  
-ATOM   1641  O   GLY B  72      29.278  21.555  -7.724  1.00 41.10           O  
-ATOM   1642  N   ASP B  73      31.525  21.334  -7.775  1.00 37.17           N  
-ATOM   1643  CA  ASP B  73      31.507  20.340  -8.852  1.00 33.61           C  
-ATOM   1644  C   ASP B  73      31.112  18.991  -8.274  1.00 33.17           C  
-ATOM   1645  O   ASP B  73      30.637  18.106  -8.989  1.00 33.52           O  
-ATOM   1646  CB  ASP B  73      32.880  20.215  -9.521  1.00 33.36           C  
-ATOM   1647  CG  ASP B  73      33.465  21.548  -9.889  1.00 37.19           C  
-ATOM   1648  OD1 ASP B  73      32.721  22.378 -10.463  1.00 44.37           O  
-ATOM   1649  OD2 ASP B  73      34.670  21.759  -9.610  1.00 34.98           O  
-ATOM   1650  N   ALA B  74      31.330  18.826  -6.975  1.00 32.01           N  
-ATOM   1651  CA  ALA B  74      30.964  17.582  -6.329  1.00 31.04           C  
-ATOM   1652  C   ALA B  74      29.447  17.538  -6.329  1.00 28.66           C  
-ATOM   1653  O   ALA B  74      28.844  16.620  -6.887  1.00 30.11           O  
-ATOM   1654  CB  ALA B  74      31.501  17.539  -4.906  1.00 28.58           C  
-ATOM   1655  N   VAL B  75      28.841  18.552  -5.721  1.00 29.98           N  
-ATOM   1656  CA  VAL B  75      27.389  18.664  -5.640  1.00 33.64           C  
-ATOM   1657  C   VAL B  75      26.768  18.588  -7.034  1.00 38.40           C  
-ATOM   1658  O   VAL B  75      25.613  18.183  -7.196  1.00 40.30           O  
-ATOM   1659  CB  VAL B  75      26.988  19.988  -4.990  1.00 29.19           C  
-ATOM   1660  CG1 VAL B  75      25.478  20.087  -4.901  1.00 34.86           C  
-ATOM   1661  CG2 VAL B  75      27.605  20.084  -3.610  1.00 28.54           C  
-ATOM   1662  N   LYS B  76      27.564  18.973  -8.028  1.00 42.69           N  
-ATOM   1663  CA  LYS B  76      27.196  18.969  -9.448  1.00 46.10           C  
-ATOM   1664  C   LYS B  76      26.588  17.637  -9.936  1.00 49.76           C  
-ATOM   1665  O   LYS B  76      25.548  17.620 -10.605  1.00 49.46           O  
-ATOM   1666  CB  LYS B  76      28.453  19.290 -10.272  1.00 46.11           C  
-ATOM   1667  CG  LYS B  76      28.247  20.088 -11.551  1.00 47.11           C  
-ATOM   1668  CD  LYS B  76      28.060  21.569 -11.272  1.00 45.88           C  
-ATOM   1669  CE  LYS B  76      26.636  21.894 -10.837  1.00 51.12           C  
-ATOM   1670  NZ  LYS B  76      26.199  21.230  -9.576  1.00 48.79           N  
-ATOM   1671  N   ASN B  77      27.263  16.536  -9.601  1.00 50.82           N  
-ATOM   1672  CA  ASN B  77      26.858  15.182  -9.978  1.00 50.65           C  
-ATOM   1673  C   ASN B  77      27.416  14.228  -8.929  1.00 47.27           C  
-ATOM   1674  O   ASN B  77      28.425  13.556  -9.140  1.00 46.85           O  
-ATOM   1675  CB  ASN B  77      27.416  14.831 -11.364  1.00 57.01           C  
-ATOM   1676  CG  ASN B  77      28.865  15.305 -11.555  1.00 64.32           C  
-ATOM   1677  OD1 ASN B  77      29.770  14.911 -10.808  1.00 70.02           O  
-ATOM   1678  ND2 ASN B  77      29.084  16.153 -12.559  1.00 62.35           N  
-ATOM   1679  N   LEU B  78      26.749  14.182  -7.789  1.00 44.67           N  
-ATOM   1680  CA  LEU B  78      27.171  13.337  -6.685  1.00 44.75           C  
-ATOM   1681  C   LEU B  78      27.463  11.882  -7.085  1.00 47.68           C  
-ATOM   1682  O   LEU B  78      27.906  11.083  -6.251  1.00 47.85           O  
-ATOM   1683  CB  LEU B  78      26.112  13.386  -5.575  1.00 41.57           C  
-ATOM   1684  CG  LEU B  78      25.804  14.795  -5.045  1.00 41.66           C  
-ATOM   1685  CD1 LEU B  78      24.604  14.752  -4.121  1.00 39.52           C  
-ATOM   1686  CD2 LEU B  78      27.020  15.354  -4.317  1.00 42.73           C  
-ATOM   1687  N   ASP B  79      27.221  11.539  -8.350  1.00 46.44           N  
-ATOM   1688  CA  ASP B  79      27.474  10.182  -8.839  1.00 47.24           C  
-ATOM   1689  C   ASP B  79      28.575  10.209  -9.883  1.00 47.97           C  
-ATOM   1690  O   ASP B  79      28.500   9.499 -10.883  1.00 52.30           O  
-ATOM   1691  CB  ASP B  79      26.217   9.593  -9.482  1.00 44.27           C  
-ATOM   1692  CG  ASP B  79      25.098   9.400  -8.497  1.00 47.01           C  
-ATOM   1693  OD1 ASP B  79      25.304   8.656  -7.509  1.00 51.84           O  
-ATOM   1694  OD2 ASP B  79      24.014   9.989  -8.711  1.00 44.02           O  
-ATOM   1695  N   ASN B  80      29.612  11.002  -9.653  1.00 46.69           N  
-ATOM   1696  CA  ASN B  80      30.660  11.094 -10.647  1.00 45.10           C  
-ATOM   1697  C   ASN B  80      31.914  11.741 -10.089  1.00 45.24           C  
-ATOM   1698  O   ASN B  80      32.801  12.142 -10.839  1.00 45.61           O  
-ATOM   1699  CB  ASN B  80      30.119  11.924 -11.798  1.00 51.56           C  
-ATOM   1700  CG  ASN B  80      30.538  11.399 -13.138  1.00 59.59           C  
-ATOM   1701  OD1 ASN B  80      30.402  10.204 -13.414  1.00 59.65           O  
-ATOM   1702  ND2 ASN B  80      31.042  12.292 -13.997  1.00 59.72           N  
-ATOM   1703  N   ILE B  81      31.979  11.835  -8.766  1.00 44.80           N  
-ATOM   1704  CA  ILE B  81      33.100  12.463  -8.075  1.00 44.04           C  
-ATOM   1705  C   ILE B  81      34.467  11.925  -8.463  1.00 46.57           C  
-ATOM   1706  O   ILE B  81      35.392  12.704  -8.720  1.00 48.50           O  
-ATOM   1707  CB  ILE B  81      32.928  12.339  -6.561  1.00 41.65           C  
-ATOM   1708  CG1 ILE B  81      31.545  12.865  -6.183  1.00 41.53           C  
-ATOM   1709  CG2 ILE B  81      34.012  13.128  -5.841  1.00 38.41           C  
-ATOM   1710  CD1 ILE B  81      31.160  12.620  -4.767  1.00 45.34           C  
-ATOM   1711  N   LYS B  82      34.599  10.603  -8.504  1.00 46.00           N  
-ATOM   1712  CA  LYS B  82      35.871   9.991  -8.863  1.00 47.29           C  
-ATOM   1713  C   LYS B  82      36.460  10.570 -10.149  1.00 48.87           C  
-ATOM   1714  O   LYS B  82      37.591  11.079 -10.152  1.00 48.92           O  
-ATOM   1715  CB  LYS B  82      35.709   8.472  -9.006  1.00 49.86           C  
-ATOM   1716  CG  LYS B  82      36.798   7.792  -9.846  1.00 55.45           C  
-ATOM   1717  CD  LYS B  82      36.416   7.748 -11.345  1.00 61.58           C  
-ATOM   1718  CE  LYS B  82      37.607   7.464 -12.276  1.00 61.08           C  
-ATOM   1719  NZ  LYS B  82      38.553   8.618 -12.395  1.00 63.80           N  
-ATOM   1720  N   ASN B  83      35.687  10.496 -11.232  1.00 47.55           N  
-ATOM   1721  CA  ASN B  83      36.130  10.976 -12.542  1.00 48.90           C  
-ATOM   1722  C   ASN B  83      36.358  12.483 -12.600  1.00 46.43           C  
-ATOM   1723  O   ASN B  83      37.202  12.961 -13.358  1.00 48.28           O  
-ATOM   1724  CB  ASN B  83      35.111  10.589 -13.615  1.00 51.89           C  
-ATOM   1725  CG  ASN B  83      34.581   9.187 -13.431  1.00 55.40           C  
-ATOM   1726  OD1 ASN B  83      33.826   8.916 -12.495  1.00 58.82           O  
-ATOM   1727  ND2 ASN B  83      34.979   8.279 -14.320  1.00 59.06           N  
-ATOM   1728  N   THR B  84      35.604  13.227 -11.800  1.00 40.73           N  
-ATOM   1729  CA  THR B  84      35.722  14.671 -11.792  1.00 38.21           C  
-ATOM   1730  C   THR B  84      36.873  15.186 -10.934  1.00 37.12           C  
-ATOM   1731  O   THR B  84      37.178  16.372 -10.960  1.00 39.02           O  
-ATOM   1732  CB  THR B  84      34.421  15.321 -11.303  1.00 36.00           C  
-ATOM   1733  OG1 THR B  84      34.257  15.046  -9.914  1.00 37.69           O  
-ATOM   1734  CG2 THR B  84      33.221  14.764 -12.063  1.00 33.44           C  
-ATOM   1735  N   PHE B  85      37.514  14.306 -10.176  1.00 39.04           N  
-ATOM   1736  CA  PHE B  85      38.629  14.727  -9.323  1.00 44.13           C  
-ATOM   1737  C   PHE B  85      39.926  13.989  -9.586  1.00 46.21           C  
-ATOM   1738  O   PHE B  85      40.902  14.182  -8.857  1.00 46.91           O  
-ATOM   1739  CB  PHE B  85      38.295  14.554  -7.843  1.00 43.88           C  
-ATOM   1740  CG  PHE B  85      37.399  15.614  -7.296  1.00 42.63           C  
-ATOM   1741  CD1 PHE B  85      36.032  15.570  -7.529  1.00 44.83           C  
-ATOM   1742  CD2 PHE B  85      37.923  16.656  -6.538  1.00 41.42           C  
-ATOM   1743  CE1 PHE B  85      35.187  16.549  -7.014  1.00 46.64           C  
-ATOM   1744  CE2 PHE B  85      37.092  17.643  -6.018  1.00 45.02           C  
-ATOM   1745  CZ  PHE B  85      35.717  17.588  -6.256  1.00 47.06           C  
-ATOM   1746  N   ALA B  86      39.933  13.135 -10.605  1.00 46.88           N  
-ATOM   1747  CA  ALA B  86      41.125  12.373 -10.949  1.00 43.88           C  
-ATOM   1748  C   ALA B  86      42.316  13.318 -11.125  1.00 41.00           C  
-ATOM   1749  O   ALA B  86      43.389  13.085 -10.578  1.00 38.05           O  
-ATOM   1750  CB  ALA B  86      40.878  11.573 -12.228  1.00 50.01           C  
-ATOM   1751  N   GLN B  87      42.118  14.382 -11.892  1.00 41.81           N  
-ATOM   1752  CA  GLN B  87      43.168  15.373 -12.129  1.00 46.86           C  
-ATOM   1753  C   GLN B  87      43.537  16.075 -10.817  1.00 45.98           C  
-ATOM   1754  O   GLN B  87      44.681  16.509 -10.625  1.00 45.68           O  
-ATOM   1755  CB  GLN B  87      42.705  16.419 -13.166  1.00 51.40           C  
-ATOM   1756  CG  GLN B  87      41.189  16.447 -13.449  1.00 57.79           C  
-ATOM   1757  CD  GLN B  87      40.320  16.222 -12.194  1.00 61.76           C  
-ATOM   1758  OE1 GLN B  87      40.470  16.910 -11.181  1.00 60.26           O  
-ATOM   1759  NE2 GLN B  87      39.406  15.253 -12.269  1.00 61.27           N  
-ATOM   1760  N   LEU B  88      42.553  16.191  -9.925  1.00 44.16           N  
-ATOM   1761  CA  LEU B  88      42.767  16.819  -8.627  1.00 43.59           C  
-ATOM   1762  C   LEU B  88      43.558  15.870  -7.731  1.00 42.65           C  
-ATOM   1763  O   LEU B  88      44.397  16.300  -6.941  1.00 42.68           O  
-ATOM   1764  CB  LEU B  88      41.429  17.164  -7.953  1.00 40.53           C  
-ATOM   1765  CG  LEU B  88      41.011  18.642  -7.908  1.00 36.52           C  
-ATOM   1766  CD1 LEU B  88      42.235  19.515  -7.627  1.00 33.21           C  
-ATOM   1767  CD2 LEU B  88      40.385  19.043  -9.226  1.00 40.91           C  
-ATOM   1768  N   SER B  89      43.288  14.574  -7.855  1.00 44.23           N  
-ATOM   1769  CA  SER B  89      44.002  13.579  -7.054  1.00 44.54           C  
-ATOM   1770  C   SER B  89      45.440  13.478  -7.551  1.00 43.24           C  
-ATOM   1771  O   SER B  89      46.366  13.329  -6.765  1.00 41.15           O  
-ATOM   1772  CB  SER B  89      43.326  12.204  -7.150  1.00 40.86           C  
-ATOM   1773  OG  SER B  89      43.620  11.563  -8.373  1.00 45.84           O  
-ATOM   1774  N   GLU B  90      45.613  13.586  -8.864  1.00 47.58           N  
-ATOM   1775  CA  GLU B  90      46.930  13.499  -9.489  1.00 47.95           C  
-ATOM   1776  C   GLU B  90      47.974  14.463  -8.916  1.00 44.35           C  
-ATOM   1777  O   GLU B  90      49.095  14.048  -8.605  1.00 41.68           O  
-ATOM   1778  CB  GLU B  90      46.806  13.703 -11.005  1.00 53.77           C  
-ATOM   1779  CG  GLU B  90      48.044  13.266 -11.777  1.00 57.46           C  
-ATOM   1780  CD  GLU B  90      47.708  12.543 -13.067  1.00 60.70           C  
-ATOM   1781  OE1 GLU B  90      48.580  11.790 -13.550  1.00 66.01           O  
-ATOM   1782  OE2 GLU B  90      46.586  12.724 -13.600  1.00 59.81           O  
-ATOM   1783  N   LEU B  91      47.631  15.740  -8.773  1.00 42.42           N  
-ATOM   1784  CA  LEU B  91      48.605  16.672  -8.226  1.00 43.75           C  
-ATOM   1785  C   LEU B  91      48.762  16.481  -6.715  1.00 43.15           C  
-ATOM   1786  O   LEU B  91      49.882  16.478  -6.197  1.00 44.64           O  
-ATOM   1787  CB  LEU B  91      48.234  18.123  -8.569  1.00 44.69           C  
-ATOM   1788  CG  LEU B  91      46.914  18.740  -8.116  1.00 50.21           C  
-ATOM   1789  CD1 LEU B  91      46.983  19.078  -6.637  1.00 50.14           C  
-ATOM   1790  CD2 LEU B  91      46.654  20.012  -8.922  1.00 53.45           C  
-ATOM   1791  N   HIS B  92      47.654  16.290  -6.006  1.00 38.76           N  
-ATOM   1792  CA  HIS B  92      47.742  16.100  -4.562  1.00 36.34           C  
-ATOM   1793  C   HIS B  92      48.516  14.827  -4.193  1.00 35.65           C  
-ATOM   1794  O   HIS B  92      49.119  14.740  -3.126  1.00 32.73           O  
-ATOM   1795  CB  HIS B  92      46.342  16.044  -3.930  1.00 34.31           C  
-ATOM   1796  CG  HIS B  92      45.693  17.386  -3.755  1.00 33.77           C  
-ATOM   1797  ND1 HIS B  92      44.728  17.868  -4.612  1.00 34.00           N  
-ATOM   1798  CD2 HIS B  92      45.891  18.356  -2.831  1.00 33.25           C  
-ATOM   1799  CE1 HIS B  92      44.361  19.077  -4.229  1.00 31.90           C  
-ATOM   1800  NE2 HIS B  92      45.052  19.399  -3.151  1.00 32.74           N  
-ATOM   1801  N   CYS B  93      48.520  13.855  -5.098  1.00 37.37           N  
-ATOM   1802  CA  CYS B  93      49.168  12.562  -4.864  1.00 36.12           C  
-ATOM   1803  C   CYS B  93      50.573  12.413  -5.457  1.00 36.69           C  
-ATOM   1804  O   CYS B  93      51.549  12.180  -4.740  1.00 30.86           O  
-ATOM   1805  CB  CYS B  93      48.252  11.454  -5.412  1.00 33.62           C  
-ATOM   1806  SG  CYS B  93      48.820   9.770  -5.172  1.00 41.94           S  
-ATOM   1807  N   ASP B  94      50.651  12.544  -6.777  1.00 40.17           N  
-ATOM   1808  CA  ASP B  94      51.894  12.406  -7.510  1.00 39.88           C  
-ATOM   1809  C   ASP B  94      52.742  13.655  -7.413  1.00 37.27           C  
-ATOM   1810  O   ASP B  94      53.964  13.584  -7.433  1.00 36.75           O  
-ATOM   1811  CB  ASP B  94      51.593  12.115  -8.976  1.00 45.30           C  
-ATOM   1812  CG  ASP B  94      50.544  11.029  -9.152  1.00 51.06           C  
-ATOM   1813  OD1 ASP B  94      50.154  10.765 -10.312  1.00 55.00           O  
-ATOM   1814  OD2 ASP B  94      50.109  10.442  -8.136  1.00 51.61           O  
-ATOM   1815  N   LYS B  95      52.102  14.808  -7.309  1.00 37.12           N  
-ATOM   1816  CA  LYS B  95      52.866  16.043  -7.220  1.00 39.87           C  
-ATOM   1817  C   LYS B  95      53.203  16.466  -5.780  1.00 37.41           C  
-ATOM   1818  O   LYS B  95      54.332  16.263  -5.332  1.00 34.42           O  
-ATOM   1819  CB  LYS B  95      52.132  17.162  -7.971  1.00 44.43           C  
-ATOM   1820  CG  LYS B  95      52.802  18.543  -7.910  1.00 53.60           C  
-ATOM   1821  CD  LYS B  95      54.260  18.539  -8.389  1.00 55.89           C  
-ATOM   1822  CE  LYS B  95      55.238  18.598  -7.207  1.00 56.95           C  
-ATOM   1823  NZ  LYS B  95      55.049  19.832  -6.367  1.00 52.57           N  
-ATOM   1824  N   LEU B  96      52.241  17.037  -5.055  1.00 36.95           N  
-ATOM   1825  CA  LEU B  96      52.491  17.486  -3.681  1.00 33.77           C  
-ATOM   1826  C   LEU B  96      52.801  16.358  -2.700  1.00 32.00           C  
-ATOM   1827  O   LEU B  96      53.561  16.541  -1.744  1.00 25.59           O  
-ATOM   1828  CB  LEU B  96      51.298  18.283  -3.143  1.00 32.78           C  
-ATOM   1829  CG  LEU B  96      50.881  19.572  -3.850  1.00 36.11           C  
-ATOM   1830  CD1 LEU B  96      52.127  20.326  -4.309  1.00 36.70           C  
-ATOM   1831  CD2 LEU B  96      49.977  19.239  -5.029  1.00 36.57           C  
-ATOM   1832  N   HIS B  97      52.207  15.193  -2.947  1.00 36.50           N  
-ATOM   1833  CA  HIS B  97      52.376  14.021  -2.082  1.00 37.13           C  
-ATOM   1834  C   HIS B  97      51.760  14.243  -0.697  1.00 33.02           C  
-ATOM   1835  O   HIS B  97      52.340  13.891   0.325  1.00 33.25           O  
-ATOM   1836  CB  HIS B  97      53.858  13.660  -1.930  1.00 42.65           C  
-ATOM   1837  CG  HIS B  97      54.449  13.007  -3.140  1.00 49.51           C  
-ATOM   1838  ND1 HIS B  97      54.993  13.727  -4.184  1.00 52.06           N  
-ATOM   1839  CD2 HIS B  97      54.551  11.702  -3.486  1.00 47.63           C  
-ATOM   1840  CE1 HIS B  97      55.404  12.892  -5.121  1.00 52.65           C  
-ATOM   1841  NE2 HIS B  97      55.147  11.658  -4.722  1.00 54.47           N  
-ATOM   1842  N   VAL B  98      50.582  14.844  -0.671  1.00 27.90           N  
-ATOM   1843  CA  VAL B  98      49.905  15.098   0.581  1.00 22.27           C  
-ATOM   1844  C   VAL B  98      49.493  13.758   1.122  1.00 21.66           C  
-ATOM   1845  O   VAL B  98      49.005  12.913   0.377  1.00 18.08           O  
-ATOM   1846  CB  VAL B  98      48.640  15.942   0.370  1.00 21.04           C  
-ATOM   1847  CG1 VAL B  98      47.865  16.075   1.688  1.00  6.33           C  
-ATOM   1848  CG2 VAL B  98      49.033  17.303  -0.202  1.00 18.24           C  
-ATOM   1849  N   ASP B  99      49.697  13.542   2.413  1.00 23.13           N  
-ATOM   1850  CA  ASP B  99      49.284  12.277   2.974  1.00 22.69           C  
-ATOM   1851  C   ASP B  99      47.762  12.317   3.096  1.00 23.38           C  
-ATOM   1852  O   ASP B  99      47.196  13.284   3.605  1.00 23.45           O  
-ATOM   1853  CB  ASP B  99      49.906  12.061   4.341  1.00 25.34           C  
-ATOM   1854  CG  ASP B  99      49.817  10.617   4.780  1.00 33.39           C  
-ATOM   1855  OD1 ASP B  99      50.780   9.858   4.495  1.00 29.55           O  
-ATOM   1856  OD2 ASP B  99      48.779  10.242   5.384  1.00 33.61           O  
-ATOM   1857  N   PRO B 100      47.077  11.283   2.606  1.00 20.81           N  
-ATOM   1858  CA  PRO B 100      45.619  11.239   2.681  1.00 23.44           C  
-ATOM   1859  C   PRO B 100      45.051  11.665   4.027  1.00 25.12           C  
-ATOM   1860  O   PRO B 100      43.955  12.221   4.088  1.00 26.77           O  
-ATOM   1861  CB  PRO B 100      45.313   9.791   2.342  1.00 24.49           C  
-ATOM   1862  CG  PRO B 100      46.313   9.517   1.271  1.00 24.24           C  
-ATOM   1863  CD  PRO B 100      47.590  10.146   1.828  1.00 23.46           C  
-ATOM   1864  N   GLU B 101      45.799  11.416   5.101  1.00 26.36           N  
-ATOM   1865  CA  GLU B 101      45.367  11.778   6.458  1.00 25.52           C  
-ATOM   1866  C   GLU B 101      44.950  13.249   6.602  1.00 22.97           C  
-ATOM   1867  O   GLU B 101      44.089  13.579   7.414  1.00 26.67           O  
-ATOM   1868  CB  GLU B 101      46.477  11.461   7.460  1.00 29.34           C  
-ATOM   1869  CG  GLU B 101      46.127  10.407   8.506  1.00 40.15           C  
-ATOM   1870  CD  GLU B 101      44.989  10.839   9.431  1.00 48.29           C  
-ATOM   1871  OE1 GLU B 101      43.826  10.870   8.975  1.00 51.33           O  
-ATOM   1872  OE2 GLU B 101      45.255  11.153  10.615  1.00 51.63           O  
-ATOM   1873  N   ASN B 102      45.549  14.139   5.818  1.00 22.04           N  
-ATOM   1874  CA  ASN B 102      45.196  15.553   5.898  1.00 12.96           C  
-ATOM   1875  C   ASN B 102      43.878  15.875   5.197  1.00 15.18           C  
-ATOM   1876  O   ASN B 102      43.225  16.845   5.557  1.00 15.33           O  
-ATOM   1877  CB  ASN B 102      46.305  16.406   5.310  1.00 12.41           C  
-ATOM   1878  CG  ASN B 102      47.654  16.099   5.919  1.00 12.85           C  
-ATOM   1879  OD1 ASN B 102      48.434  15.319   5.383  1.00 11.40           O  
-ATOM   1880  ND2 ASN B 102      47.930  16.705   7.052  1.00 18.94           N  
-ATOM   1881  N   PHE B 103      43.492  15.075   4.194  1.00 18.92           N  
-ATOM   1882  CA  PHE B 103      42.224  15.282   3.481  1.00 15.81           C  
-ATOM   1883  C   PHE B 103      41.140  15.088   4.529  1.00 16.65           C  
-ATOM   1884  O   PHE B 103      40.185  15.854   4.626  1.00 21.34           O  
-ATOM   1885  CB  PHE B 103      42.003  14.247   2.371  1.00 14.30           C  
-ATOM   1886  CG  PHE B 103      43.072  14.231   1.307  1.00 21.36           C  
-ATOM   1887  CD1 PHE B 103      43.772  15.388   0.973  1.00 27.45           C  
-ATOM   1888  CD2 PHE B 103      43.340  13.058   0.599  1.00 18.47           C  
-ATOM   1889  CE1 PHE B 103      44.723  15.375  -0.055  1.00 31.29           C  
-ATOM   1890  CE2 PHE B 103      44.276  13.031  -0.420  1.00 20.63           C  
-ATOM   1891  CZ  PHE B 103      44.974  14.192  -0.753  1.00 27.73           C  
-ATOM   1892  N   ARG B 104      41.301  14.043   5.320  1.00 13.68           N  
-ATOM   1893  CA  ARG B 104      40.368  13.760   6.379  1.00 11.11           C  
-ATOM   1894  C   ARG B 104      40.327  14.992   7.292  1.00 10.93           C  
-ATOM   1895  O   ARG B 104      39.255  15.530   7.594  1.00 13.62           O  
-ATOM   1896  CB  ARG B 104      40.845  12.511   7.130  1.00 15.25           C  
-ATOM   1897  CG  ARG B 104      40.062  12.143   8.394  1.00 28.17           C  
-ATOM   1898  CD  ARG B 104      40.323  13.150   9.512  1.00 34.74           C  
-ATOM   1899  NE  ARG B 104      39.733  12.762  10.782  1.00 39.16           N  
-ATOM   1900  CZ  ARG B 104      40.262  11.871  11.611  1.00 41.24           C  
-ATOM   1901  NH1 ARG B 104      41.403  11.272  11.299  1.00 38.44           N  
-ATOM   1902  NH2 ARG B 104      39.653  11.589  12.761  1.00 46.17           N  
-ATOM   1903  N   LEU B 105      41.502  15.445   7.714  1.00  9.33           N  
-ATOM   1904  CA  LEU B 105      41.611  16.593   8.608  1.00  7.93           C  
-ATOM   1905  C   LEU B 105      40.834  17.815   8.143  1.00 11.23           C  
-ATOM   1906  O   LEU B 105      40.028  18.362   8.888  1.00 10.14           O  
-ATOM   1907  CB  LEU B 105      43.080  16.958   8.805  1.00  6.36           C  
-ATOM   1908  CG  LEU B 105      43.903  15.940   9.593  1.00  3.36           C  
-ATOM   1909  CD1 LEU B 105      45.348  16.405   9.763  1.00  3.36           C  
-ATOM   1910  CD2 LEU B 105      43.267  15.778  10.924  1.00  3.36           C  
-ATOM   1911  N   LEU B 106      41.077  18.242   6.910  1.00 14.32           N  
-ATOM   1912  CA  LEU B 106      40.389  19.397   6.354  1.00 14.61           C  
-ATOM   1913  C   LEU B 106      38.878  19.178   6.316  1.00 15.34           C  
-ATOM   1914  O   LEU B 106      38.097  20.056   6.694  1.00 15.99           O  
-ATOM   1915  CB  LEU B 106      40.892  19.681   4.937  1.00 15.38           C  
-ATOM   1916  CG  LEU B 106      40.159  20.824   4.233  1.00  8.37           C  
-ATOM   1917  CD1 LEU B 106      40.260  22.058   5.088  1.00 10.58           C  
-ATOM   1918  CD2 LEU B 106      40.739  21.080   2.887  1.00  3.36           C  
-ATOM   1919  N   GLY B 107      38.476  18.002   5.848  1.00 15.56           N  
-ATOM   1920  CA  GLY B 107      37.066  17.683   5.760  1.00 14.97           C  
-ATOM   1921  C   GLY B 107      36.390  17.892   7.092  1.00 13.27           C  
-ATOM   1922  O   GLY B 107      35.276  18.403   7.158  1.00 11.60           O  
-ATOM   1923  N   ASP B 108      37.070  17.498   8.162  1.00 14.53           N  
-ATOM   1924  CA  ASP B 108      36.505  17.654   9.488  1.00 14.75           C  
-ATOM   1925  C   ASP B 108      36.321  19.116   9.835  1.00 14.28           C  
-ATOM   1926  O   ASP B 108      35.253  19.514  10.293  1.00 16.39           O  
-ATOM   1927  CB  ASP B 108      37.386  16.977  10.525  1.00 17.86           C  
-ATOM   1928  CG  ASP B 108      37.145  15.486  10.606  1.00 26.85           C  
-ATOM   1929  OD1 ASP B 108      37.871  14.829  11.383  1.00 33.18           O  
-ATOM   1930  OD2 ASP B 108      36.234  14.975   9.909  1.00 27.00           O  
-ATOM   1931  N   ILE B 109      37.347  19.928   9.608  1.00 10.64           N  
-ATOM   1932  CA  ILE B 109      37.237  21.347   9.914  1.00  8.82           C  
-ATOM   1933  C   ILE B 109      36.066  21.953   9.137  1.00 12.02           C  
-ATOM   1934  O   ILE B 109      35.220  22.662   9.700  1.00 10.38           O  
-ATOM   1935  CB  ILE B 109      38.550  22.061   9.595  1.00  6.09           C  
-ATOM   1936  CG1 ILE B 109      39.558  21.691  10.677  1.00 11.00           C  
-ATOM   1937  CG2 ILE B 109      38.356  23.579   9.529  1.00  3.36           C  
-ATOM   1938  CD1 ILE B 109      40.963  22.093  10.381  1.00 12.82           C  
-ATOM   1939  N   LEU B 110      36.005  21.642   7.848  1.00 12.35           N  
-ATOM   1940  CA  LEU B 110      34.935  22.124   6.987  1.00 11.90           C  
-ATOM   1941  C   LEU B 110      33.564  21.914   7.646  1.00 10.94           C  
-ATOM   1942  O   LEU B 110      32.717  22.825   7.662  1.00  4.26           O  
-ATOM   1943  CB  LEU B 110      35.020  21.390   5.644  1.00 13.04           C  
-ATOM   1944  CG  LEU B 110      34.073  21.779   4.517  1.00 11.79           C  
-ATOM   1945  CD1 LEU B 110      32.826  20.946   4.629  1.00 16.04           C  
-ATOM   1946  CD2 LEU B 110      33.763  23.274   4.583  1.00 10.82           C  
-ATOM   1947  N   ILE B 111      33.353  20.723   8.204  1.00  9.66           N  
-ATOM   1948  CA  ILE B 111      32.091  20.420   8.874  1.00  9.25           C  
-ATOM   1949  C   ILE B 111      31.838  21.399  10.018  1.00 10.65           C  
-ATOM   1950  O   ILE B 111      30.759  21.987  10.117  1.00 10.66           O  
-ATOM   1951  CB  ILE B 111      32.070  19.003   9.474  1.00  3.36           C  
-ATOM   1952  CG1 ILE B 111      32.278  17.959   8.380  1.00  7.55           C  
-ATOM   1953  CG2 ILE B 111      30.754  18.775  10.182  1.00  3.36           C  
-ATOM   1954  CD1 ILE B 111      31.225  17.966   7.273  1.00  6.48           C  
-ATOM   1955  N   ILE B 112      32.835  21.573  10.880  1.00  8.82           N  
-ATOM   1956  CA  ILE B 112      32.702  22.477  12.017  1.00 11.42           C  
-ATOM   1957  C   ILE B 112      32.341  23.879  11.549  1.00 17.11           C  
-ATOM   1958  O   ILE B 112      31.479  24.529  12.138  1.00 24.57           O  
-ATOM   1959  CB  ILE B 112      34.006  22.560  12.847  1.00  7.53           C  
-ATOM   1960  CG1 ILE B 112      34.341  21.199  13.435  1.00  5.98           C  
-ATOM   1961  CG2 ILE B 112      33.848  23.535  13.984  1.00  3.36           C  
-ATOM   1962  CD1 ILE B 112      35.595  21.215  14.236  1.00 11.81           C  
-ATOM   1963  N   VAL B 113      32.997  24.350  10.492  1.00 19.70           N  
-ATOM   1964  CA  VAL B 113      32.727  25.687   9.964  1.00 17.13           C  
-ATOM   1965  C   VAL B 113      31.260  25.822   9.561  1.00 15.81           C  
-ATOM   1966  O   VAL B 113      30.599  26.774   9.938  1.00 10.94           O  
-ATOM   1967  CB  VAL B 113      33.649  26.012   8.735  1.00 14.80           C  
-ATOM   1968  CG1 VAL B 113      33.160  27.256   8.009  1.00 14.87           C  
-ATOM   1969  CG2 VAL B 113      35.072  26.267   9.206  1.00 19.81           C  
-ATOM   1970  N   LEU B 114      30.752  24.871   8.791  1.00 17.75           N  
-ATOM   1971  CA  LEU B 114      29.367  24.938   8.377  1.00 15.64           C  
-ATOM   1972  C   LEU B 114      28.474  24.990   9.600  1.00 19.08           C  
-ATOM   1973  O   LEU B 114      27.545  25.795   9.659  1.00 26.69           O  
-ATOM   1974  CB  LEU B 114      29.017  23.734   7.504  1.00 14.75           C  
-ATOM   1975  CG  LEU B 114      29.690  23.792   6.132  1.00  5.72           C  
-ATOM   1976  CD1 LEU B 114      29.392  22.551   5.359  1.00 10.39           C  
-ATOM   1977  CD2 LEU B 114      29.201  24.993   5.382  1.00  3.36           C  
-ATOM   1978  N   ALA B 115      28.766  24.151  10.588  1.00 18.66           N  
-ATOM   1979  CA  ALA B 115      27.978  24.117  11.816  1.00 13.09           C  
-ATOM   1980  C   ALA B 115      27.904  25.472  12.528  1.00  9.17           C  
-ATOM   1981  O   ALA B 115      26.914  25.777  13.192  1.00 13.44           O  
-ATOM   1982  CB  ALA B 115      28.547  23.069  12.749  1.00 18.91           C  
-ATOM   1983  N   ALA B 116      28.944  26.285  12.403  1.00  3.36           N  
-ATOM   1984  CA  ALA B 116      28.940  27.592  13.048  1.00  7.30           C  
-ATOM   1985  C   ALA B 116      28.199  28.652  12.251  1.00 12.18           C  
-ATOM   1986  O   ALA B 116      27.761  29.667  12.797  1.00 14.63           O  
-ATOM   1987  CB  ALA B 116      30.343  28.055  13.300  1.00  3.36           C  
-ATOM   1988  N   HIS B 117      28.042  28.416  10.958  1.00 20.88           N  
-ATOM   1989  CA  HIS B 117      27.382  29.383  10.099  1.00 25.20           C  
-ATOM   1990  C   HIS B 117      25.906  29.134   9.891  1.00 25.43           C  
-ATOM   1991  O   HIS B 117      25.160  30.066   9.608  1.00 27.78           O  
-ATOM   1992  CB  HIS B 117      28.112  29.471   8.748  1.00 31.40           C  
-ATOM   1993  CG  HIS B 117      29.418  30.207   8.822  1.00 38.91           C  
-ATOM   1994  ND1 HIS B 117      30.268  30.332   7.744  1.00 43.62           N  
-ATOM   1995  CD2 HIS B 117      30.023  30.846   9.854  1.00 40.77           C  
-ATOM   1996  CE1 HIS B 117      31.342  31.011   8.111  1.00 45.57           C  
-ATOM   1997  NE2 HIS B 117      31.217  31.334   9.386  1.00 44.12           N  
-ATOM   1998  N   PHE B 118      25.470  27.890  10.036  1.00 24.72           N  
-ATOM   1999  CA  PHE B 118      24.061  27.599   9.851  1.00 21.94           C  
-ATOM   2000  C   PHE B 118      23.407  27.205  11.144  1.00 19.34           C  
-ATOM   2001  O   PHE B 118      22.259  26.778  11.151  1.00 21.69           O  
-ATOM   2002  CB  PHE B 118      23.871  26.502   8.807  1.00 24.24           C  
-ATOM   2003  CG  PHE B 118      24.374  26.879   7.458  1.00 29.72           C  
-ATOM   2004  CD1 PHE B 118      25.743  26.984   7.219  1.00 32.53           C  
-ATOM   2005  CD2 PHE B 118      23.488  27.181   6.430  1.00 36.08           C  
-ATOM   2006  CE1 PHE B 118      26.227  27.388   5.968  1.00 33.82           C  
-ATOM   2007  CE2 PHE B 118      23.959  27.588   5.164  1.00 36.35           C  
-ATOM   2008  CZ  PHE B 118      25.329  27.690   4.938  1.00 35.51           C  
-ATOM   2009  N   ALA B 119      24.138  27.363  12.243  1.00 21.41           N  
-ATOM   2010  CA  ALA B 119      23.630  27.027  13.580  1.00 20.42           C  
-ATOM   2011  C   ALA B 119      22.671  25.836  13.617  1.00 23.00           C  
-ATOM   2012  O   ALA B 119      23.005  24.731  13.183  1.00 30.02           O  
-ATOM   2013  CB  ALA B 119      22.964  28.231  14.198  1.00  6.74           C  
-ATOM   2014  N   LYS B 120      21.468  26.064  14.122  1.00 24.89           N  
-ATOM   2015  CA  LYS B 120      20.490  24.986  14.240  1.00 27.65           C  
-ATOM   2016  C   LYS B 120      19.934  24.417  12.921  1.00 29.64           C  
-ATOM   2017  O   LYS B 120      19.225  23.413  12.927  1.00 31.30           O  
-ATOM   2018  CB  LYS B 120      19.353  25.436  15.166  1.00 28.50           C  
-ATOM   2019  CG  LYS B 120      19.869  26.128  16.424  1.00 27.70           C  
-ATOM   2020  CD  LYS B 120      18.861  26.146  17.555  1.00 39.46           C  
-ATOM   2021  CE  LYS B 120      18.692  24.762  18.183  1.00 42.73           C  
-ATOM   2022  NZ  LYS B 120      17.910  24.817  19.456  1.00 49.86           N  
-ATOM   2023  N   GLU B 121      20.255  25.037  11.792  1.00 29.98           N  
-ATOM   2024  CA  GLU B 121      19.790  24.514  10.512  1.00 32.21           C  
-ATOM   2025  C   GLU B 121      20.720  23.383  10.047  1.00 32.66           C  
-ATOM   2026  O   GLU B 121      20.444  22.689   9.051  1.00 30.18           O  
-ATOM   2027  CB  GLU B 121      19.742  25.628   9.469  1.00 38.13           C  
-ATOM   2028  CG  GLU B 121      19.680  25.140   8.029  1.00 47.29           C  
-ATOM   2029  CD  GLU B 121      18.933  26.094   7.117  1.00 51.12           C  
-ATOM   2030  OE1 GLU B 121      19.154  27.323   7.209  1.00 51.05           O  
-ATOM   2031  OE2 GLU B 121      18.124  25.605   6.299  1.00 56.36           O  
-ATOM   2032  N   PHE B 122      21.821  23.206  10.777  1.00 27.27           N  
-ATOM   2033  CA  PHE B 122      22.780  22.159  10.467  1.00 25.19           C  
-ATOM   2034  C   PHE B 122      22.426  20.978  11.362  1.00 27.92           C  
-ATOM   2035  O   PHE B 122      23.087  20.703  12.366  1.00 28.53           O  
-ATOM   2036  CB  PHE B 122      24.200  22.641  10.749  1.00 19.87           C  
-ATOM   2037  CG  PHE B 122      25.239  21.845  10.055  1.00 14.98           C  
-ATOM   2038  CD1 PHE B 122      25.228  21.740   8.670  1.00 17.95           C  
-ATOM   2039  CD2 PHE B 122      26.208  21.164  10.775  1.00 16.71           C  
-ATOM   2040  CE1 PHE B 122      26.170  20.961   8.003  1.00 19.31           C  
-ATOM   2041  CE2 PHE B 122      27.158  20.378  10.122  1.00 18.36           C  
-ATOM   2042  CZ  PHE B 122      27.137  20.277   8.731  1.00 18.62           C  
-ATOM   2043  N   THR B 123      21.357  20.293  10.980  1.00 30.47           N  
-ATOM   2044  CA  THR B 123      20.828  19.147  11.707  1.00 29.05           C  
-ATOM   2045  C   THR B 123      21.725  17.926  11.621  1.00 27.89           C  
-ATOM   2046  O   THR B 123      22.507  17.785  10.684  1.00 29.44           O  
-ATOM   2047  CB  THR B 123      19.466  18.754  11.138  1.00 30.89           C  
-ATOM   2048  OG1 THR B 123      19.632  18.294   9.788  1.00 33.92           O  
-ATOM   2049  CG2 THR B 123      18.534  19.954  11.135  1.00 34.26           C  
-ATOM   2050  N   PRO B 124      21.617  17.022  12.607  1.00 24.92           N  
-ATOM   2051  CA  PRO B 124      22.406  15.796  12.654  1.00 19.27           C  
-ATOM   2052  C   PRO B 124      22.382  15.075  11.313  1.00 21.61           C  
-ATOM   2053  O   PRO B 124      23.426  14.646  10.800  1.00 22.34           O  
-ATOM   2054  CB  PRO B 124      21.720  15.016  13.744  1.00 17.76           C  
-ATOM   2055  CG  PRO B 124      21.390  16.094  14.709  1.00 20.15           C  
-ATOM   2056  CD  PRO B 124      20.806  17.155  13.827  1.00 22.00           C  
-ATOM   2057  N   ASP B 125      21.196  14.943  10.733  1.00 22.53           N  
-ATOM   2058  CA  ASP B 125      21.093  14.284   9.439  1.00 30.02           C  
-ATOM   2059  C   ASP B 125      21.926  15.030   8.420  1.00 31.80           C  
-ATOM   2060  O   ASP B 125      22.597  14.413   7.585  1.00 33.06           O  
-ATOM   2061  CB  ASP B 125      19.655  14.256   8.961  1.00 36.38           C  
-ATOM   2062  CG  ASP B 125      18.756  13.562   9.927  1.00 44.83           C  
-ATOM   2063  OD1 ASP B 125      18.580  14.090  11.049  1.00 50.69           O  
-ATOM   2064  OD2 ASP B 125      18.240  12.485   9.563  1.00 50.64           O  
-ATOM   2065  N   CYS B 126      21.858  16.361   8.484  1.00 32.02           N  
-ATOM   2066  CA  CYS B 126      22.615  17.219   7.582  1.00 25.81           C  
-ATOM   2067  C   CYS B 126      24.124  16.982   7.822  1.00 23.29           C  
-ATOM   2068  O   CYS B 126      24.888  16.767   6.871  1.00 18.14           O  
-ATOM   2069  CB  CYS B 126      22.236  18.687   7.821  1.00 27.33           C  
-ATOM   2070  SG  CYS B 126      22.782  19.847   6.518  1.00 35.00           S  
-ATOM   2071  N   GLN B 127      24.553  16.994   9.085  1.00 17.55           N  
-ATOM   2072  CA  GLN B 127      25.955  16.758   9.361  1.00 15.52           C  
-ATOM   2073  C   GLN B 127      26.392  15.458   8.710  1.00 15.81           C  
-ATOM   2074  O   GLN B 127      27.365  15.424   7.973  1.00 11.58           O  
-ATOM   2075  CB  GLN B 127      26.227  16.679  10.850  1.00 11.17           C  
-ATOM   2076  CG  GLN B 127      27.636  16.188  11.124  1.00 11.15           C  
-ATOM   2077  CD  GLN B 127      28.017  16.259  12.580  1.00 20.76           C  
-ATOM   2078  OE1 GLN B 127      27.206  16.646  13.434  1.00 25.40           O  
-ATOM   2079  NE2 GLN B 127      29.260  15.884  12.883  1.00 20.11           N  
-ATOM   2080  N   ALA B 128      25.661  14.386   8.978  1.00 18.99           N  
-ATOM   2081  CA  ALA B 128      25.997  13.088   8.397  1.00 20.44           C  
-ATOM   2082  C   ALA B 128      26.137  13.131   6.872  1.00 19.12           C  
-ATOM   2083  O   ALA B 128      27.053  12.530   6.311  1.00 22.70           O  
-ATOM   2084  CB  ALA B 128      24.957  12.057   8.787  1.00 17.74           C  
-ATOM   2085  N   ALA B 129      25.238  13.842   6.202  1.00 16.75           N  
-ATOM   2086  CA  ALA B 129      25.276  13.931   4.744  1.00 20.87           C  
-ATOM   2087  C   ALA B 129      26.572  14.561   4.227  1.00 22.96           C  
-ATOM   2088  O   ALA B 129      27.150  14.105   3.229  1.00 20.34           O  
-ATOM   2089  CB  ALA B 129      24.078  14.715   4.239  1.00 18.56           C  
-ATOM   2090  N   TRP B 130      27.022  15.615   4.901  1.00 23.31           N  
-ATOM   2091  CA  TRP B 130      28.253  16.269   4.509  1.00 22.29           C  
-ATOM   2092  C   TRP B 130      29.450  15.428   4.910  1.00 23.40           C  
-ATOM   2093  O   TRP B 130      30.425  15.340   4.173  1.00 29.27           O  
-ATOM   2094  CB  TRP B 130      28.316  17.666   5.107  1.00 23.06           C  
-ATOM   2095  CG  TRP B 130      27.369  18.551   4.392  1.00 24.52           C  
-ATOM   2096  CD1 TRP B 130      26.023  18.638   4.588  1.00 26.37           C  
-ATOM   2097  CD2 TRP B 130      27.662  19.372   3.262  1.00 24.70           C  
-ATOM   2098  NE1 TRP B 130      25.455  19.456   3.643  1.00 22.93           N  
-ATOM   2099  CE2 TRP B 130      26.439  19.924   2.817  1.00 21.89           C  
-ATOM   2100  CE3 TRP B 130      28.840  19.695   2.578  1.00 23.25           C  
-ATOM   2101  CZ2 TRP B 130      26.358  20.782   1.720  1.00 26.91           C  
-ATOM   2102  CZ3 TRP B 130      28.757  20.555   1.477  1.00 27.87           C  
-ATOM   2103  CH2 TRP B 130      27.523  21.087   1.062  1.00 25.71           C  
-ATOM   2104  N   GLN B 131      29.381  14.801   6.072  1.00 21.48           N  
-ATOM   2105  CA  GLN B 131      30.455  13.932   6.491  1.00 24.59           C  
-ATOM   2106  C   GLN B 131      30.719  12.975   5.338  1.00 30.51           C  
-ATOM   2107  O   GLN B 131      31.851  12.826   4.869  1.00 33.29           O  
-ATOM   2108  CB  GLN B 131      30.027  13.133   7.701  1.00 23.04           C  
-ATOM   2109  CG  GLN B 131      30.222  13.876   8.977  1.00 27.76           C  
-ATOM   2110  CD  GLN B 131      31.670  13.968   9.332  1.00 32.17           C  
-ATOM   2111  OE1 GLN B 131      32.017  14.430  10.421  1.00 33.05           O  
-ATOM   2112  NE2 GLN B 131      32.544  13.521   8.413  1.00 30.92           N  
-ATOM   2113  N   LYS B 132      29.649  12.338   4.877  1.00 30.78           N  
-ATOM   2114  CA  LYS B 132      29.733  11.383   3.784  1.00 29.48           C  
-ATOM   2115  C   LYS B 132      30.373  12.031   2.570  1.00 29.55           C  
-ATOM   2116  O   LYS B 132      31.361  11.523   2.034  1.00 33.60           O  
-ATOM   2117  CB  LYS B 132      28.334  10.881   3.441  1.00 31.08           C  
-ATOM   2118  CG  LYS B 132      28.282   9.779   2.408  1.00 35.42           C  
-ATOM   2119  CD  LYS B 132      26.848   9.315   2.205  1.00 37.75           C  
-ATOM   2120  CE  LYS B 132      26.746   8.193   1.184  1.00 40.29           C  
-ATOM   2121  NZ  LYS B 132      25.339   7.720   1.046  1.00 37.27           N  
-ATOM   2122  N   LEU B 133      29.813  13.152   2.131  1.00 26.98           N  
-ATOM   2123  CA  LEU B 133      30.357  13.859   0.971  1.00 25.24           C  
-ATOM   2124  C   LEU B 133      31.867  14.066   1.156  1.00 24.10           C  
-ATOM   2125  O   LEU B 133      32.671  13.584   0.365  1.00 21.82           O  
-ATOM   2126  CB  LEU B 133      29.646  15.209   0.807  1.00 22.61           C  
-ATOM   2127  CG  LEU B 133      30.013  16.151  -0.344  1.00 18.76           C  
-ATOM   2128  CD1 LEU B 133      29.688  15.528  -1.686  1.00 17.17           C  
-ATOM   2129  CD2 LEU B 133      29.221  17.430  -0.182  1.00 17.48           C  
-ATOM   2130  N   VAL B 134      32.233  14.770   2.223  1.00 25.66           N  
-ATOM   2131  CA  VAL B 134      33.621  15.056   2.556  1.00 22.31           C  
-ATOM   2132  C   VAL B 134      34.538  13.828   2.444  1.00 25.64           C  
-ATOM   2133  O   VAL B 134      35.652  13.920   1.920  1.00 27.71           O  
-ATOM   2134  CB  VAL B 134      33.687  15.660   3.977  1.00 15.65           C  
-ATOM   2135  CG1 VAL B 134      34.897  15.166   4.720  1.00 20.16           C  
-ATOM   2136  CG2 VAL B 134      33.716  17.160   3.880  1.00 14.91           C  
-ATOM   2137  N   ARG B 135      34.075  12.683   2.934  1.00 27.63           N  
-ATOM   2138  CA  ARG B 135      34.868  11.459   2.869  1.00 29.84           C  
-ATOM   2139  C   ARG B 135      34.926  10.897   1.459  1.00 30.64           C  
-ATOM   2140  O   ARG B 135      35.992  10.523   0.994  1.00 38.74           O  
-ATOM   2141  CB  ARG B 135      34.303  10.391   3.795  1.00 32.48           C  
-ATOM   2142  CG  ARG B 135      34.621  10.582   5.275  1.00 43.36           C  
-ATOM   2143  CD  ARG B 135      33.657   9.745   6.131  1.00 51.75           C  
-ATOM   2144  NE  ARG B 135      33.589   8.350   5.683  1.00 54.41           N  
-ATOM   2145  CZ  ARG B 135      32.461   7.648   5.575  1.00 53.75           C  
-ATOM   2146  NH1 ARG B 135      31.290   8.208   5.884  1.00 50.49           N  
-ATOM   2147  NH2 ARG B 135      32.504   6.387   5.153  1.00 48.49           N  
-ATOM   2148  N   VAL B 136      33.791  10.825   0.774  1.00 27.32           N  
-ATOM   2149  CA  VAL B 136      33.792  10.304  -0.588  1.00 22.48           C  
-ATOM   2150  C   VAL B 136      34.647  11.189  -1.502  1.00 21.70           C  
-ATOM   2151  O   VAL B 136      35.099  10.755  -2.557  1.00 24.38           O  
-ATOM   2152  CB  VAL B 136      32.383  10.240  -1.181  1.00 20.49           C  
-ATOM   2153  CG1 VAL B 136      32.037  11.549  -1.809  1.00 21.55           C  
-ATOM   2154  CG2 VAL B 136      32.311   9.160  -2.223  1.00 25.83           C  
-ATOM   2155  N   VAL B 137      34.857  12.439  -1.111  1.00 20.07           N  
-ATOM   2156  CA  VAL B 137      35.680  13.309  -1.928  1.00 19.26           C  
-ATOM   2157  C   VAL B 137      37.125  12.936  -1.649  1.00 22.02           C  
-ATOM   2158  O   VAL B 137      37.882  12.679  -2.573  1.00 27.71           O  
-ATOM   2159  CB  VAL B 137      35.488  14.812  -1.597  1.00 15.72           C  
-ATOM   2160  CG1 VAL B 137      36.236  15.664  -2.615  1.00 11.45           C  
-ATOM   2161  CG2 VAL B 137      34.038  15.175  -1.621  1.00 10.24           C  
-ATOM   2162  N   ALA B 138      37.503  12.899  -0.374  1.00 22.60           N  
-ATOM   2163  CA  ALA B 138      38.874  12.562   0.007  1.00 23.59           C  
-ATOM   2164  C   ALA B 138      39.303  11.203  -0.527  1.00 25.21           C  
-ATOM   2165  O   ALA B 138      40.469  10.997  -0.822  1.00 26.23           O  
-ATOM   2166  CB  ALA B 138      39.018  12.587   1.522  1.00 22.36           C  
-ATOM   2167  N   HIS B 139      38.358  10.272  -0.632  1.00 31.57           N  
-ATOM   2168  CA  HIS B 139      38.641   8.928  -1.140  1.00 33.90           C  
-ATOM   2169  C   HIS B 139      38.930   9.028  -2.631  1.00 31.10           C  
-ATOM   2170  O   HIS B 139      39.634   8.191  -3.189  1.00 33.00           O  
-ATOM   2171  CB  HIS B 139      37.439   8.000  -0.923  1.00 43.94           C  
-ATOM   2172  CG  HIS B 139      37.714   6.555  -1.233  1.00 57.97           C  
-ATOM   2173  ND1 HIS B 139      38.313   5.697  -0.332  1.00 62.79           N  
-ATOM   2174  CD2 HIS B 139      37.475   5.818  -2.347  1.00 61.27           C  
-ATOM   2175  CE1 HIS B 139      38.429   4.496  -0.876  1.00 62.18           C  
-ATOM   2176  NE2 HIS B 139      37.929   4.542  -2.098  1.00 63.20           N  
-ATOM   2177  N   ALA B 140      38.370  10.051  -3.269  1.00 27.09           N  
-ATOM   2178  CA  ALA B 140      38.575  10.281  -4.691  1.00 22.31           C  
-ATOM   2179  C   ALA B 140      39.940  10.923  -4.898  1.00 21.55           C  
-ATOM   2180  O   ALA B 140      40.617  10.643  -5.883  1.00 25.39           O  
-ATOM   2181  CB  ALA B 140      37.477  11.178  -5.246  1.00 22.38           C  
-ATOM   2182  N   LEU B 141      40.341  11.788  -3.973  1.00 22.68           N  
-ATOM   2183  CA  LEU B 141      41.642  12.441  -4.052  1.00 28.06           C  
-ATOM   2184  C   LEU B 141      42.742  11.442  -3.731  1.00 34.58           C  
-ATOM   2185  O   LEU B 141      43.743  11.367  -4.446  1.00 37.48           O  
-ATOM   2186  CB  LEU B 141      41.739  13.602  -3.073  1.00 28.28           C  
-ATOM   2187  CG  LEU B 141      41.067  14.923  -3.442  1.00 32.14           C  
-ATOM   2188  CD1 LEU B 141      41.522  15.990  -2.459  1.00 33.26           C  
-ATOM   2189  CD2 LEU B 141      41.444  15.334  -4.857  1.00 33.93           C  
-ATOM   2190  N   ALA B 142      42.564  10.695  -2.642  1.00 39.31           N  
-ATOM   2191  CA  ALA B 142      43.533   9.677  -2.240  1.00 43.76           C  
-ATOM   2192  C   ALA B 142      43.662   8.782  -3.451  1.00 46.92           C  
-ATOM   2193  O   ALA B 142      44.435   9.091  -4.343  1.00 51.17           O  
-ATOM   2194  CB  ALA B 142      43.024   8.874  -1.042  1.00 43.24           C  
-ATOM   2195  N   ARG B 143      42.887   7.697  -3.475  1.00 49.16           N  
-ATOM   2196  CA  ARG B 143      42.852   6.726  -4.576  1.00 52.52           C  
-ATOM   2197  C   ARG B 143      44.095   6.701  -5.469  1.00 55.58           C  
-ATOM   2198  O   ARG B 143      44.699   5.642  -5.654  1.00 53.64           O  
-ATOM   2199  CB  ARG B 143      41.571   6.954  -5.404  1.00 52.80           C  
-ATOM   2200  CG  ARG B 143      41.760   7.338  -6.855  1.00 56.51           C  
-ATOM   2201  CD  ARG B 143      41.896   6.108  -7.743  1.00 64.09           C  
-ATOM   2202  NE  ARG B 143      41.929   6.464  -9.164  1.00 68.86           N  
-ATOM   2203  CZ  ARG B 143      40.927   7.047  -9.822  1.00 67.08           C  
-ATOM   2204  NH1 ARG B 143      39.796   7.347  -9.197  1.00 63.17           N  
-ATOM   2205  NH2 ARG B 143      41.058   7.335 -11.110  1.00 69.60           N  
-ATOM   2206  N   LYS B 144      44.460   7.863  -6.018  1.00 61.06           N  
-ATOM   2207  CA  LYS B 144      45.643   8.044  -6.876  1.00 64.05           C  
-ATOM   2208  C   LYS B 144      46.949   7.440  -6.292  1.00 65.01           C  
-ATOM   2209  O   LYS B 144      47.979   7.386  -6.980  1.00 66.98           O  
-ATOM   2210  CB  LYS B 144      45.864   9.546  -7.148  1.00 62.82           C  
-ATOM   2211  CG  LYS B 144      46.087   9.940  -8.621  1.00 62.77           C  
-ATOM   2212  CD  LYS B 144      47.207   9.155  -9.317  1.00 58.88           C  
-ATOM   2213  CE  LYS B 144      46.700   7.818  -9.861  1.00 59.42           C  
-ATOM   2214  NZ  LYS B 144      47.780   6.997 -10.479  1.00 58.69           N  
-ATOM   2215  N   TYR B 145      46.909   7.001  -5.031  1.00 63.59           N  
-ATOM   2216  CA  TYR B 145      48.077   6.397  -4.378  1.00 60.55           C  
-ATOM   2217  C   TYR B 145      47.914   4.879  -4.417  1.00 58.48           C  
-ATOM   2218  O   TYR B 145      48.817   4.129  -4.036  1.00 53.61           O  
-ATOM   2219  CB  TYR B 145      48.180   6.855  -2.915  1.00 58.92           C  
-ATOM   2220  CG  TYR B 145      48.048   8.347  -2.707  1.00 50.15           C  
-ATOM   2221  CD1 TYR B 145      49.107   9.106  -2.234  1.00 49.26           C  
-ATOM   2222  CD2 TYR B 145      46.857   8.990  -2.967  1.00 44.39           C  
-ATOM   2223  CE1 TYR B 145      48.968  10.469  -2.026  1.00 52.32           C  
-ATOM   2224  CE2 TYR B 145      46.711  10.339  -2.767  1.00 46.34           C  
-ATOM   2225  CZ  TYR B 145      47.762  11.079  -2.294  1.00 51.59           C  
-ATOM   2226  OH  TYR B 145      47.596  12.429  -2.086  1.00 57.33           O  
-ATOM   2227  N   HIS B 146      46.739   4.450  -4.873  1.00 60.88           N  
-ATOM   2228  CA  HIS B 146      46.391   3.037  -4.997  1.00 65.75           C  
-ATOM   2229  C   HIS B 146      45.475   2.804  -6.200  1.00 69.81           C  
-ATOM   2230  O   HIS B 146      45.953   2.173  -7.177  1.00 71.23           O  
-ATOM   2231  CB  HIS B 146      45.695   2.548  -3.720  1.00 63.99           C  
-ATOM   2232  CG  HIS B 146      46.606   1.818  -2.781  1.00 61.51           C  
-ATOM   2233  ND1 HIS B 146      46.315   1.647  -1.444  1.00 60.08           N  
-ATOM   2234  CD2 HIS B 146      47.801   1.216  -2.987  1.00 59.00           C  
-ATOM   2235  CE1 HIS B 146      47.294   0.973  -0.868  1.00 56.38           C  
-ATOM   2236  NE2 HIS B 146      48.207   0.699  -1.781  1.00 54.86           N  
-ATOM   2237  OXT HIS B 146      44.300   3.255  -6.151  1.00 71.73           O  
-TER    2238      HIS B 146                                                      
-ATOM   2239  N   VAL C   1      54.143   8.109  28.685  1.00 57.07           N  
-ATOM   2240  CA  VAL C   1      54.813   8.352  30.004  1.00 51.44           C  
-ATOM   2241  C   VAL C   1      55.895   7.304  30.226  1.00 47.73           C  
-ATOM   2242  O   VAL C   1      56.986   7.624  30.698  1.00 48.42           O  
-ATOM   2243  CB  VAL C   1      53.808   8.254  31.196  1.00 55.37           C  
-ATOM   2244  CG1 VAL C   1      52.543   9.062  30.903  1.00 51.49           C  
-ATOM   2245  CG2 VAL C   1      53.452   6.791  31.472  1.00 53.83           C  
-ATOM   2246  N   LEU C   2      55.554   6.057  29.886  1.00 42.09           N  
-ATOM   2247  CA  LEU C   2      56.420   4.892  30.015  1.00 34.74           C  
-ATOM   2248  C   LEU C   2      56.584   4.387  31.442  1.00 31.26           C  
-ATOM   2249  O   LEU C   2      57.164   5.059  32.297  1.00 26.66           O  
-ATOM   2250  CB  LEU C   2      57.797   5.166  29.401  1.00 36.00           C  
-ATOM   2251  CG  LEU C   2      57.805   5.319  27.877  1.00 35.28           C  
-ATOM   2252  CD1 LEU C   2      59.237   5.223  27.368  1.00 34.40           C  
-ATOM   2253  CD2 LEU C   2      56.948   4.218  27.241  1.00 38.29           C  
-ATOM   2254  N   SER C   3      56.068   3.184  31.681  1.00 28.05           N  
-ATOM   2255  CA  SER C   3      56.148   2.540  32.984  1.00 23.76           C  
-ATOM   2256  C   SER C   3      57.587   2.146  33.313  1.00 28.34           C  
-ATOM   2257  O   SER C   3      58.532   2.470  32.583  1.00 28.90           O  
-ATOM   2258  CB  SER C   3      55.279   1.289  32.999  1.00 19.33           C  
-ATOM   2259  OG  SER C   3      55.854   0.279  32.191  1.00 18.46           O  
-ATOM   2260  N   ALA C   4      57.756   1.458  34.436  1.00 33.01           N  
-ATOM   2261  CA  ALA C   4      59.080   1.010  34.847  1.00 31.55           C  
-ATOM   2262  C   ALA C   4      59.515  -0.114  33.904  1.00 28.08           C  
-ATOM   2263  O   ALA C   4      60.634  -0.111  33.383  1.00 25.39           O  
-ATOM   2264  CB  ALA C   4      59.028   0.505  36.274  1.00 32.95           C  
-ATOM   2265  N   ALA C   5      58.603  -1.061  33.694  1.00 22.88           N  
-ATOM   2266  CA  ALA C   5      58.815  -2.216  32.832  1.00 21.06           C  
-ATOM   2267  C   ALA C   5      59.147  -1.788  31.416  1.00 25.40           C  
-ATOM   2268  O   ALA C   5      60.111  -2.262  30.807  1.00 27.60           O  
-ATOM   2269  CB  ALA C   5      57.569  -3.066  32.818  1.00 16.73           C  
-ATOM   2270  N   ASP C   6      58.315  -0.906  30.885  1.00 23.08           N  
-ATOM   2271  CA  ASP C   6      58.518  -0.396  29.554  1.00 18.45           C  
-ATOM   2272  C   ASP C   6      59.939   0.157  29.446  1.00 20.45           C  
-ATOM   2273  O   ASP C   6      60.637  -0.118  28.469  1.00 24.52           O  
-ATOM   2274  CB  ASP C   6      57.483   0.694  29.271  1.00 13.64           C  
-ATOM   2275  CG  ASP C   6      56.101   0.129  29.029  1.00 11.99           C  
-ATOM   2276  OD1 ASP C   6      55.110   0.854  29.240  1.00 10.35           O  
-ATOM   2277  OD2 ASP C   6      55.993  -1.038  28.604  1.00 15.78           O  
-ATOM   2278  N   LYS C   7      60.363   0.926  30.449  1.00 21.43           N  
-ATOM   2279  CA  LYS C   7      61.699   1.523  30.465  1.00 25.50           C  
-ATOM   2280  C   LYS C   7      62.768   0.443  30.467  1.00 27.35           C  
-ATOM   2281  O   LYS C   7      63.779   0.530  29.770  1.00 25.61           O  
-ATOM   2282  CB  LYS C   7      61.911   2.398  31.711  1.00 28.59           C  
-ATOM   2283  CG  LYS C   7      61.080   3.665  31.818  1.00 29.95           C  
-ATOM   2284  CD  LYS C   7      61.728   4.617  32.834  1.00 32.83           C  
-ATOM   2285  CE  LYS C   7      60.801   5.750  33.284  1.00 30.24           C  
-ATOM   2286  NZ  LYS C   7      59.679   5.222  34.118  1.00 35.75           N  
-ATOM   2287  N   THR C   8      62.539  -0.576  31.283  1.00 30.66           N  
-ATOM   2288  CA  THR C   8      63.473  -1.681  31.408  1.00 30.10           C  
-ATOM   2289  C   THR C   8      63.626  -2.423  30.100  1.00 28.34           C  
-ATOM   2290  O   THR C   8      64.747  -2.724  29.687  1.00 28.92           O  
-ATOM   2291  CB  THR C   8      63.012  -2.660  32.497  1.00 31.48           C  
-ATOM   2292  OG1 THR C   8      63.007  -1.981  33.758  1.00 32.47           O  
-ATOM   2293  CG2 THR C   8      63.947  -3.860  32.576  1.00 32.68           C  
-ATOM   2294  N   ASN C   9      62.499  -2.726  29.461  1.00 24.70           N  
-ATOM   2295  CA  ASN C   9      62.530  -3.427  28.194  1.00 26.63           C  
-ATOM   2296  C   ASN C   9      63.235  -2.598  27.137  1.00 25.14           C  
-ATOM   2297  O   ASN C   9      64.094  -3.106  26.413  1.00 27.35           O  
-ATOM   2298  CB  ASN C   9      61.122  -3.760  27.732  1.00 28.31           C  
-ATOM   2299  CG  ASN C   9      60.456  -4.750  28.628  1.00 32.24           C  
-ATOM   2300  OD1 ASN C   9      59.418  -5.312  28.289  1.00 37.07           O  
-ATOM   2301  ND2 ASN C   9      61.047  -4.975  29.792  1.00 39.60           N  
-ATOM   2302  N   VAL C  10      62.876  -1.324  27.049  1.00 20.64           N  
-ATOM   2303  CA  VAL C  10      63.501  -0.444  26.072  1.00 21.11           C  
-ATOM   2304  C   VAL C  10      65.005  -0.476  26.274  1.00 21.99           C  
-ATOM   2305  O   VAL C  10      65.761  -0.719  25.334  1.00 26.13           O  
-ATOM   2306  CB  VAL C  10      62.989   1.010  26.209  1.00 21.60           C  
-ATOM   2307  CG1 VAL C  10      63.783   1.932  25.305  1.00 15.52           C  
-ATOM   2308  CG2 VAL C  10      61.495   1.071  25.868  1.00 18.46           C  
-ATOM   2309  N   LYS C  11      65.444  -0.244  27.503  1.00 20.51           N  
-ATOM   2310  CA  LYS C  11      66.869  -0.263  27.797  1.00 23.26           C  
-ATOM   2311  C   LYS C  11      67.500  -1.581  27.358  1.00 23.17           C  
-ATOM   2312  O   LYS C  11      68.569  -1.590  26.756  1.00 23.10           O  
-ATOM   2313  CB  LYS C  11      67.100  -0.057  29.292  1.00 26.25           C  
-ATOM   2314  CG  LYS C  11      67.171   1.382  29.715  1.00 32.07           C  
-ATOM   2315  CD  LYS C  11      67.183   1.491  31.223  1.00 39.19           C  
-ATOM   2316  CE  LYS C  11      67.488   2.913  31.669  1.00 47.69           C  
-ATOM   2317  NZ  LYS C  11      68.821   3.364  31.161  1.00 48.92           N  
-ATOM   2318  N   GLY C  12      66.828  -2.691  27.663  1.00 27.34           N  
-ATOM   2319  CA  GLY C  12      67.332  -4.006  27.303  1.00 24.26           C  
-ATOM   2320  C   GLY C  12      67.666  -4.173  25.823  1.00 22.85           C  
-ATOM   2321  O   GLY C  12      68.827  -4.400  25.457  1.00 16.36           O  
-ATOM   2322  N   VAL C  13      66.650  -4.054  24.969  1.00 20.15           N  
-ATOM   2323  CA  VAL C  13      66.826  -4.216  23.533  1.00 14.97           C  
-ATOM   2324  C   VAL C  13      67.788  -3.213  22.941  1.00 16.06           C  
-ATOM   2325  O   VAL C  13      68.330  -3.423  21.867  1.00 16.18           O  
-ATOM   2326  CB  VAL C  13      65.487  -4.134  22.795  1.00 13.55           C  
-ATOM   2327  CG1 VAL C  13      64.816  -2.799  23.059  1.00 10.01           C  
-ATOM   2328  CG2 VAL C  13      65.708  -4.364  21.317  1.00 11.92           C  
-ATOM   2329  N   PHE C  14      68.005  -2.113  23.638  1.00 20.53           N  
-ATOM   2330  CA  PHE C  14      68.948  -1.126  23.147  1.00 19.69           C  
-ATOM   2331  C   PHE C  14      70.350  -1.543  23.541  1.00 17.98           C  
-ATOM   2332  O   PHE C  14      71.313  -1.132  22.909  1.00 24.88           O  
-ATOM   2333  CB  PHE C  14      68.616   0.267  23.693  1.00 21.99           C  
-ATOM   2334  CG  PHE C  14      67.838   1.110  22.726  1.00 20.71           C  
-ATOM   2335  CD1 PHE C  14      68.497   1.844  21.751  1.00 14.14           C  
-ATOM   2336  CD2 PHE C  14      66.441   1.094  22.734  1.00 19.85           C  
-ATOM   2337  CE1 PHE C  14      67.782   2.541  20.799  1.00 20.77           C  
-ATOM   2338  CE2 PHE C  14      65.708   1.786  21.786  1.00 15.31           C  
-ATOM   2339  CZ  PHE C  14      66.378   2.512  20.813  1.00 23.74           C  
-ATOM   2340  N   SER C  15      70.461  -2.366  24.579  1.00 15.85           N  
-ATOM   2341  CA  SER C  15      71.765  -2.845  25.017  1.00 15.95           C  
-ATOM   2342  C   SER C  15      72.304  -3.797  23.965  1.00 14.50           C  
-ATOM   2343  O   SER C  15      73.504  -3.830  23.720  1.00 10.29           O  
-ATOM   2344  CB  SER C  15      71.670  -3.586  26.364  1.00 22.28           C  
-ATOM   2345  OG  SER C  15      71.069  -4.872  26.253  1.00 16.64           O  
-ATOM   2346  N   LYS C  16      71.404  -4.570  23.352  1.00 15.77           N  
-ATOM   2347  CA  LYS C  16      71.775  -5.532  22.316  1.00 17.02           C  
-ATOM   2348  C   LYS C  16      72.132  -4.896  20.984  1.00 20.46           C  
-ATOM   2349  O   LYS C  16      72.944  -5.443  20.241  1.00 25.84           O  
-ATOM   2350  CB  LYS C  16      70.658  -6.543  22.061  1.00 11.18           C  
-ATOM   2351  CG  LYS C  16      70.586  -7.694  23.041  1.00  7.61           C  
-ATOM   2352  CD  LYS C  16      69.661  -7.387  24.173  1.00  7.12           C  
-ATOM   2353  CE  LYS C  16      69.170  -8.660  24.816  1.00  3.36           C  
-ATOM   2354  NZ  LYS C  16      68.150  -8.331  25.816  1.00  3.36           N  
-ATOM   2355  N   ILE C  17      71.532  -3.755  20.663  1.00 20.83           N  
-ATOM   2356  CA  ILE C  17      71.850  -3.128  19.396  1.00 22.10           C  
-ATOM   2357  C   ILE C  17      72.935  -2.095  19.538  1.00 24.98           C  
-ATOM   2358  O   ILE C  17      73.538  -1.712  18.538  1.00 28.00           O  
-ATOM   2359  CB  ILE C  17      70.629  -2.457  18.733  1.00 19.02           C  
-ATOM   2360  CG1 ILE C  17      70.190  -1.245  19.552  1.00 16.02           C  
-ATOM   2361  CG2 ILE C  17      69.510  -3.475  18.564  1.00 25.57           C  
-ATOM   2362  CD1 ILE C  17      69.133  -0.420  18.882  1.00  7.92           C  
-ATOM   2363  N   SER C  18      73.195  -1.632  20.759  1.00 30.83           N  
-ATOM   2364  CA  SER C  18      74.250  -0.628  20.948  1.00 40.03           C  
-ATOM   2365  C   SER C  18      75.495  -1.171  20.252  1.00 40.88           C  
-ATOM   2366  O   SER C  18      75.747  -2.382  20.259  1.00 42.54           O  
-ATOM   2367  CB  SER C  18      74.543  -0.378  22.440  1.00 41.02           C  
-ATOM   2368  OG  SER C  18      75.262  -1.451  23.034  1.00 42.63           O  
-ATOM   2369  N   GLY C  19      76.268  -0.286  19.640  1.00 39.84           N  
-ATOM   2370  CA  GLY C  19      77.448  -0.742  18.934  1.00 35.53           C  
-ATOM   2371  C   GLY C  19      77.058  -1.136  17.525  1.00 32.49           C  
-ATOM   2372  O   GLY C  19      77.688  -1.974  16.910  1.00 31.01           O  
-ATOM   2373  N   HIS C  20      75.992  -0.536  17.015  1.00 37.21           N  
-ATOM   2374  CA  HIS C  20      75.538  -0.823  15.661  1.00 38.83           C  
-ATOM   2375  C   HIS C  20      74.787   0.358  15.073  1.00 36.40           C  
-ATOM   2376  O   HIS C  20      74.217   0.264  13.989  1.00 35.16           O  
-ATOM   2377  CB  HIS C  20      74.652  -2.063  15.647  1.00 41.82           C  
-ATOM   2378  CG  HIS C  20      75.403  -3.338  15.859  1.00 44.09           C  
-ATOM   2379  ND1 HIS C  20      76.306  -3.829  14.941  1.00 45.15           N  
-ATOM   2380  CD2 HIS C  20      75.393  -4.221  16.886  1.00 47.47           C  
-ATOM   2381  CE1 HIS C  20      76.816  -4.963  15.390  1.00 44.65           C  
-ATOM   2382  NE2 HIS C  20      76.279  -5.222  16.569  1.00 47.01           N  
-ATOM   2383  N   ALA C  21      74.798   1.471  15.795  1.00 35.04           N  
-ATOM   2384  CA  ALA C  21      74.123   2.674  15.342  1.00 32.83           C  
-ATOM   2385  C   ALA C  21      74.410   2.856  13.859  1.00 32.01           C  
-ATOM   2386  O   ALA C  21      73.506   2.796  13.027  1.00 33.22           O  
-ATOM   2387  CB  ALA C  21      74.619   3.877  16.130  1.00 28.74           C  
-ATOM   2388  N   GLU C  22      75.679   3.057  13.536  1.00 30.12           N  
-ATOM   2389  CA  GLU C  22      76.103   3.250  12.158  1.00 29.08           C  
-ATOM   2390  C   GLU C  22      75.389   2.289  11.208  1.00 24.74           C  
-ATOM   2391  O   GLU C  22      74.676   2.704  10.307  1.00 24.56           O  
-ATOM   2392  CB  GLU C  22      77.623   3.061  12.082  1.00 34.62           C  
-ATOM   2393  CG  GLU C  22      78.222   2.922  10.688  1.00 42.47           C  
-ATOM   2394  CD  GLU C  22      78.417   4.238   9.989  1.00 41.58           C  
-ATOM   2395  OE1 GLU C  22      78.857   5.197  10.655  1.00 48.82           O  
-ATOM   2396  OE2 GLU C  22      78.147   4.309   8.773  1.00 42.33           O  
-ATOM   2397  N   GLU C  23      75.561   0.998  11.435  1.00 26.17           N  
-ATOM   2398  CA  GLU C  23      74.967  -0.023  10.578  1.00 27.67           C  
-ATOM   2399  C   GLU C  23      73.441  -0.083  10.508  1.00 26.12           C  
-ATOM   2400  O   GLU C  23      72.873  -0.081   9.414  1.00 23.06           O  
-ATOM   2401  CB  GLU C  23      75.508  -1.397  10.972  1.00 32.19           C  
-ATOM   2402  CG  GLU C  23      75.005  -2.523  10.089  1.00 42.25           C  
-ATOM   2403  CD  GLU C  23      75.510  -3.883  10.521  1.00 47.59           C  
-ATOM   2404  OE1 GLU C  23      74.996  -4.898   9.995  1.00 48.35           O  
-ATOM   2405  OE2 GLU C  23      76.422  -3.934  11.380  1.00 52.71           O  
-ATOM   2406  N   TYR C  24      72.783  -0.157  11.665  1.00 26.06           N  
-ATOM   2407  CA  TYR C  24      71.318  -0.225  11.735  1.00 23.60           C  
-ATOM   2408  C   TYR C  24      70.627   1.057  11.269  1.00 24.69           C  
-ATOM   2409  O   TYR C  24      69.685   1.006  10.475  1.00 25.24           O  
-ATOM   2410  CB  TYR C  24      70.887  -0.565  13.160  1.00 27.03           C  
-ATOM   2411  CG  TYR C  24      71.396  -1.917  13.610  1.00 32.88           C  
-ATOM   2412  CD1 TYR C  24      71.228  -2.362  14.925  1.00 29.59           C  
-ATOM   2413  CD2 TYR C  24      72.061  -2.757  12.710  1.00 33.97           C  
-ATOM   2414  CE1 TYR C  24      71.712  -3.602  15.317  1.00 28.54           C  
-ATOM   2415  CE2 TYR C  24      72.546  -3.990  13.098  1.00 26.61           C  
-ATOM   2416  CZ  TYR C  24      72.370  -4.406  14.389  1.00 25.99           C  
-ATOM   2417  OH  TYR C  24      72.844  -5.645  14.728  1.00 34.78           O  
-ATOM   2418  N   GLY C  25      71.095   2.201  11.763  1.00 20.83           N  
-ATOM   2419  CA  GLY C  25      70.517   3.464  11.352  1.00 21.13           C  
-ATOM   2420  C   GLY C  25      70.479   3.569   9.841  1.00 22.18           C  
-ATOM   2421  O   GLY C  25      69.464   3.953   9.262  1.00 25.17           O  
-ATOM   2422  N   ALA C  26      71.590   3.220   9.196  1.00 21.11           N  
-ATOM   2423  CA  ALA C  26      71.673   3.268   7.743  1.00 14.80           C  
-ATOM   2424  C   ALA C  26      70.640   2.328   7.120  1.00 13.67           C  
-ATOM   2425  O   ALA C  26      70.038   2.639   6.098  1.00 18.53           O  
-ATOM   2426  CB  ALA C  26      73.068   2.882   7.299  1.00  9.41           C  
-ATOM   2427  N   GLU C  27      70.420   1.185   7.752  1.00 10.32           N  
-ATOM   2428  CA  GLU C  27      69.482   0.211   7.238  1.00 10.10           C  
-ATOM   2429  C   GLU C  27      68.024   0.621   7.381  1.00 13.63           C  
-ATOM   2430  O   GLU C  27      67.217   0.421   6.469  1.00 10.28           O  
-ATOM   2431  CB  GLU C  27      69.688  -1.127   7.941  1.00 19.44           C  
-ATOM   2432  CG  GLU C  27      69.512  -2.326   7.010  1.00 27.21           C  
-ATOM   2433  CD  GLU C  27      69.119  -3.608   7.729  1.00 23.02           C  
-ATOM   2434  OE1 GLU C  27      69.861  -4.063   8.631  1.00 20.72           O  
-ATOM   2435  OE2 GLU C  27      68.058  -4.157   7.369  1.00 15.06           O  
-ATOM   2436  N   THR C  28      67.670   1.184   8.529  1.00 15.66           N  
-ATOM   2437  CA  THR C  28      66.289   1.565   8.727  1.00 14.54           C  
-ATOM   2438  C   THR C  28      65.944   2.684   7.752  1.00  8.78           C  
-ATOM   2439  O   THR C  28      64.837   2.729   7.206  1.00  3.46           O  
-ATOM   2440  CB  THR C  28      66.013   2.032  10.181  1.00 11.20           C  
-ATOM   2441  OG1 THR C  28      66.126   3.448  10.240  1.00 19.46           O  
-ATOM   2442  CG2 THR C  28      67.009   1.440  11.147  1.00  6.27           C  
-ATOM   2443  N   LEU C  29      66.902   3.580   7.528  1.00 12.98           N  
-ATOM   2444  CA  LEU C  29      66.691   4.711   6.620  1.00 11.54           C  
-ATOM   2445  C   LEU C  29      66.444   4.238   5.221  1.00  8.73           C  
-ATOM   2446  O   LEU C  29      65.508   4.686   4.573  1.00 10.41           O  
-ATOM   2447  CB  LEU C  29      67.885   5.655   6.609  1.00 12.56           C  
-ATOM   2448  CG  LEU C  29      67.980   6.642   7.781  1.00 19.42           C  
-ATOM   2449  CD1 LEU C  29      69.177   7.555   7.569  1.00 17.16           C  
-ATOM   2450  CD2 LEU C  29      66.707   7.463   7.892  1.00 11.35           C  
-ATOM   2451  N   GLU C  30      67.282   3.314   4.767  1.00  7.12           N  
-ATOM   2452  CA  GLU C  30      67.163   2.770   3.428  1.00  8.46           C  
-ATOM   2453  C   GLU C  30      65.880   1.973   3.217  1.00  8.83           C  
-ATOM   2454  O   GLU C  30      65.343   1.925   2.115  1.00 10.73           O  
-ATOM   2455  CB  GLU C  30      68.369   1.910   3.118  1.00 12.42           C  
-ATOM   2456  CG  GLU C  30      68.581   1.688   1.638  1.00 24.57           C  
-ATOM   2457  CD  GLU C  30      69.737   0.761   1.382  1.00 29.15           C  
-ATOM   2458  OE1 GLU C  30      70.819   1.036   1.950  1.00 30.73           O  
-ATOM   2459  OE2 GLU C  30      69.561  -0.231   0.629  1.00 31.58           O  
-ATOM   2460  N   ARG C  31      65.385   1.344   4.274  1.00 10.51           N  
-ATOM   2461  CA  ARG C  31      64.156   0.583   4.180  1.00  8.04           C  
-ATOM   2462  C   ARG C  31      62.994   1.559   4.130  1.00 12.14           C  
-ATOM   2463  O   ARG C  31      61.978   1.302   3.465  1.00 13.87           O  
-ATOM   2464  CB  ARG C  31      64.026  -0.344   5.380  1.00 12.99           C  
-ATOM   2465  CG  ARG C  31      65.009  -1.488   5.347  1.00 19.80           C  
-ATOM   2466  CD  ARG C  31      64.799  -2.505   6.460  1.00 22.23           C  
-ATOM   2467  NE  ARG C  31      65.550  -3.727   6.167  1.00 22.52           N  
-ATOM   2468  CZ  ARG C  31      65.129  -4.680   5.342  1.00 18.59           C  
-ATOM   2469  NH1 ARG C  31      63.954  -4.557   4.738  1.00 20.53           N  
-ATOM   2470  NH2 ARG C  31      65.890  -5.740   5.105  1.00 10.67           N  
-ATOM   2471  N   MET C  32      63.152   2.691   4.823  1.00 10.49           N  
-ATOM   2472  CA  MET C  32      62.114   3.723   4.847  1.00 10.00           C  
-ATOM   2473  C   MET C  32      61.927   4.353   3.471  1.00  8.86           C  
-ATOM   2474  O   MET C  32      60.802   4.508   2.996  1.00  6.99           O  
-ATOM   2475  CB  MET C  32      62.443   4.824   5.863  1.00  3.36           C  
-ATOM   2476  CG  MET C  32      61.375   5.918   5.916  1.00  6.63           C  
-ATOM   2477  SD  MET C  32      61.583   7.110   7.264  1.00  9.73           S  
-ATOM   2478  CE  MET C  32      62.624   8.282   6.581  1.00  7.69           C  
-ATOM   2479  N   PHE C  33      63.035   4.709   2.829  1.00  9.54           N  
-ATOM   2480  CA  PHE C  33      62.969   5.324   1.524  1.00  6.33           C  
-ATOM   2481  C   PHE C  33      62.483   4.344   0.491  1.00 10.86           C  
-ATOM   2482  O   PHE C  33      61.850   4.736  -0.496  1.00 10.89           O  
-ATOM   2483  CB  PHE C  33      64.330   5.851   1.106  1.00  8.51           C  
-ATOM   2484  CG  PHE C  33      64.862   6.939   1.990  1.00  9.37           C  
-ATOM   2485  CD1 PHE C  33      64.044   7.988   2.401  1.00  8.21           C  
-ATOM   2486  CD2 PHE C  33      66.191   6.931   2.391  1.00  4.76           C  
-ATOM   2487  CE1 PHE C  33      64.541   9.017   3.197  1.00 11.36           C  
-ATOM   2488  CE2 PHE C  33      66.697   7.958   3.188  1.00 13.96           C  
-ATOM   2489  CZ  PHE C  33      65.869   9.007   3.592  1.00  3.64           C  
-ATOM   2490  N   THR C  34      62.757   3.066   0.731  1.00 10.40           N  
-ATOM   2491  CA  THR C  34      62.370   2.014  -0.199  1.00 14.74           C  
-ATOM   2492  C   THR C  34      60.921   1.577  -0.116  1.00 17.25           C  
-ATOM   2493  O   THR C  34      60.313   1.256  -1.138  1.00 18.81           O  
-ATOM   2494  CB  THR C  34      63.268   0.783  -0.023  1.00 16.29           C  
-ATOM   2495  OG1 THR C  34      64.623   1.144  -0.320  1.00 20.26           O  
-ATOM   2496  CG2 THR C  34      62.836  -0.330  -0.956  1.00 19.21           C  
-ATOM   2497  N   ALA C  35      60.367   1.569   1.093  1.00 18.68           N  
-ATOM   2498  CA  ALA C  35      58.982   1.150   1.288  1.00 19.82           C  
-ATOM   2499  C   ALA C  35      57.988   2.317   1.416  1.00 18.15           C  
-ATOM   2500  O   ALA C  35      56.788   2.160   1.181  1.00 19.27           O  
-ATOM   2501  CB  ALA C  35      58.906   0.252   2.502  1.00 19.43           C  
-ATOM   2502  N   TYR C  36      58.497   3.480   1.806  1.00 18.42           N  
-ATOM   2503  CA  TYR C  36      57.689   4.683   1.954  1.00 20.23           C  
-ATOM   2504  C   TYR C  36      58.420   5.779   1.187  1.00 23.27           C  
-ATOM   2505  O   TYR C  36      58.850   6.779   1.759  1.00 25.73           O  
-ATOM   2506  CB  TYR C  36      57.577   5.071   3.425  1.00 19.70           C  
-ATOM   2507  CG  TYR C  36      56.908   4.029   4.265  1.00 17.14           C  
-ATOM   2508  CD1 TYR C  36      57.636   3.255   5.149  1.00 16.81           C  
-ATOM   2509  CD2 TYR C  36      55.552   3.769   4.124  1.00 16.08           C  
-ATOM   2510  CE1 TYR C  36      57.024   2.227   5.878  1.00 23.51           C  
-ATOM   2511  CE2 TYR C  36      54.936   2.760   4.839  1.00 23.10           C  
-ATOM   2512  CZ  TYR C  36      55.674   1.985   5.719  1.00 23.26           C  
-ATOM   2513  OH  TYR C  36      55.054   0.982   6.443  1.00 27.81           O  
-ATOM   2514  N   PRO C  37      58.571   5.595  -0.132  1.00 23.97           N  
-ATOM   2515  CA  PRO C  37      59.248   6.518  -1.055  1.00 22.00           C  
-ATOM   2516  C   PRO C  37      58.908   8.014  -0.913  1.00 22.08           C  
-ATOM   2517  O   PRO C  37      59.777   8.874  -1.077  1.00 22.18           O  
-ATOM   2518  CB  PRO C  37      58.868   5.962  -2.425  1.00 20.48           C  
-ATOM   2519  CG  PRO C  37      57.534   5.281  -2.161  1.00 17.23           C  
-ATOM   2520  CD  PRO C  37      57.806   4.579  -0.881  1.00 20.57           C  
-ATOM   2521  N   GLN C  38      57.652   8.328  -0.613  1.00 17.59           N  
-ATOM   2522  CA  GLN C  38      57.255   9.712  -0.466  1.00 11.90           C  
-ATOM   2523  C   GLN C  38      58.035  10.418   0.639  1.00  9.80           C  
-ATOM   2524  O   GLN C  38      58.068  11.637   0.685  1.00  6.74           O  
-ATOM   2525  CB  GLN C  38      55.758   9.803  -0.185  1.00 12.73           C  
-ATOM   2526  CG  GLN C  38      55.315   9.198   1.139  1.00 22.97           C  
-ATOM   2527  CD  GLN C  38      55.010   7.714   1.071  1.00 26.15           C  
-ATOM   2528  OE1 GLN C  38      54.475   7.147   2.015  1.00 33.40           O  
-ATOM   2529  NE2 GLN C  38      55.344   7.084  -0.038  1.00 31.12           N  
-ATOM   2530  N   THR C  39      58.669   9.660   1.524  1.00  9.48           N  
-ATOM   2531  CA  THR C  39      59.425  10.266   2.611  1.00  9.39           C  
-ATOM   2532  C   THR C  39      60.693  10.894   2.069  1.00  9.22           C  
-ATOM   2533  O   THR C  39      61.356  11.670   2.760  1.00  8.87           O  
-ATOM   2534  CB  THR C  39      59.810   9.229   3.721  1.00 12.83           C  
-ATOM   2535  OG1 THR C  39      60.588   8.177   3.148  1.00 13.74           O  
-ATOM   2536  CG2 THR C  39      58.575   8.623   4.357  1.00 11.95           C  
-ATOM   2537  N   LYS C  40      61.035  10.552   0.829  1.00 13.14           N  
-ATOM   2538  CA  LYS C  40      62.231  11.092   0.174  1.00 13.04           C  
-ATOM   2539  C   LYS C  40      62.141  12.617   0.129  1.00 12.05           C  
-ATOM   2540  O   LYS C  40      63.122  13.320   0.334  1.00 10.94           O  
-ATOM   2541  CB  LYS C  40      62.335  10.544  -1.244  1.00 17.97           C  
-ATOM   2542  CG  LYS C  40      62.783   9.100  -1.352  1.00 14.59           C  
-ATOM   2543  CD  LYS C  40      62.337   8.533  -2.692  1.00 22.11           C  
-ATOM   2544  CE  LYS C  40      62.973   7.193  -2.983  1.00 26.34           C  
-ATOM   2545  NZ  LYS C  40      64.443   7.347  -3.077  1.00 27.52           N  
-ATOM   2546  N   THR C  41      60.938  13.101  -0.152  1.00  9.97           N  
-ATOM   2547  CA  THR C  41      60.612  14.513  -0.214  1.00  8.97           C  
-ATOM   2548  C   THR C  41      61.344  15.397   0.796  1.00 11.46           C  
-ATOM   2549  O   THR C  41      61.569  16.592   0.559  1.00 15.00           O  
-ATOM   2550  CB  THR C  41      59.117  14.673  -0.014  1.00  8.76           C  
-ATOM   2551  OG1 THR C  41      58.471  14.483  -1.273  1.00 22.11           O  
-ATOM   2552  CG2 THR C  41      58.773  16.034   0.575  1.00 13.99           C  
-ATOM   2553  N   TYR C  42      61.717  14.819   1.925  1.00  6.71           N  
-ATOM   2554  CA  TYR C  42      62.389  15.585   2.951  1.00  5.33           C  
-ATOM   2555  C   TYR C  42      63.899  15.618   2.798  1.00  3.51           C  
-ATOM   2556  O   TYR C  42      64.571  16.322   3.524  1.00  8.58           O  
-ATOM   2557  CB  TYR C  42      62.012  15.039   4.339  1.00  7.96           C  
-ATOM   2558  CG  TYR C  42      60.587  15.327   4.781  1.00 11.66           C  
-ATOM   2559  CD1 TYR C  42      60.290  16.433   5.606  1.00  7.78           C  
-ATOM   2560  CD2 TYR C  42      59.536  14.473   4.410  1.00  7.45           C  
-ATOM   2561  CE1 TYR C  42      58.982  16.672   6.052  1.00  3.36           C  
-ATOM   2562  CE2 TYR C  42      58.236  14.703   4.843  1.00  4.46           C  
-ATOM   2563  CZ  TYR C  42      57.969  15.799   5.662  1.00  5.96           C  
-ATOM   2564  OH  TYR C  42      56.685  16.003   6.070  1.00  7.05           O  
-ATOM   2565  N   PHE C  43      64.453  14.854   1.876  1.00  8.74           N  
-ATOM   2566  CA  PHE C  43      65.906  14.871   1.705  1.00 17.01           C  
-ATOM   2567  C   PHE C  43      66.334  15.111   0.250  1.00 24.32           C  
-ATOM   2568  O   PHE C  43      67.056  14.302  -0.333  1.00 28.53           O  
-ATOM   2569  CB  PHE C  43      66.522  13.555   2.190  1.00 13.74           C  
-ATOM   2570  CG  PHE C  43      66.127  13.172   3.581  1.00 11.37           C  
-ATOM   2571  CD1 PHE C  43      64.906  12.545   3.831  1.00 10.96           C  
-ATOM   2572  CD2 PHE C  43      66.974  13.441   4.653  1.00 10.40           C  
-ATOM   2573  CE1 PHE C  43      64.542  12.195   5.126  1.00  4.03           C  
-ATOM   2574  CE2 PHE C  43      66.612  13.093   5.956  1.00  3.36           C  
-ATOM   2575  CZ  PHE C  43      65.399  12.471   6.191  1.00  3.36           C  
-ATOM   2576  N   PRO C  44      65.914  16.236  -0.351  1.00 25.83           N  
-ATOM   2577  CA  PRO C  44      66.318  16.463  -1.746  1.00 24.41           C  
-ATOM   2578  C   PRO C  44      67.830  16.513  -1.845  1.00 20.72           C  
-ATOM   2579  O   PRO C  44      68.423  16.100  -2.830  1.00 22.98           O  
-ATOM   2580  CB  PRO C  44      65.688  17.819  -2.079  1.00 27.45           C  
-ATOM   2581  CG  PRO C  44      64.569  17.969  -1.035  1.00 28.31           C  
-ATOM   2582  CD  PRO C  44      65.211  17.411   0.194  1.00 23.85           C  
-ATOM   2583  N   HIS C  45      68.445  17.010  -0.788  1.00 18.47           N  
-ATOM   2584  CA  HIS C  45      69.873  17.172  -0.748  1.00 17.69           C  
-ATOM   2585  C   HIS C  45      70.609  15.935  -0.318  1.00 23.71           C  
-ATOM   2586  O   HIS C  45      71.763  16.013   0.086  1.00 29.95           O  
-ATOM   2587  CB  HIS C  45      70.234  18.323   0.186  1.00 20.58           C  
-ATOM   2588  CG  HIS C  45      69.805  18.105   1.604  1.00 31.08           C  
-ATOM   2589  ND1 HIS C  45      68.507  17.781   1.948  1.00 31.99           N  
-ATOM   2590  CD2 HIS C  45      70.501  18.163   2.766  1.00 28.47           C  
-ATOM   2591  CE1 HIS C  45      68.425  17.649   3.259  1.00 33.14           C  
-ATOM   2592  NE2 HIS C  45      69.620  17.875   3.779  1.00 32.45           N  
-ATOM   2593  N   PHE C  46      69.972  14.781  -0.399  1.00 25.58           N  
-ATOM   2594  CA  PHE C  46      70.672  13.577   0.011  1.00 25.70           C  
-ATOM   2595  C   PHE C  46      70.997  12.614  -1.104  1.00 30.25           C  
-ATOM   2596  O   PHE C  46      70.245  12.468  -2.077  1.00 32.47           O  
-ATOM   2597  CB  PHE C  46      69.876  12.817   1.069  1.00 30.39           C  
-ATOM   2598  CG  PHE C  46      70.273  13.134   2.478  1.00 29.45           C  
-ATOM   2599  CD1 PHE C  46      70.166  12.170   3.468  1.00 26.84           C  
-ATOM   2600  CD2 PHE C  46      70.725  14.402   2.824  1.00 31.24           C  
-ATOM   2601  CE1 PHE C  46      70.506  12.465   4.789  1.00 31.14           C  
-ATOM   2602  CE2 PHE C  46      71.064  14.708   4.137  1.00 30.44           C  
-ATOM   2603  CZ  PHE C  46      70.955  13.736   5.123  1.00 28.08           C  
-ATOM   2604  N   ASP C  47      72.133  11.949  -0.921  1.00 34.47           N  
-ATOM   2605  CA  ASP C  47      72.657  10.925  -1.823  1.00 35.04           C  
-ATOM   2606  C   ASP C  47      71.860   9.691  -1.389  1.00 33.55           C  
-ATOM   2607  O   ASP C  47      72.182   9.068  -0.381  1.00 30.15           O  
-ATOM   2608  CB  ASP C  47      74.165  10.753  -1.537  1.00 38.05           C  
-ATOM   2609  CG  ASP C  47      74.866   9.809  -2.508  1.00 40.07           C  
-ATOM   2610  OD1 ASP C  47      74.836   8.577  -2.314  1.00 42.35           O  
-ATOM   2611  OD2 ASP C  47      75.461  10.307  -3.475  1.00 44.44           O  
-ATOM   2612  N   LEU C  48      70.811   9.349  -2.129  1.00 33.01           N  
-ATOM   2613  CA  LEU C  48      69.979   8.210  -1.745  1.00 38.17           C  
-ATOM   2614  C   LEU C  48      70.358   6.820  -2.278  1.00 42.43           C  
-ATOM   2615  O   LEU C  48      69.708   5.822  -1.942  1.00 41.34           O  
-ATOM   2616  CB  LEU C  48      68.510   8.526  -2.068  1.00 35.41           C  
-ATOM   2617  CG  LEU C  48      67.663   9.052  -0.898  1.00 28.90           C  
-ATOM   2618  CD1 LEU C  48      68.470  10.003  -0.033  1.00 22.06           C  
-ATOM   2619  CD2 LEU C  48      66.418   9.730  -1.436  1.00 27.89           C  
-ATOM   2620  N   GLN C  49      71.408   6.748  -3.093  1.00 45.99           N  
-ATOM   2621  CA  GLN C  49      71.865   5.469  -3.635  1.00 46.63           C  
-ATOM   2622  C   GLN C  49      72.246   4.566  -2.466  1.00 46.02           C  
-ATOM   2623  O   GLN C  49      72.978   4.980  -1.564  1.00 42.83           O  
-ATOM   2624  CB  GLN C  49      73.077   5.664  -4.568  1.00 49.58           C  
-ATOM   2625  CG  GLN C  49      73.816   7.001  -4.411  1.00 50.78           C  
-ATOM   2626  CD  GLN C  49      73.035   8.177  -4.988  1.00 55.48           C  
-ATOM   2627  OE1 GLN C  49      72.904   9.231  -4.354  1.00 55.66           O  
-ATOM   2628  NE2 GLN C  49      72.516   8.004  -6.203  1.00 59.59           N  
-ATOM   2629  N   HIS C  50      71.729   3.339  -2.486  1.00 45.77           N  
-ATOM   2630  CA  HIS C  50      71.991   2.359  -1.441  1.00 41.28           C  
-ATOM   2631  C   HIS C  50      73.409   2.416  -0.874  1.00 39.13           C  
-ATOM   2632  O   HIS C  50      74.383   2.421  -1.611  1.00 36.45           O  
-ATOM   2633  CB  HIS C  50      71.709   0.953  -1.972  1.00 47.04           C  
-ATOM   2634  CG  HIS C  50      72.438  -0.130  -1.232  1.00 58.22           C  
-ATOM   2635  ND1 HIS C  50      72.528  -0.161   0.144  1.00 63.56           N  
-ATOM   2636  CD2 HIS C  50      73.106  -1.224  -1.674  1.00 59.69           C  
-ATOM   2637  CE1 HIS C  50      73.220  -1.224   0.518  1.00 61.11           C  
-ATOM   2638  NE2 HIS C  50      73.582  -1.886  -0.566  1.00 61.82           N  
-ATOM   2639  N   GLY C  51      73.510   2.460   0.450  1.00 41.26           N  
-ATOM   2640  CA  GLY C  51      74.808   2.495   1.105  1.00 39.07           C  
-ATOM   2641  C   GLY C  51      75.595   3.789   0.989  1.00 37.82           C  
-ATOM   2642  O   GLY C  51      76.814   3.778   1.149  1.00 35.14           O  
-ATOM   2643  N   SER C  52      74.909   4.900   0.727  1.00 38.67           N  
-ATOM   2644  CA  SER C  52      75.571   6.196   0.591  1.00 38.59           C  
-ATOM   2645  C   SER C  52      76.186   6.645   1.908  1.00 36.20           C  
-ATOM   2646  O   SER C  52      75.737   6.248   2.981  1.00 34.35           O  
-ATOM   2647  CB  SER C  52      74.581   7.257   0.121  1.00 41.45           C  
-ATOM   2648  OG  SER C  52      73.862   7.794   1.212  1.00 48.26           O  
-ATOM   2649  N   ALA C  53      77.212   7.483   1.819  1.00 36.59           N  
-ATOM   2650  CA  ALA C  53      77.886   7.984   3.010  1.00 36.70           C  
-ATOM   2651  C   ALA C  53      76.927   8.851   3.808  1.00 38.97           C  
-ATOM   2652  O   ALA C  53      76.939   8.844   5.039  1.00 41.41           O  
-ATOM   2653  CB  ALA C  53      79.107   8.794   2.620  1.00 36.24           C  
-ATOM   2654  N   GLN C  54      76.099   9.608   3.099  1.00 37.59           N  
-ATOM   2655  CA  GLN C  54      75.136  10.467   3.755  1.00 33.24           C  
-ATOM   2656  C   GLN C  54      74.179   9.636   4.603  1.00 31.54           C  
-ATOM   2657  O   GLN C  54      74.027   9.866   5.800  1.00 34.61           O  
-ATOM   2658  CB  GLN C  54      74.366  11.278   2.711  1.00 32.01           C  
-ATOM   2659  CG  GLN C  54      75.062  12.558   2.307  1.00 31.66           C  
-ATOM   2660  CD  GLN C  54      74.220  13.396   1.384  1.00 37.94           C  
-ATOM   2661  OE1 GLN C  54      74.097  13.100   0.195  1.00 35.55           O  
-ATOM   2662  NE2 GLN C  54      73.614  14.447   1.932  1.00 40.16           N  
-ATOM   2663  N   ILE C  55      73.540   8.660   3.979  1.00 26.25           N  
-ATOM   2664  CA  ILE C  55      72.603   7.806   4.682  1.00 22.75           C  
-ATOM   2665  C   ILE C  55      73.252   7.158   5.903  1.00 25.89           C  
-ATOM   2666  O   ILE C  55      72.631   7.050   6.958  1.00 23.67           O  
-ATOM   2667  CB  ILE C  55      72.056   6.719   3.737  1.00 16.71           C  
-ATOM   2668  CG1 ILE C  55      70.991   7.327   2.829  1.00 14.30           C  
-ATOM   2669  CG2 ILE C  55      71.488   5.574   4.525  1.00 13.04           C  
-ATOM   2670  CD1 ILE C  55      70.536   6.397   1.735  1.00 17.28           C  
-ATOM   2671  N   LYS C  56      74.505   6.731   5.760  1.00 29.24           N  
-ATOM   2672  CA  LYS C  56      75.216   6.094   6.867  1.00 29.76           C  
-ATOM   2673  C   LYS C  56      75.406   7.090   7.995  1.00 28.87           C  
-ATOM   2674  O   LYS C  56      75.070   6.811   9.155  1.00 28.91           O  
-ATOM   2675  CB  LYS C  56      76.596   5.578   6.426  1.00 26.88           C  
-ATOM   2676  CG  LYS C  56      76.546   4.469   5.404  1.00 33.22           C  
-ATOM   2677  CD  LYS C  56      77.927   3.893   5.102  1.00 38.37           C  
-ATOM   2678  CE  LYS C  56      77.823   2.794   4.041  1.00 43.32           C  
-ATOM   2679  NZ  LYS C  56      79.122   2.180   3.664  1.00 46.58           N  
-ATOM   2680  N   ALA C  57      75.945   8.253   7.642  1.00 25.36           N  
-ATOM   2681  CA  ALA C  57      76.215   9.303   8.616  1.00 23.44           C  
-ATOM   2682  C   ALA C  57      74.935   9.704   9.350  1.00 25.90           C  
-ATOM   2683  O   ALA C  57      74.910   9.802  10.583  1.00 21.17           O  
-ATOM   2684  CB  ALA C  57      76.828  10.496   7.920  1.00 21.37           C  
-ATOM   2685  N   HIS C  58      73.869   9.915   8.588  1.00 24.18           N  
-ATOM   2686  CA  HIS C  58      72.607  10.294   9.178  1.00 22.56           C  
-ATOM   2687  C   HIS C  58      72.049   9.137   9.989  1.00 19.98           C  
-ATOM   2688  O   HIS C  58      71.582   9.327  11.112  1.00 21.38           O  
-ATOM   2689  CB  HIS C  58      71.615  10.705   8.093  1.00 26.62           C  
-ATOM   2690  CG  HIS C  58      70.477  11.523   8.615  1.00 24.43           C  
-ATOM   2691  ND1 HIS C  58      70.671  12.680   9.335  1.00 23.81           N  
-ATOM   2692  CD2 HIS C  58      69.139  11.330   8.564  1.00 23.38           C  
-ATOM   2693  CE1 HIS C  58      69.501  13.163   9.709  1.00 24.40           C  
-ATOM   2694  NE2 HIS C  58      68.555  12.362   9.255  1.00 22.69           N  
-ATOM   2695  N   GLY C  59      72.097   7.941   9.415  1.00 17.65           N  
-ATOM   2696  CA  GLY C  59      71.598   6.779  10.117  1.00 17.19           C  
-ATOM   2697  C   GLY C  59      72.193   6.778  11.511  1.00 20.02           C  
-ATOM   2698  O   GLY C  59      71.486   6.771  12.511  1.00 19.05           O  
-ATOM   2699  N   LYS C  60      73.513   6.806  11.574  1.00 22.04           N  
-ATOM   2700  CA  LYS C  60      74.216   6.806  12.842  1.00 20.33           C  
-ATOM   2701  C   LYS C  60      73.677   7.890  13.777  1.00 18.99           C  
-ATOM   2702  O   LYS C  60      73.467   7.636  14.961  1.00 23.57           O  
-ATOM   2703  CB  LYS C  60      75.715   7.012  12.581  1.00 23.67           C  
-ATOM   2704  CG  LYS C  60      76.613   6.926  13.797  1.00 29.60           C  
-ATOM   2705  CD  LYS C  60      78.073   7.122  13.405  1.00 37.50           C  
-ATOM   2706  CE  LYS C  60      78.983   7.182  14.634  1.00 46.35           C  
-ATOM   2707  NZ  LYS C  60      80.409   7.510  14.293  1.00 49.09           N  
-ATOM   2708  N   LYS C  61      73.434   9.086  13.247  1.00 14.19           N  
-ATOM   2709  CA  LYS C  61      72.943  10.204  14.056  1.00 13.59           C  
-ATOM   2710  C   LYS C  61      71.568   9.928  14.642  1.00 11.88           C  
-ATOM   2711  O   LYS C  61      71.302  10.210  15.806  1.00  6.11           O  
-ATOM   2712  CB  LYS C  61      72.876  11.473  13.206  1.00 19.78           C  
-ATOM   2713  CG  LYS C  61      74.213  11.916  12.682  1.00 30.37           C  
-ATOM   2714  CD  LYS C  61      74.974  12.718  13.713  1.00 31.74           C  
-ATOM   2715  CE  LYS C  61      74.892  14.181  13.364  1.00 35.33           C  
-ATOM   2716  NZ  LYS C  61      75.285  14.388  11.929  1.00 32.99           N  
-ATOM   2717  N   VAL C  62      70.695   9.390  13.807  1.00  8.40           N  
-ATOM   2718  CA  VAL C  62      69.347   9.070  14.215  1.00 10.84           C  
-ATOM   2719  C   VAL C  62      69.290   8.163  15.434  1.00 10.15           C  
-ATOM   2720  O   VAL C  62      68.730   8.517  16.459  1.00  7.99           O  
-ATOM   2721  CB  VAL C  62      68.604   8.401  13.068  1.00 10.93           C  
-ATOM   2722  CG1 VAL C  62      67.275   7.852  13.548  1.00 12.34           C  
-ATOM   2723  CG2 VAL C  62      68.410   9.403  11.963  1.00  6.27           C  
-ATOM   2724  N   VAL C  63      69.856   6.977  15.309  1.00 14.75           N  
-ATOM   2725  CA  VAL C  63      69.848   6.038  16.411  1.00 19.44           C  
-ATOM   2726  C   VAL C  63      70.655   6.584  17.598  1.00 22.05           C  
-ATOM   2727  O   VAL C  63      70.328   6.320  18.769  1.00 20.49           O  
-ATOM   2728  CB  VAL C  63      70.372   4.656  15.938  1.00 15.80           C  
-ATOM   2729  CG1 VAL C  63      71.282   4.844  14.768  1.00 23.15           C  
-ATOM   2730  CG2 VAL C  63      71.089   3.929  17.064  1.00 19.99           C  
-ATOM   2731  N   ALA C  64      71.690   7.366  17.298  1.00 18.90           N  
-ATOM   2732  CA  ALA C  64      72.511   7.951  18.356  1.00 16.05           C  
-ATOM   2733  C   ALA C  64      71.615   8.757  19.291  1.00 12.44           C  
-ATOM   2734  O   ALA C  64      71.798   8.755  20.508  1.00 16.70           O  
-ATOM   2735  CB  ALA C  64      73.586   8.848  17.750  1.00  6.59           C  
-ATOM   2736  N   ALA C  65      70.643   9.437  18.691  1.00  7.08           N  
-ATOM   2737  CA  ALA C  65      69.680  10.266  19.399  1.00  6.45           C  
-ATOM   2738  C   ALA C  65      68.641   9.439  20.167  1.00 12.84           C  
-ATOM   2739  O   ALA C  65      68.244   9.811  21.277  1.00  8.66           O  
-ATOM   2740  CB  ALA C  65      68.981  11.172  18.417  1.00  4.95           C  
-ATOM   2741  N   LEU C  66      68.192   8.335  19.565  1.00 14.25           N  
-ATOM   2742  CA  LEU C  66      67.219   7.456  20.199  1.00 15.22           C  
-ATOM   2743  C   LEU C  66      67.878   6.901  21.450  1.00 19.26           C  
-ATOM   2744  O   LEU C  66      67.237   6.758  22.514  1.00 17.17           O  
-ATOM   2745  CB  LEU C  66      66.844   6.307  19.259  1.00 14.78           C  
-ATOM   2746  CG  LEU C  66      66.044   6.677  18.007  1.00 16.00           C  
-ATOM   2747  CD1 LEU C  66      66.075   5.528  17.030  1.00 11.71           C  
-ATOM   2748  CD2 LEU C  66      64.613   7.010  18.384  1.00 15.86           C  
-ATOM   2749  N   VAL C  67      69.167   6.595  21.307  1.00 18.89           N  
-ATOM   2750  CA  VAL C  67      69.957   6.062  22.406  1.00 21.51           C  
-ATOM   2751  C   VAL C  67      70.009   7.132  23.475  1.00 24.08           C  
-ATOM   2752  O   VAL C  67      69.701   6.875  24.647  1.00 24.81           O  
-ATOM   2753  CB  VAL C  67      71.397   5.712  21.961  1.00 21.13           C  
-ATOM   2754  CG1 VAL C  67      72.258   5.370  23.162  1.00 11.48           C  
-ATOM   2755  CG2 VAL C  67      71.362   4.544  20.992  1.00 22.50           C  
-ATOM   2756  N   GLU C  68      70.384   8.338  23.062  1.00 24.67           N  
-ATOM   2757  CA  GLU C  68      70.466   9.457  23.991  1.00 32.13           C  
-ATOM   2758  C   GLU C  68      69.173   9.569  24.792  1.00 29.01           C  
-ATOM   2759  O   GLU C  68      69.201   9.823  25.992  1.00 28.40           O  
-ATOM   2760  CB  GLU C  68      70.720  10.769  23.237  1.00 38.58           C  
-ATOM   2761  CG  GLU C  68      71.230  11.883  24.142  1.00 46.91           C  
-ATOM   2762  CD  GLU C  68      72.514  11.487  24.862  1.00 53.85           C  
-ATOM   2763  OE1 GLU C  68      72.745  12.005  25.975  1.00 55.30           O  
-ATOM   2764  OE2 GLU C  68      73.291  10.663  24.311  1.00 53.88           O  
-ATOM   2765  N   ALA C  69      68.046   9.363  24.118  1.00 26.09           N  
-ATOM   2766  CA  ALA C  69      66.750   9.441  24.767  1.00 26.36           C  
-ATOM   2767  C   ALA C  69      66.588   8.336  25.796  1.00 26.30           C  
-ATOM   2768  O   ALA C  69      65.939   8.533  26.817  1.00 23.94           O  
-ATOM   2769  CB  ALA C  69      65.633   9.360  23.730  1.00 28.39           C  
-ATOM   2770  N   VAL C  70      67.166   7.169  25.533  1.00 26.02           N  
-ATOM   2771  CA  VAL C  70      67.044   6.080  26.490  1.00 29.55           C  
-ATOM   2772  C   VAL C  70      67.784   6.417  27.787  1.00 30.29           C  
-ATOM   2773  O   VAL C  70      67.302   6.121  28.886  1.00 30.78           O  
-ATOM   2774  CB  VAL C  70      67.581   4.757  25.920  1.00 29.07           C  
-ATOM   2775  CG1 VAL C  70      67.388   3.633  26.940  1.00 24.98           C  
-ATOM   2776  CG2 VAL C  70      66.853   4.427  24.630  1.00 28.67           C  
-ATOM   2777  N   ASN C  71      68.947   7.046  27.668  1.00 31.17           N  
-ATOM   2778  CA  ASN C  71      69.704   7.413  28.853  1.00 34.74           C  
-ATOM   2779  C   ASN C  71      68.895   8.376  29.720  1.00 37.31           C  
-ATOM   2780  O   ASN C  71      69.003   8.371  30.949  1.00 42.93           O  
-ATOM   2781  CB  ASN C  71      71.033   8.044  28.458  1.00 35.02           C  
-ATOM   2782  CG  ASN C  71      71.856   7.136  27.571  1.00 41.04           C  
-ATOM   2783  OD1 ASN C  71      71.869   5.918  27.751  1.00 40.18           O  
-ATOM   2784  ND2 ASN C  71      72.562   7.726  26.613  1.00 48.73           N  
-ATOM   2785  N   HIS C  72      68.071   9.190  29.076  1.00 35.88           N  
-ATOM   2786  CA  HIS C  72      67.243  10.149  29.789  1.00 37.18           C  
-ATOM   2787  C   HIS C  72      65.786   9.781  29.570  1.00 37.18           C  
-ATOM   2788  O   HIS C  72      64.928  10.657  29.411  1.00 36.30           O  
-ATOM   2789  CB  HIS C  72      67.514  11.559  29.270  1.00 39.05           C  
-ATOM   2790  CG  HIS C  72      68.963  11.924  29.273  1.00 46.55           C  
-ATOM   2791  ND1 HIS C  72      69.918  11.169  28.627  1.00 52.68           N  
-ATOM   2792  CD2 HIS C  72      69.623  12.958  29.844  1.00 49.20           C  
-ATOM   2793  CE1 HIS C  72      71.105  11.724  28.798  1.00 53.38           C  
-ATOM   2794  NE2 HIS C  72      70.953  12.811  29.533  1.00 52.79           N  
-ATOM   2795  N   ILE C  73      65.515   8.478  29.568  1.00 34.20           N  
-ATOM   2796  CA  ILE C  73      64.164   7.966  29.351  1.00 30.78           C  
-ATOM   2797  C   ILE C  73      63.156   8.505  30.353  1.00 31.95           C  
-ATOM   2798  O   ILE C  73      61.992   8.128  30.325  1.00 32.33           O  
-ATOM   2799  CB  ILE C  73      64.135   6.431  29.419  1.00 28.00           C  
-ATOM   2800  CG1 ILE C  73      62.905   5.902  28.694  1.00 24.32           C  
-ATOM   2801  CG2 ILE C  73      64.104   5.972  30.868  1.00 26.39           C  
-ATOM   2802  CD1 ILE C  73      62.911   4.399  28.517  1.00 26.57           C  
-ATOM   2803  N   ASP C  74      63.602   9.385  31.241  1.00 37.04           N  
-ATOM   2804  CA  ASP C  74      62.711   9.956  32.244  1.00 42.42           C  
-ATOM   2805  C   ASP C  74      62.286  11.374  31.849  1.00 44.03           C  
-ATOM   2806  O   ASP C  74      61.325  11.930  32.386  1.00 43.29           O  
-ATOM   2807  CB  ASP C  74      63.403   9.972  33.616  1.00 45.46           C  
-ATOM   2808  CG  ASP C  74      64.018   8.625  33.980  1.00 47.05           C  
-ATOM   2809  OD1 ASP C  74      65.199   8.400  33.627  1.00 46.54           O  
-ATOM   2810  OD2 ASP C  74      63.315   7.792  34.604  1.00 41.95           O  
-ATOM   2811  N   ASP C  75      63.006  11.949  30.892  1.00 45.45           N  
-ATOM   2812  CA  ASP C  75      62.718  13.296  30.418  1.00 42.80           C  
-ATOM   2813  C   ASP C  75      63.019  13.381  28.921  1.00 42.43           C  
-ATOM   2814  O   ASP C  75      63.859  14.171  28.482  1.00 42.46           O  
-ATOM   2815  CB  ASP C  75      63.580  14.302  31.181  1.00 43.78           C  
-ATOM   2816  CG  ASP C  75      63.119  15.724  30.990  1.00 41.65           C  
-ATOM   2817  OD1 ASP C  75      63.802  16.640  31.493  1.00 40.16           O  
-ATOM   2818  OD2 ASP C  75      62.071  15.922  30.341  1.00 42.02           O  
-ATOM   2819  N   ILE C  76      62.327  12.551  28.147  1.00 40.10           N  
-ATOM   2820  CA  ILE C  76      62.499  12.496  26.695  1.00 34.25           C  
-ATOM   2821  C   ILE C  76      62.364  13.879  26.070  1.00 34.12           C  
-ATOM   2822  O   ILE C  76      63.111  14.238  25.154  1.00 31.73           O  
-ATOM   2823  CB  ILE C  76      61.452  11.546  26.069  1.00 29.55           C  
-ATOM   2824  CG1 ILE C  76      61.601  10.156  26.679  1.00 26.50           C  
-ATOM   2825  CG2 ILE C  76      61.622  11.463  24.566  1.00 26.83           C  
-ATOM   2826  CD1 ILE C  76      60.627   9.149  26.110  1.00 19.82           C  
-ATOM   2827  N   ALA C  77      61.401  14.650  26.568  1.00 36.93           N  
-ATOM   2828  CA  ALA C  77      61.169  16.001  26.068  1.00 37.92           C  
-ATOM   2829  C   ALA C  77      62.445  16.826  26.234  1.00 38.18           C  
-ATOM   2830  O   ALA C  77      63.007  17.321  25.258  1.00 40.71           O  
-ATOM   2831  CB  ALA C  77      60.020  16.656  26.827  1.00 34.93           C  
-ATOM   2832  N   GLY C  78      62.904  16.964  27.474  1.00 33.60           N  
-ATOM   2833  CA  GLY C  78      64.103  17.731  27.722  1.00 31.87           C  
-ATOM   2834  C   GLY C  78      65.232  17.237  26.844  1.00 35.03           C  
-ATOM   2835  O   GLY C  78      65.908  18.009  26.160  1.00 37.28           O  
-ATOM   2836  N   ALA C  79      65.425  15.928  26.856  1.00 34.51           N  
-ATOM   2837  CA  ALA C  79      66.478  15.301  26.080  1.00 35.11           C  
-ATOM   2838  C   ALA C  79      66.428  15.639  24.597  1.00 35.10           C  
-ATOM   2839  O   ALA C  79      67.465  15.740  23.951  1.00 35.85           O  
-ATOM   2840  CB  ALA C  79      66.426  13.780  26.268  1.00 35.71           C  
-ATOM   2841  N   LEU C  80      65.235  15.826  24.050  1.00 34.56           N  
-ATOM   2842  CA  LEU C  80      65.125  16.111  22.620  1.00 33.82           C  
-ATOM   2843  C   LEU C  80      64.474  17.448  22.279  1.00 31.04           C  
-ATOM   2844  O   LEU C  80      64.049  17.667  21.151  1.00 32.26           O  
-ATOM   2845  CB  LEU C  80      64.353  14.972  21.942  1.00 30.98           C  
-ATOM   2846  CG  LEU C  80      64.968  13.597  22.207  1.00 29.55           C  
-ATOM   2847  CD1 LEU C  80      63.910  12.650  22.715  1.00 30.47           C  
-ATOM   2848  CD2 LEU C  80      65.611  13.071  20.940  1.00 25.68           C  
-ATOM   2849  N   SER C  81      64.395  18.344  23.250  1.00 28.49           N  
-ATOM   2850  CA  SER C  81      63.777  19.632  23.010  1.00 28.25           C  
-ATOM   2851  C   SER C  81      64.339  20.318  21.763  1.00 27.54           C  
-ATOM   2852  O   SER C  81      63.597  20.868  20.958  1.00 28.46           O  
-ATOM   2853  CB  SER C  81      63.967  20.523  24.234  1.00 29.16           C  
-ATOM   2854  OG  SER C  81      65.290  20.402  24.716  1.00 31.98           O  
-ATOM   2855  N   LYS C  82      65.652  20.278  21.605  1.00 25.53           N  
-ATOM   2856  CA  LYS C  82      66.303  20.906  20.467  1.00 26.39           C  
-ATOM   2857  C   LYS C  82      65.883  20.273  19.139  1.00 25.67           C  
-ATOM   2858  O   LYS C  82      65.819  20.946  18.113  1.00 27.91           O  
-ATOM   2859  CB  LYS C  82      67.822  20.803  20.634  1.00 33.75           C  
-ATOM   2860  CG  LYS C  82      68.626  21.943  20.020  1.00 41.59           C  
-ATOM   2861  CD  LYS C  82      68.475  22.008  18.501  1.00 47.86           C  
-ATOM   2862  CE  LYS C  82      68.015  23.395  18.037  1.00 48.94           C  
-ATOM   2863  NZ  LYS C  82      66.682  23.787  18.606  1.00 50.64           N  
-ATOM   2864  N   LEU C  83      65.595  18.979  19.150  1.00 23.37           N  
-ATOM   2865  CA  LEU C  83      65.190  18.296  17.929  1.00 22.24           C  
-ATOM   2866  C   LEU C  83      63.713  18.456  17.585  1.00 23.23           C  
-ATOM   2867  O   LEU C  83      63.328  18.307  16.427  1.00 21.56           O  
-ATOM   2868  CB  LEU C  83      65.532  16.814  18.018  1.00 27.12           C  
-ATOM   2869  CG  LEU C  83      67.018  16.464  17.983  1.00 33.20           C  
-ATOM   2870  CD1 LEU C  83      67.143  14.997  18.327  1.00 31.70           C  
-ATOM   2871  CD2 LEU C  83      67.642  16.772  16.600  1.00 24.45           C  
-ATOM   2872  N   SER C  84      62.879  18.737  18.582  1.00 27.96           N  
-ATOM   2873  CA  SER C  84      61.451  18.932  18.320  1.00 27.38           C  
-ATOM   2874  C   SER C  84      61.281  20.301  17.652  1.00 23.94           C  
-ATOM   2875  O   SER C  84      60.333  20.525  16.905  1.00 16.39           O  
-ATOM   2876  CB  SER C  84      60.623  18.841  19.617  1.00 21.85           C  
-ATOM   2877  OG  SER C  84      61.093  19.733  20.603  1.00 20.78           O  
-ATOM   2878  N   ASP C  85      62.214  21.209  17.923  1.00 23.78           N  
-ATOM   2879  CA  ASP C  85      62.175  22.525  17.314  1.00 28.69           C  
-ATOM   2880  C   ASP C  85      62.403  22.266  15.844  1.00 29.80           C  
-ATOM   2881  O   ASP C  85      61.607  22.641  14.982  1.00 33.16           O  
-ATOM   2882  CB  ASP C  85      63.318  23.401  17.815  1.00 34.02           C  
-ATOM   2883  CG  ASP C  85      62.922  24.293  18.974  1.00 45.17           C  
-ATOM   2884  OD1 ASP C  85      63.696  25.226  19.267  1.00 52.41           O  
-ATOM   2885  OD2 ASP C  85      61.861  24.074  19.601  1.00 50.48           O  
-ATOM   2886  N   LEU C  86      63.519  21.605  15.579  1.00 26.63           N  
-ATOM   2887  CA  LEU C  86      63.931  21.286  14.234  1.00 22.08           C  
-ATOM   2888  C   LEU C  86      62.857  20.572  13.410  1.00 21.07           C  
-ATOM   2889  O   LEU C  86      62.514  21.007  12.312  1.00 18.62           O  
-ATOM   2890  CB  LEU C  86      65.187  20.431  14.309  1.00 25.03           C  
-ATOM   2891  CG  LEU C  86      66.194  20.477  13.162  1.00 26.64           C  
-ATOM   2892  CD1 LEU C  86      67.122  19.307  13.335  1.00 28.11           C  
-ATOM   2893  CD2 LEU C  86      65.520  20.390  11.813  1.00 28.92           C  
-ATOM   2894  N   HIS C  87      62.322  19.479  13.938  1.00 19.95           N  
-ATOM   2895  CA  HIS C  87      61.332  18.706  13.198  1.00 16.98           C  
-ATOM   2896  C   HIS C  87      59.940  19.300  13.163  1.00 13.02           C  
-ATOM   2897  O   HIS C  87      59.173  19.005  12.249  1.00 16.99           O  
-ATOM   2898  CB  HIS C  87      61.270  17.256  13.731  1.00 20.47           C  
-ATOM   2899  CG  HIS C  87      62.503  16.441  13.445  1.00 18.81           C  
-ATOM   2900  ND1 HIS C  87      63.665  16.567  14.175  1.00 16.68           N  
-ATOM   2901  CD2 HIS C  87      62.765  15.521  12.482  1.00 16.14           C  
-ATOM   2902  CE1 HIS C  87      64.588  15.764  13.673  1.00 15.34           C  
-ATOM   2903  NE2 HIS C  87      64.068  15.119  12.643  1.00 13.33           N  
-ATOM   2904  N   ALA C  88      59.614  20.142  14.140  1.00 12.34           N  
-ATOM   2905  CA  ALA C  88      58.281  20.751  14.208  1.00 11.70           C  
-ATOM   2906  C   ALA C  88      58.233  22.147  13.609  1.00 13.51           C  
-ATOM   2907  O   ALA C  88      57.629  22.345  12.563  1.00 20.63           O  
-ATOM   2908  CB  ALA C  88      57.777  20.780  15.661  1.00  6.39           C  
-ATOM   2909  N   GLN C  89      58.873  23.110  14.265  1.00 18.67           N  
-ATOM   2910  CA  GLN C  89      58.904  24.501  13.798  1.00 21.13           C  
-ATOM   2911  C   GLN C  89      59.595  24.717  12.460  1.00 18.69           C  
-ATOM   2912  O   GLN C  89      59.083  25.415  11.598  1.00 15.20           O  
-ATOM   2913  CB  GLN C  89      59.596  25.385  14.837  1.00 30.26           C  
-ATOM   2914  CG  GLN C  89      58.960  25.336  16.218  1.00 43.04           C  
-ATOM   2915  CD  GLN C  89      57.690  26.161  16.310  1.00 52.15           C  
-ATOM   2916  OE1 GLN C  89      56.975  26.094  17.313  1.00 59.81           O  
-ATOM   2917  NE2 GLN C  89      57.406  26.956  15.272  1.00 50.76           N  
-ATOM   2918  N   LYS C  90      60.760  24.105  12.290  1.00 24.44           N  
-ATOM   2919  CA  LYS C  90      61.558  24.259  11.069  1.00 26.19           C  
-ATOM   2920  C   LYS C  90      61.138  23.447   9.828  1.00 22.67           C  
-ATOM   2921  O   LYS C  90      60.636  24.008   8.860  1.00 26.85           O  
-ATOM   2922  CB  LYS C  90      63.016  23.960  11.408  1.00 30.94           C  
-ATOM   2923  CG  LYS C  90      64.000  24.222  10.287  1.00 39.46           C  
-ATOM   2924  CD  LYS C  90      64.413  25.680  10.215  1.00 44.50           C  
-ATOM   2925  CE  LYS C  90      65.565  25.866   9.220  1.00 50.28           C  
-ATOM   2926  NZ  LYS C  90      66.792  25.102   9.613  1.00 49.19           N  
-ATOM   2927  N   LEU C  91      61.357  22.136   9.860  1.00 21.80           N  
-ATOM   2928  CA  LEU C  91      61.027  21.226   8.753  1.00 17.80           C  
-ATOM   2929  C   LEU C  91      59.524  20.936   8.548  1.00 16.14           C  
-ATOM   2930  O   LEU C  91      59.100  20.532   7.456  1.00  6.09           O  
-ATOM   2931  CB  LEU C  91      61.731  19.887   8.984  1.00 21.15           C  
-ATOM   2932  CG  LEU C  91      63.235  19.877   9.265  1.00 21.79           C  
-ATOM   2933  CD1 LEU C  91      63.660  18.497   9.728  1.00 17.74           C  
-ATOM   2934  CD2 LEU C  91      63.985  20.277   8.025  1.00 19.25           C  
-ATOM   2935  N   ARG C  92      58.741  21.142   9.608  1.00 13.95           N  
-ATOM   2936  CA  ARG C  92      57.305  20.877   9.633  1.00 15.23           C  
-ATOM   2937  C   ARG C  92      57.088  19.458   9.140  1.00 15.86           C  
-ATOM   2938  O   ARG C  92      56.390  19.252   8.144  1.00 16.35           O  
-ATOM   2939  CB  ARG C  92      56.490  21.825   8.737  1.00 18.95           C  
-ATOM   2940  CG  ARG C  92      56.915  23.288   8.666  1.00 26.82           C  
-ATOM   2941  CD  ARG C  92      56.906  24.050   9.982  1.00 27.37           C  
-ATOM   2942  NE  ARG C  92      55.594  24.189  10.609  1.00 31.01           N  
-ATOM   2943  CZ  ARG C  92      55.218  25.263  11.306  1.00 32.68           C  
-ATOM   2944  NH1 ARG C  92      56.047  26.294  11.441  1.00 28.95           N  
-ATOM   2945  NH2 ARG C  92      54.034  25.289  11.912  1.00 27.53           N  
-ATOM   2946  N   VAL C  93      57.679  18.479   9.828  1.00 13.20           N  
-ATOM   2947  CA  VAL C  93      57.535  17.090   9.419  1.00  8.47           C  
-ATOM   2948  C   VAL C  93      56.162  16.589   9.763  1.00  9.16           C  
-ATOM   2949  O   VAL C  93      55.706  16.750  10.902  1.00 11.81           O  
-ATOM   2950  CB  VAL C  93      58.539  16.167  10.108  1.00 14.13           C  
-ATOM   2951  CG1 VAL C  93      58.275  14.714   9.685  1.00 16.04           C  
-ATOM   2952  CG2 VAL C  93      59.949  16.579   9.761  1.00  7.76           C  
-ATOM   2953  N   ASP C  94      55.513  15.978   8.776  1.00  6.94           N  
-ATOM   2954  CA  ASP C  94      54.177  15.444   8.955  1.00 13.02           C  
-ATOM   2955  C   ASP C  94      54.267  14.319   9.970  1.00 15.25           C  
-ATOM   2956  O   ASP C  94      55.010  13.352   9.780  1.00 13.21           O  
-ATOM   2957  CB  ASP C  94      53.628  14.907   7.635  1.00 12.09           C  
-ATOM   2958  CG  ASP C  94      52.163  14.534   7.721  1.00 13.35           C  
-ATOM   2959  OD1 ASP C  94      51.789  13.905   8.730  1.00 21.68           O  
-ATOM   2960  OD2 ASP C  94      51.389  14.857   6.785  1.00  8.15           O  
-ATOM   2961  N   PRO C  95      53.510  14.436  11.071  1.00 14.65           N  
-ATOM   2962  CA  PRO C  95      53.513  13.418  12.121  1.00 15.52           C  
-ATOM   2963  C   PRO C  95      53.350  11.982  11.608  1.00 16.09           C  
-ATOM   2964  O   PRO C  95      53.767  11.018  12.268  1.00 15.78           O  
-ATOM   2965  CB  PRO C  95      52.369  13.874  13.037  1.00 12.29           C  
-ATOM   2966  CG  PRO C  95      51.489  14.633  12.146  1.00  8.02           C  
-ATOM   2967  CD  PRO C  95      52.454  15.426  11.322  1.00  9.15           C  
-ATOM   2968  N   VAL C  96      52.773  11.846  10.419  1.00 15.24           N  
-ATOM   2969  CA  VAL C  96      52.539  10.535   9.834  1.00 12.05           C  
-ATOM   2970  C   VAL C  96      53.818   9.789   9.478  1.00  9.09           C  
-ATOM   2971  O   VAL C  96      53.853   8.568   9.544  1.00  7.48           O  
-ATOM   2972  CB  VAL C  96      51.674  10.642   8.564  1.00 11.29           C  
-ATOM   2973  CG1 VAL C  96      52.537  11.051   7.387  1.00 14.68           C  
-ATOM   2974  CG2 VAL C  96      50.991   9.319   8.291  1.00 16.62           C  
-ATOM   2975  N   ASN C  97      54.866  10.514   9.100  1.00 11.03           N  
-ATOM   2976  CA  ASN C  97      56.135   9.881   8.720  1.00 11.79           C  
-ATOM   2977  C   ASN C  97      56.884   9.259   9.873  1.00 12.60           C  
-ATOM   2978  O   ASN C  97      57.695   8.366   9.673  1.00 18.06           O  
-ATOM   2979  CB  ASN C  97      57.077  10.872   8.043  1.00  9.15           C  
-ATOM   2980  CG  ASN C  97      56.592  11.293   6.701  1.00  4.70           C  
-ATOM   2981  OD1 ASN C  97      56.171  12.424   6.517  1.00 12.43           O  
-ATOM   2982  ND2 ASN C  97      56.637  10.384   5.747  1.00 16.18           N  
-ATOM   2983  N   PHE C  98      56.643   9.747  11.079  1.00 16.11           N  
-ATOM   2984  CA  PHE C  98      57.310   9.194  12.238  1.00  7.92           C  
-ATOM   2985  C   PHE C  98      56.888   7.736  12.378  1.00  7.52           C  
-ATOM   2986  O   PHE C  98      57.653   6.914  12.872  1.00 10.93           O  
-ATOM   2987  CB  PHE C  98      56.966  10.021  13.475  1.00 10.51           C  
-ATOM   2988  CG  PHE C  98      57.740  11.296  13.566  1.00  6.97           C  
-ATOM   2989  CD1 PHE C  98      59.001  11.314  14.141  1.00  8.63           C  
-ATOM   2990  CD2 PHE C  98      57.248  12.465  13.003  1.00  6.95           C  
-ATOM   2991  CE1 PHE C  98      59.770  12.474  14.152  1.00  7.09           C  
-ATOM   2992  CE2 PHE C  98      58.009  13.631  13.007  1.00  7.59           C  
-ATOM   2993  CZ  PHE C  98      59.274  13.634  13.583  1.00  4.32           C  
-ATOM   2994  N   LYS C  99      55.685   7.409  11.923  1.00  3.36           N  
-ATOM   2995  CA  LYS C  99      55.231   6.033  11.980  1.00  9.14           C  
-ATOM   2996  C   LYS C  99      56.122   5.207  11.056  1.00 10.22           C  
-ATOM   2997  O   LYS C  99      56.692   4.205  11.475  1.00 19.11           O  
-ATOM   2998  CB  LYS C  99      53.781   5.912  11.530  1.00 15.30           C  
-ATOM   2999  CG  LYS C  99      52.746   6.181  12.607  1.00 18.51           C  
-ATOM   3000  CD  LYS C  99      51.399   6.517  11.940  1.00 36.12           C  
-ATOM   3001  CE  LYS C  99      50.360   7.046  12.931  1.00 39.03           C  
-ATOM   3002  NZ  LYS C  99      49.148   7.553  12.217  1.00 47.85           N  
-ATOM   3003  N   PHE C 100      56.263   5.630   9.807  1.00  9.12           N  
-ATOM   3004  CA  PHE C 100      57.118   4.905   8.859  1.00  7.81           C  
-ATOM   3005  C   PHE C 100      58.521   4.589   9.386  1.00  7.97           C  
-ATOM   3006  O   PHE C 100      59.008   3.474   9.229  1.00  9.93           O  
-ATOM   3007  CB  PHE C 100      57.288   5.696   7.568  1.00  4.57           C  
-ATOM   3008  CG  PHE C 100      56.013   6.160   6.974  1.00  4.39           C  
-ATOM   3009  CD1 PHE C 100      55.959   7.380   6.308  1.00  7.57           C  
-ATOM   3010  CD2 PHE C 100      54.860   5.401   7.085  1.00  3.36           C  
-ATOM   3011  CE1 PHE C 100      54.774   7.840   5.762  1.00 11.54           C  
-ATOM   3012  CE2 PHE C 100      53.663   5.849   6.542  1.00  5.26           C  
-ATOM   3013  CZ  PHE C 100      53.616   7.068   5.882  1.00 11.74           C  
-ATOM   3014  N   LEU C 101      59.184   5.570   9.984  1.00  5.25           N  
-ATOM   3015  CA  LEU C 101      60.527   5.358  10.500  1.00  3.36           C  
-ATOM   3016  C   LEU C 101      60.565   4.389  11.679  1.00  9.02           C  
-ATOM   3017  O   LEU C 101      61.469   3.569  11.764  1.00 14.65           O  
-ATOM   3018  CB  LEU C 101      61.136   6.681  10.913  1.00  3.36           C  
-ATOM   3019  CG  LEU C 101      62.641   6.655  11.139  1.00  8.61           C  
-ATOM   3020  CD1 LEU C 101      63.197   8.018  10.769  1.00  7.11           C  
-ATOM   3021  CD2 LEU C 101      62.977   6.286  12.583  1.00 10.27           C  
-ATOM   3022  N   GLY C 102      59.598   4.466  12.589  1.00  3.36           N  
-ATOM   3023  CA  GLY C 102      59.610   3.546  13.709  1.00  6.21           C  
-ATOM   3024  C   GLY C 102      59.386   2.119  13.242  1.00  5.17           C  
-ATOM   3025  O   GLY C 102      59.960   1.167  13.773  1.00  5.22           O  
-ATOM   3026  N   HIS C 103      58.542   1.983  12.229  1.00  3.36           N  
-ATOM   3027  CA  HIS C 103      58.206   0.694  11.656  1.00  3.36           C  
-ATOM   3028  C   HIS C 103      59.429   0.017  11.098  1.00  7.01           C  
-ATOM   3029  O   HIS C 103      59.710  -1.132  11.408  1.00 10.09           O  
-ATOM   3030  CB  HIS C 103      57.215   0.899  10.540  1.00  5.99           C  
-ATOM   3031  CG  HIS C 103      56.785  -0.363   9.880  1.00  9.86           C  
-ATOM   3032  ND1 HIS C 103      56.280  -1.429  10.588  1.00 11.74           N  
-ATOM   3033  CD2 HIS C 103      56.734  -0.714   8.574  1.00 10.45           C  
-ATOM   3034  CE1 HIS C 103      55.934  -2.385   9.745  1.00 16.12           C  
-ATOM   3035  NE2 HIS C 103      56.198  -1.976   8.516  1.00 11.66           N  
-ATOM   3036  N   CYS C 104      60.147   0.737  10.247  1.00  7.90           N  
-ATOM   3037  CA  CYS C 104      61.349   0.214   9.656  1.00  8.00           C  
-ATOM   3038  C   CYS C 104      62.356  -0.145  10.736  1.00 14.85           C  
-ATOM   3039  O   CYS C 104      63.013  -1.186  10.650  1.00 22.44           O  
-ATOM   3040  CB  CYS C 104      61.936   1.232   8.691  1.00  3.71           C  
-ATOM   3041  SG  CYS C 104      60.901   1.406   7.245  1.00  9.28           S  
-ATOM   3042  N   PHE C 105      62.475   0.691  11.759  1.00 10.68           N  
-ATOM   3043  CA  PHE C 105      63.415   0.402  12.835  1.00 11.44           C  
-ATOM   3044  C   PHE C 105      63.139  -0.981  13.448  1.00 14.07           C  
-ATOM   3045  O   PHE C 105      64.062  -1.784  13.656  1.00 14.20           O  
-ATOM   3046  CB  PHE C 105      63.317   1.472  13.914  1.00 12.62           C  
-ATOM   3047  CG  PHE C 105      64.365   1.355  14.982  1.00 16.22           C  
-ATOM   3048  CD1 PHE C 105      64.011   1.031  16.293  1.00 17.89           C  
-ATOM   3049  CD2 PHE C 105      65.709   1.569  14.687  1.00 16.02           C  
-ATOM   3050  CE1 PHE C 105      64.994   0.923  17.301  1.00 16.89           C  
-ATOM   3051  CE2 PHE C 105      66.695   1.464  15.689  1.00 15.42           C  
-ATOM   3052  CZ  PHE C 105      66.337   1.143  16.992  1.00 10.20           C  
-ATOM   3053  N   LEU C 106      61.873  -1.254  13.740  1.00  7.58           N  
-ATOM   3054  CA  LEU C 106      61.500  -2.533  14.307  1.00  9.98           C  
-ATOM   3055  C   LEU C 106      61.847  -3.654  13.332  1.00 12.14           C  
-ATOM   3056  O   LEU C 106      62.277  -4.721  13.748  1.00 13.27           O  
-ATOM   3057  CB  LEU C 106      60.009  -2.547  14.628  1.00 14.44           C  
-ATOM   3058  CG  LEU C 106      59.646  -1.502  15.677  1.00 11.18           C  
-ATOM   3059  CD1 LEU C 106      58.179  -1.197  15.588  1.00  5.36           C  
-ATOM   3060  CD2 LEU C 106      60.054  -1.996  17.056  1.00 16.29           C  
-ATOM   3061  N   VAL C 107      61.673  -3.416  12.035  1.00 12.68           N  
-ATOM   3062  CA  VAL C 107      62.013  -4.427  11.040  1.00  6.82           C  
-ATOM   3063  C   VAL C 107      63.508  -4.744  11.104  1.00  8.53           C  
-ATOM   3064  O   VAL C 107      63.908  -5.913  11.032  1.00  4.39           O  
-ATOM   3065  CB  VAL C 107      61.659  -3.956   9.622  1.00  7.18           C  
-ATOM   3066  CG1 VAL C 107      62.480  -4.717   8.593  1.00  8.02           C  
-ATOM   3067  CG2 VAL C 107      60.188  -4.197   9.366  1.00  4.34           C  
-ATOM   3068  N   VAL C 108      64.331  -3.705  11.245  1.00  6.97           N  
-ATOM   3069  CA  VAL C 108      65.777  -3.886  11.322  1.00  5.93           C  
-ATOM   3070  C   VAL C 108      66.169  -4.702  12.556  1.00 10.14           C  
-ATOM   3071  O   VAL C 108      66.948  -5.642  12.445  1.00 12.77           O  
-ATOM   3072  CB  VAL C 108      66.517  -2.519  11.320  1.00  8.78           C  
-ATOM   3073  CG1 VAL C 108      67.986  -2.690  11.722  1.00  5.00           C  
-ATOM   3074  CG2 VAL C 108      66.445  -1.898   9.916  1.00  9.51           C  
-ATOM   3075  N   VAL C 109      65.632  -4.358  13.725  1.00 11.12           N  
-ATOM   3076  CA  VAL C 109      65.940  -5.103  14.948  1.00  9.32           C  
-ATOM   3077  C   VAL C 109      65.487  -6.569  14.785  1.00 11.30           C  
-ATOM   3078  O   VAL C 109      66.212  -7.504  15.148  1.00  7.72           O  
-ATOM   3079  CB  VAL C 109      65.247  -4.449  16.179  1.00 13.50           C  
-ATOM   3080  CG1 VAL C 109      65.389  -5.321  17.407  1.00 17.69           C  
-ATOM   3081  CG2 VAL C 109      65.882  -3.103  16.465  1.00 17.96           C  
-ATOM   3082  N   ALA C 110      64.301  -6.775  14.219  1.00  9.96           N  
-ATOM   3083  CA  ALA C 110      63.786  -8.129  13.997  1.00 11.51           C  
-ATOM   3084  C   ALA C 110      64.746  -8.987  13.171  1.00 14.87           C  
-ATOM   3085  O   ALA C 110      64.976 -10.150  13.483  1.00 16.49           O  
-ATOM   3086  CB  ALA C 110      62.437  -8.076  13.301  1.00  6.92           C  
-ATOM   3087  N   ILE C 111      65.294  -8.417  12.106  1.00 14.18           N  
-ATOM   3088  CA  ILE C 111      66.226  -9.152  11.269  1.00 11.61           C  
-ATOM   3089  C   ILE C 111      67.563  -9.519  11.951  1.00 11.62           C  
-ATOM   3090  O   ILE C 111      68.087 -10.609  11.739  1.00  4.67           O  
-ATOM   3091  CB  ILE C 111      66.522  -8.357   9.990  1.00  9.49           C  
-ATOM   3092  CG1 ILE C 111      65.264  -8.309   9.124  1.00 14.91           C  
-ATOM   3093  CG2 ILE C 111      67.686  -8.978   9.241  1.00  8.94           C  
-ATOM   3094  CD1 ILE C 111      65.492  -7.771   7.728  1.00  3.36           C  
-ATOM   3095  N   HIS C 112      68.109  -8.629  12.776  1.00 12.36           N  
-ATOM   3096  CA  HIS C 112      69.394  -8.901  13.421  1.00 13.83           C  
-ATOM   3097  C   HIS C 112      69.363  -9.480  14.846  1.00 14.92           C  
-ATOM   3098  O   HIS C 112      70.290 -10.188  15.250  1.00  8.21           O  
-ATOM   3099  CB  HIS C 112      70.274  -7.639  13.405  1.00 13.92           C  
-ATOM   3100  CG  HIS C 112      70.527  -7.097  12.033  1.00 25.76           C  
-ATOM   3101  ND1 HIS C 112      71.510  -6.172  11.767  1.00 32.12           N  
-ATOM   3102  CD2 HIS C 112      69.904  -7.329  10.852  1.00 30.78           C  
-ATOM   3103  CE1 HIS C 112      71.483  -5.855  10.483  1.00 33.62           C  
-ATOM   3104  NE2 HIS C 112      70.517  -6.544   9.905  1.00 30.33           N  
-ATOM   3105  N   HIS C 113      68.319  -9.183  15.612  1.00 14.20           N  
-ATOM   3106  CA  HIS C 113      68.250  -9.693  16.970  1.00 12.10           C  
-ATOM   3107  C   HIS C 113      66.854 -10.164  17.289  1.00 11.99           C  
-ATOM   3108  O   HIS C 113      66.259  -9.748  18.274  1.00 12.82           O  
-ATOM   3109  CB  HIS C 113      68.668  -8.619  17.972  1.00 13.27           C  
-ATOM   3110  CG  HIS C 113      70.089  -8.167  17.825  1.00 21.11           C  
-ATOM   3111  ND1 HIS C 113      70.575  -7.588  16.672  1.00 26.71           N  
-ATOM   3112  CD2 HIS C 113      71.113  -8.158  18.708  1.00 24.71           C  
-ATOM   3113  CE1 HIS C 113      71.834  -7.235  16.852  1.00 23.92           C  
-ATOM   3114  NE2 HIS C 113      72.185  -7.569  18.079  1.00 30.17           N  
-ATOM   3115  N   PRO C 114      66.319 -11.063  16.458  1.00 13.30           N  
-ATOM   3116  CA  PRO C 114      64.977 -11.653  16.584  1.00 14.69           C  
-ATOM   3117  C   PRO C 114      64.648 -12.200  17.986  1.00 21.69           C  
-ATOM   3118  O   PRO C 114      63.481 -12.310  18.369  1.00 22.11           O  
-ATOM   3119  CB  PRO C 114      64.984 -12.752  15.519  1.00 10.53           C  
-ATOM   3120  CG  PRO C 114      66.433 -13.095  15.377  1.00 10.32           C  
-ATOM   3121  CD  PRO C 114      67.123 -11.775  15.449  1.00  9.93           C  
-ATOM   3122  N   SER C 115      65.683 -12.556  18.738  1.00 27.17           N  
-ATOM   3123  CA  SER C 115      65.510 -13.080  20.085  1.00 27.19           C  
-ATOM   3124  C   SER C 115      65.380 -11.906  21.039  1.00 25.90           C  
-ATOM   3125  O   SER C 115      64.718 -11.995  22.073  1.00 26.37           O  
-ATOM   3126  CB  SER C 115      66.723 -13.922  20.494  1.00 28.57           C  
-ATOM   3127  OG  SER C 115      67.931 -13.244  20.170  1.00 39.90           O  
-ATOM   3128  N   ALA C 116      66.022 -10.801  20.688  1.00 23.73           N  
-ATOM   3129  CA  ALA C 116      65.991  -9.619  21.533  1.00 23.66           C  
-ATOM   3130  C   ALA C 116      64.658  -8.909  21.435  1.00 23.19           C  
-ATOM   3131  O   ALA C 116      64.299  -8.146  22.330  1.00 28.04           O  
-ATOM   3132  CB  ALA C 116      67.118  -8.657  21.148  1.00 15.19           C  
-ATOM   3133  N   LEU C 117      63.920  -9.172  20.359  1.00 22.37           N  
-ATOM   3134  CA  LEU C 117      62.636  -8.507  20.131  1.00 16.66           C  
-ATOM   3135  C   LEU C 117      61.433  -9.359  20.457  1.00 13.46           C  
-ATOM   3136  O   LEU C 117      60.589  -9.614  19.602  1.00 13.84           O  
-ATOM   3137  CB  LEU C 117      62.529  -8.036  18.675  1.00 14.57           C  
-ATOM   3138  CG  LEU C 117      61.338  -7.120  18.401  1.00  9.99           C  
-ATOM   3139  CD1 LEU C 117      61.492  -5.833  19.199  1.00 10.34           C  
-ATOM   3140  CD2 LEU C 117      61.245  -6.828  16.927  1.00  9.47           C  
-ATOM   3141  N   THR C 118      61.345  -9.797  21.699  1.00 15.74           N  
-ATOM   3142  CA  THR C 118      60.218 -10.621  22.104  1.00 17.91           C  
-ATOM   3143  C   THR C 118      58.999  -9.706  22.056  1.00 14.59           C  
-ATOM   3144  O   THR C 118      59.158  -8.493  22.101  1.00 10.30           O  
-ATOM   3145  CB  THR C 118      60.447 -11.201  23.521  1.00 20.21           C  
-ATOM   3146  OG1 THR C 118      60.494 -10.143  24.482  1.00 26.49           O  
-ATOM   3147  CG2 THR C 118      61.778 -11.939  23.570  1.00 25.22           C  
-ATOM   3148  N   ALA C 119      57.799 -10.282  21.953  1.00 12.19           N  
-ATOM   3149  CA  ALA C 119      56.560  -9.515  21.860  1.00  4.49           C  
-ATOM   3150  C   ALA C 119      56.382  -8.490  22.977  1.00 13.60           C  
-ATOM   3151  O   ALA C 119      55.774  -7.442  22.782  1.00  6.75           O  
-ATOM   3152  CB  ALA C 119      55.376 -10.448  21.828  1.00  3.36           C  
-ATOM   3153  N   GLU C 120      56.902  -8.792  24.161  1.00 24.30           N  
-ATOM   3154  CA  GLU C 120      56.786  -7.878  25.297  1.00 23.66           C  
-ATOM   3155  C   GLU C 120      57.597  -6.625  25.001  1.00 18.23           C  
-ATOM   3156  O   GLU C 120      57.112  -5.505  25.118  1.00 17.84           O  
-ATOM   3157  CB  GLU C 120      57.299  -8.554  26.565  1.00 32.59           C  
-ATOM   3158  CG  GLU C 120      56.441  -8.291  27.779  1.00 46.52           C  
-ATOM   3159  CD  GLU C 120      56.786  -9.192  28.948  1.00 55.15           C  
-ATOM   3160  OE1 GLU C 120      57.951  -9.147  29.421  1.00 61.22           O  
-ATOM   3161  OE2 GLU C 120      55.885  -9.943  29.385  1.00 53.70           O  
-ATOM   3162  N   VAL C 121      58.842  -6.810  24.607  1.00 18.59           N  
-ATOM   3163  CA  VAL C 121      59.670  -5.663  24.278  1.00 16.88           C  
-ATOM   3164  C   VAL C 121      59.001  -4.891  23.136  1.00 11.67           C  
-ATOM   3165  O   VAL C 121      58.902  -3.671  23.175  1.00 11.74           O  
-ATOM   3166  CB  VAL C 121      61.081  -6.123  23.872  1.00 18.36           C  
-ATOM   3167  CG1 VAL C 121      61.917  -4.935  23.415  1.00 19.71           C  
-ATOM   3168  CG2 VAL C 121      61.740  -6.822  25.061  1.00  8.82           C  
-ATOM   3169  N   HIS C 122      58.517  -5.619  22.135  1.00  9.86           N  
-ATOM   3170  CA  HIS C 122      57.856  -5.025  20.981  1.00  5.29           C  
-ATOM   3171  C   HIS C 122      56.835  -3.990  21.412  1.00  5.59           C  
-ATOM   3172  O   HIS C 122      56.719  -2.941  20.809  1.00 10.97           O  
-ATOM   3173  CB  HIS C 122      57.182  -6.116  20.154  1.00  3.36           C  
-ATOM   3174  CG  HIS C 122      56.622  -5.643  18.849  1.00  9.35           C  
-ATOM   3175  ND1 HIS C 122      56.198  -6.511  17.866  1.00 12.43           N  
-ATOM   3176  CD2 HIS C 122      56.449  -4.397  18.347  1.00 12.74           C  
-ATOM   3177  CE1 HIS C 122      55.793  -5.823  16.814  1.00 13.26           C  
-ATOM   3178  NE2 HIS C 122      55.935  -4.538  17.080  1.00 13.70           N  
-ATOM   3179  N   ALA C 123      56.095  -4.274  22.469  1.00 10.52           N  
-ATOM   3180  CA  ALA C 123      55.101  -3.324  22.915  1.00  8.46           C  
-ATOM   3181  C   ALA C 123      55.786  -2.153  23.610  1.00 11.28           C  
-ATOM   3182  O   ALA C 123      55.420  -1.000  23.385  1.00  8.04           O  
-ATOM   3183  CB  ALA C 123      54.116  -4.004  23.838  1.00  5.96           C  
-ATOM   3184  N   SER C 124      56.788  -2.435  24.442  1.00 14.34           N  
-ATOM   3185  CA  SER C 124      57.486  -1.358  25.144  1.00 16.20           C  
-ATOM   3186  C   SER C 124      58.157  -0.439  24.134  1.00 16.89           C  
-ATOM   3187  O   SER C 124      58.154   0.776  24.289  1.00 17.09           O  
-ATOM   3188  CB  SER C 124      58.542  -1.907  26.098  1.00 14.08           C  
-ATOM   3189  OG  SER C 124      57.964  -2.778  27.041  1.00 23.02           O  
-ATOM   3190  N   LEU C 125      58.736  -1.020  23.093  1.00 17.06           N  
-ATOM   3191  CA  LEU C 125      59.400  -0.209  22.073  1.00 20.08           C  
-ATOM   3192  C   LEU C 125      58.407   0.681  21.340  1.00 18.89           C  
-ATOM   3193  O   LEU C 125      58.706   1.831  21.013  1.00 18.25           O  
-ATOM   3194  CB  LEU C 125      60.106  -1.090  21.047  1.00 11.96           C  
-ATOM   3195  CG  LEU C 125      61.613  -1.209  21.168  1.00 11.18           C  
-ATOM   3196  CD1 LEU C 125      62.129  -1.846  19.889  1.00 12.64           C  
-ATOM   3197  CD2 LEU C 125      62.237   0.164  21.392  1.00  3.36           C  
-ATOM   3198  N   ASP C 126      57.227   0.133  21.079  1.00 17.12           N  
-ATOM   3199  CA  ASP C 126      56.197   0.859  20.369  1.00 15.19           C  
-ATOM   3200  C   ASP C 126      55.703   2.085  21.133  1.00 17.69           C  
-ATOM   3201  O   ASP C 126      55.458   3.136  20.537  1.00 15.64           O  
-ATOM   3202  CB  ASP C 126      55.044  -0.076  20.049  1.00 15.29           C  
-ATOM   3203  CG  ASP C 126      54.023   0.565  19.159  1.00 21.31           C  
-ATOM   3204  OD1 ASP C 126      52.991   1.019  19.689  1.00 14.93           O  
-ATOM   3205  OD2 ASP C 126      54.263   0.620  17.930  1.00 23.06           O  
-ATOM   3206  N   LYS C 127      55.567   1.960  22.453  1.00 22.33           N  
-ATOM   3207  CA  LYS C 127      55.123   3.085  23.282  1.00 20.71           C  
-ATOM   3208  C   LYS C 127      56.249   4.123  23.351  1.00 20.03           C  
-ATOM   3209  O   LYS C 127      56.009   5.322  23.461  1.00 20.93           O  
-ATOM   3210  CB  LYS C 127      54.775   2.617  24.705  1.00 24.70           C  
-ATOM   3211  CG  LYS C 127      53.798   1.450  24.778  1.00 25.51           C  
-ATOM   3212  CD  LYS C 127      53.196   1.289  26.169  1.00 25.81           C  
-ATOM   3213  CE  LYS C 127      52.614  -0.115  26.343  1.00 31.49           C  
-ATOM   3214  NZ  LYS C 127      51.911  -0.602  25.112  1.00 32.25           N  
-ATOM   3215  N   PHE C 128      57.486   3.648  23.294  1.00 21.51           N  
-ATOM   3216  CA  PHE C 128      58.650   4.523  23.341  1.00 20.10           C  
-ATOM   3217  C   PHE C 128      58.660   5.414  22.111  1.00 22.36           C  
-ATOM   3218  O   PHE C 128      58.786   6.630  22.205  1.00 25.54           O  
-ATOM   3219  CB  PHE C 128      59.925   3.689  23.369  1.00 16.02           C  
-ATOM   3220  CG  PHE C 128      61.171   4.501  23.389  1.00  7.82           C  
-ATOM   3221  CD1 PHE C 128      61.483   5.287  24.485  1.00  4.46           C  
-ATOM   3222  CD2 PHE C 128      62.031   4.487  22.312  1.00  3.58           C  
-ATOM   3223  CE1 PHE C 128      62.641   6.047  24.507  1.00  3.79           C  
-ATOM   3224  CE2 PHE C 128      63.186   5.244  22.327  1.00  8.03           C  
-ATOM   3225  CZ  PHE C 128      63.494   6.028  23.428  1.00  4.06           C  
-ATOM   3226  N   LEU C 129      58.520   4.792  20.950  1.00 24.25           N  
-ATOM   3227  CA  LEU C 129      58.516   5.516  19.693  1.00 21.44           C  
-ATOM   3228  C   LEU C 129      57.342   6.489  19.537  1.00 21.36           C  
-ATOM   3229  O   LEU C 129      57.531   7.585  19.019  1.00 19.49           O  
-ATOM   3230  CB  LEU C 129      58.546   4.514  18.537  1.00 18.71           C  
-ATOM   3231  CG  LEU C 129      59.770   3.598  18.555  1.00 13.95           C  
-ATOM   3232  CD1 LEU C 129      59.677   2.558  17.451  1.00 11.87           C  
-ATOM   3233  CD2 LEU C 129      61.029   4.445  18.402  1.00 10.66           C  
-ATOM   3234  N   CYS C 130      56.136   6.108  19.966  1.00 22.40           N  
-ATOM   3235  CA  CYS C 130      55.004   7.029  19.826  1.00 22.88           C  
-ATOM   3236  C   CYS C 130      55.325   8.211  20.744  1.00 21.76           C  
-ATOM   3237  O   CYS C 130      55.051   9.361  20.409  1.00 24.84           O  
-ATOM   3238  CB  CYS C 130      53.644   6.365  20.199  1.00 17.49           C  
-ATOM   3239  SG  CYS C 130      52.223   6.612  18.967  1.00 14.00           S  
-ATOM   3240  N   ALA C 131      55.958   7.934  21.879  1.00 17.86           N  
-ATOM   3241  CA  ALA C 131      56.307   8.995  22.825  1.00 16.52           C  
-ATOM   3242  C   ALA C 131      57.311   9.931  22.204  1.00 12.39           C  
-ATOM   3243  O   ALA C 131      57.157  11.146  22.232  1.00 11.02           O  
-ATOM   3244  CB  ALA C 131      56.876   8.401  24.104  1.00 16.04           C  
-ATOM   3245  N   VAL C 132      58.357   9.345  21.648  1.00 15.27           N  
-ATOM   3246  CA  VAL C 132      59.392  10.117  20.992  1.00 16.78           C  
-ATOM   3247  C   VAL C 132      58.810  10.944  19.844  1.00 18.90           C  
-ATOM   3248  O   VAL C 132      58.971  12.162  19.804  1.00 16.36           O  
-ATOM   3249  CB  VAL C 132      60.476   9.186  20.466  1.00 12.21           C  
-ATOM   3250  CG1 VAL C 132      61.359   9.909  19.444  1.00  9.42           C  
-ATOM   3251  CG2 VAL C 132      61.294   8.702  21.637  1.00 10.63           C  
-ATOM   3252  N   GLY C 133      58.131  10.276  18.917  1.00 21.10           N  
-ATOM   3253  CA  GLY C 133      57.530  10.975  17.791  1.00 21.81           C  
-ATOM   3254  C   GLY C 133      56.589  12.068  18.258  1.00 18.63           C  
-ATOM   3255  O   GLY C 133      56.475  13.111  17.614  1.00 17.54           O  
-ATOM   3256  N   THR C 134      55.906  11.837  19.376  1.00 17.18           N  
-ATOM   3257  CA  THR C 134      54.999  12.855  19.887  1.00 16.97           C  
-ATOM   3258  C   THR C 134      55.804  14.099  20.162  1.00 11.72           C  
-ATOM   3259  O   THR C 134      55.558  15.107  19.561  1.00 18.32           O  
-ATOM   3260  CB  THR C 134      54.283  12.438  21.180  1.00 15.46           C  
-ATOM   3261  OG1 THR C 134      53.249  11.495  20.871  1.00 17.53           O  
-ATOM   3262  CG2 THR C 134      53.658  13.661  21.853  1.00  5.71           C  
-ATOM   3263  N   VAL C 135      56.771  14.009  21.060  1.00  8.42           N  
-ATOM   3264  CA  VAL C 135      57.651  15.123  21.405  1.00  5.00           C  
-ATOM   3265  C   VAL C 135      58.300  15.809  20.188  1.00  7.79           C  
-ATOM   3266  O   VAL C 135      58.383  17.045  20.134  1.00  6.20           O  
-ATOM   3267  CB  VAL C 135      58.774  14.626  22.377  1.00  9.51           C  
-ATOM   3268  CG1 VAL C 135      59.906  15.641  22.481  1.00  3.36           C  
-ATOM   3269  CG2 VAL C 135      58.171  14.344  23.755  1.00  7.74           C  
-ATOM   3270  N   LEU C 136      58.748  15.020  19.210  1.00  6.62           N  
-ATOM   3271  CA  LEU C 136      59.408  15.578  18.031  1.00  8.60           C  
-ATOM   3272  C   LEU C 136      58.530  16.392  17.086  1.00  8.66           C  
-ATOM   3273  O   LEU C 136      59.033  17.024  16.165  1.00  3.36           O  
-ATOM   3274  CB  LEU C 136      60.132  14.480  17.248  1.00  9.99           C  
-ATOM   3275  CG  LEU C 136      61.519  14.080  17.775  1.00  8.95           C  
-ATOM   3276  CD1 LEU C 136      62.455  15.239  17.764  1.00  5.14           C  
-ATOM   3277  CD2 LEU C 136      61.389  13.577  19.189  1.00 21.99           C  
-ATOM   3278  N   THR C 137      57.223  16.361  17.306  1.00 10.16           N  
-ATOM   3279  CA  THR C 137      56.283  17.141  16.507  1.00 16.28           C  
-ATOM   3280  C   THR C 137      55.470  17.868  17.546  1.00 21.60           C  
-ATOM   3281  O   THR C 137      54.939  18.937  17.309  1.00 20.36           O  
-ATOM   3282  CB  THR C 137      55.309  16.257  15.664  1.00 14.42           C  
-ATOM   3283  OG1 THR C 137      54.545  15.404  16.518  1.00  3.36           O  
-ATOM   3284  CG2 THR C 137      56.074  15.407  14.677  1.00 19.95           C  
-ATOM   3285  N   ALA C 138      55.436  17.258  18.724  1.00 36.38           N  
-ATOM   3286  CA  ALA C 138      54.679  17.714  19.888  1.00 44.82           C  
-ATOM   3287  C   ALA C 138      54.595  19.188  20.127  1.00 48.18           C  
-ATOM   3288  O   ALA C 138      53.731  19.603  20.890  1.00 50.97           O  
-ATOM   3289  CB  ALA C 138      55.188  17.031  21.179  1.00 46.83           C  
-ATOM   3290  N   LYS C 139      55.474  19.983  19.522  1.00 48.08           N  
-ATOM   3291  CA  LYS C 139      55.397  21.418  19.753  1.00 56.90           C  
-ATOM   3292  C   LYS C 139      53.897  21.750  19.788  1.00 62.30           C  
-ATOM   3293  O   LYS C 139      53.452  22.650  20.530  1.00 65.62           O  
-ATOM   3294  CB  LYS C 139      56.105  22.190  18.627  1.00 59.64           C  
-ATOM   3295  CG  LYS C 139      56.436  23.662  18.958  1.00 59.19           C  
-ATOM   3296  CD  LYS C 139      57.341  23.778  20.203  1.00 58.61           C  
-ATOM   3297  CE  LYS C 139      58.667  23.032  20.024  1.00 54.55           C  
-ATOM   3298  NZ  LYS C 139      59.474  22.961  21.282  1.00 51.08           N  
-ATOM   3299  N   TYR C 140      53.129  20.970  19.015  1.00 63.04           N  
-ATOM   3300  CA  TYR C 140      51.672  21.103  18.905  1.00 62.87           C  
-ATOM   3301  C   TYR C 140      50.925  20.458  20.102  1.00 59.56           C  
-ATOM   3302  O   TYR C 140      49.749  20.116  19.987  1.00 59.64           O  
-ATOM   3303  CB  TYR C 140      51.167  20.462  17.590  1.00 63.70           C  
-ATOM   3304  CG  TYR C 140      52.207  20.281  16.472  1.00 68.15           C  
-ATOM   3305  CD1 TYR C 140      52.437  19.015  15.902  1.00 68.60           C  
-ATOM   3306  CD2 TYR C 140      52.929  21.369  15.954  1.00 69.34           C  
-ATOM   3307  CE1 TYR C 140      53.356  18.834  14.846  1.00 67.55           C  
-ATOM   3308  CE2 TYR C 140      53.855  21.198  14.891  1.00 68.82           C  
-ATOM   3309  CZ  TYR C 140      54.059  19.926  14.346  1.00 69.34           C  
-ATOM   3310  OH  TYR C 140      54.953  19.740  13.305  1.00 69.17           O  
-ATOM   3311  N   ARG C 141      51.618  20.276  21.230  1.00 57.07           N  
-ATOM   3312  CA  ARG C 141      51.046  19.694  22.454  1.00 52.78           C  
-ATOM   3313  C   ARG C 141      51.706  20.239  23.706  1.00 49.34           C  
-ATOM   3314  O   ARG C 141      52.445  21.262  23.637  1.00 39.90           O  
-ATOM   3315  CB  ARG C 141      51.200  18.172  22.508  1.00 56.11           C  
-ATOM   3316  CG  ARG C 141      49.896  17.396  22.420  1.00 58.69           C  
-ATOM   3317  CD  ARG C 141      49.407  17.289  20.955  1.00 61.67           C  
-ATOM   3318  NE  ARG C 141      50.317  16.510  20.113  1.00 52.66           N  
-ATOM   3319  CZ  ARG C 141      51.468  16.962  19.617  1.00 49.27           C  
-ATOM   3320  NH1 ARG C 141      51.873  18.200  19.855  1.00 33.16           N  
-ATOM   3321  NH2 ARG C 141      52.234  16.159  18.896  1.00 53.68           N  
-ATOM   3322  OXT ARG C 141      51.453  19.582  24.743  1.00 46.96           O  
-TER    3323      ARG C 141                                                      
-ATOM   3324  N   VAL D   1      45.561  -2.379  -8.832  1.00 48.45           N  
-ATOM   3325  CA  VAL D   1      46.989  -1.986  -8.732  1.00 47.62           C  
-ATOM   3326  C   VAL D   1      47.806  -2.643  -9.842  1.00 50.20           C  
-ATOM   3327  O   VAL D   1      47.334  -3.537 -10.556  1.00 55.19           O  
-ATOM   3328  CB  VAL D   1      47.575  -2.386  -7.352  1.00 47.01           C  
-ATOM   3329  CG1 VAL D   1      48.996  -1.860  -7.202  1.00 43.46           C  
-ATOM   3330  CG2 VAL D   1      46.690  -1.838  -6.241  1.00 49.40           C  
-ATOM   3331  N   HIS D   2      49.040  -2.190  -9.984  1.00 47.16           N  
-ATOM   3332  CA  HIS D   2      49.924  -2.716 -10.999  1.00 45.53           C  
-ATOM   3333  C   HIS D   2      51.093  -3.415 -10.298  1.00 43.44           C  
-ATOM   3334  O   HIS D   2      51.725  -2.825  -9.424  1.00 45.11           O  
-ATOM   3335  CB  HIS D   2      50.384  -1.543 -11.866  1.00 50.10           C  
-ATOM   3336  CG  HIS D   2      51.545  -1.854 -12.742  1.00 57.03           C  
-ATOM   3337  ND1 HIS D   2      52.801  -1.331 -12.525  1.00 59.30           N  
-ATOM   3338  CD2 HIS D   2      51.646  -2.637 -13.839  1.00 58.27           C  
-ATOM   3339  CE1 HIS D   2      53.628  -1.778 -13.453  1.00 57.40           C  
-ATOM   3340  NE2 HIS D   2      52.953  -2.574 -14.261  1.00 60.22           N  
-ATOM   3341  N   TRP D   3      51.360  -4.675 -10.650  1.00 37.87           N  
-ATOM   3342  CA  TRP D   3      52.465  -5.405 -10.025  1.00 33.32           C  
-ATOM   3343  C   TRP D   3      53.626  -5.633 -10.995  1.00 33.33           C  
-ATOM   3344  O   TRP D   3      53.460  -6.300 -12.019  1.00 34.32           O  
-ATOM   3345  CB  TRP D   3      52.002  -6.770  -9.488  1.00 27.88           C  
-ATOM   3346  CG  TRP D   3      50.940  -6.699  -8.445  1.00 22.38           C  
-ATOM   3347  CD1 TRP D   3      49.595  -6.752  -8.646  1.00 22.44           C  
-ATOM   3348  CD2 TRP D   3      51.127  -6.504  -7.038  1.00 20.61           C  
-ATOM   3349  NE1 TRP D   3      48.927  -6.597  -7.450  1.00 20.95           N  
-ATOM   3350  CE2 TRP D   3      49.847  -6.442  -6.449  1.00 22.23           C  
-ATOM   3351  CE3 TRP D   3      52.250  -6.372  -6.219  1.00 19.85           C  
-ATOM   3352  CZ2 TRP D   3      49.661  -6.253  -5.078  1.00 19.48           C  
-ATOM   3353  CZ3 TRP D   3      52.064  -6.183  -4.858  1.00 16.97           C  
-ATOM   3354  CH2 TRP D   3      50.780  -6.125  -4.302  1.00 15.73           C  
-ATOM   3355  N   SER D   4      54.797  -5.085 -10.677  1.00 29.36           N  
-ATOM   3356  CA  SER D   4      55.939  -5.295 -11.535  1.00 29.24           C  
-ATOM   3357  C   SER D   4      56.239  -6.804 -11.505  1.00 32.24           C  
-ATOM   3358  O   SER D   4      55.905  -7.501 -10.545  1.00 33.14           O  
-ATOM   3359  CB  SER D   4      57.144  -4.451 -11.067  1.00 27.40           C  
-ATOM   3360  OG  SER D   4      57.635  -4.836  -9.797  1.00 25.25           O  
-ATOM   3361  N   ALA D   5      56.845  -7.315 -12.571  1.00 35.80           N  
-ATOM   3362  CA  ALA D   5      57.156  -8.736 -12.664  1.00 33.07           C  
-ATOM   3363  C   ALA D   5      58.021  -9.269 -11.518  1.00 33.74           C  
-ATOM   3364  O   ALA D   5      57.951 -10.456 -11.190  1.00 32.23           O  
-ATOM   3365  CB  ALA D   5      57.821  -9.020 -13.995  1.00 32.74           C  
-ATOM   3366  N   GLU D   6      58.839  -8.403 -10.922  1.00 31.77           N  
-ATOM   3367  CA  GLU D   6      59.701  -8.813  -9.819  1.00 34.83           C  
-ATOM   3368  C   GLU D   6      58.887  -8.828  -8.545  1.00 34.74           C  
-ATOM   3369  O   GLU D   6      59.002  -9.751  -7.736  1.00 38.15           O  
-ATOM   3370  CB  GLU D   6      60.899  -7.872  -9.663  1.00 37.72           C  
-ATOM   3371  CG  GLU D   6      60.786  -6.594 -10.463  1.00 50.78           C  
-ATOM   3372  CD  GLU D   6      60.726  -6.839 -11.972  1.00 58.65           C  
-ATOM   3373  OE1 GLU D   6      59.727  -6.415 -12.615  1.00 62.00           O  
-ATOM   3374  OE2 GLU D   6      61.678  -7.455 -12.511  1.00 58.76           O  
-ATOM   3375  N   GLU D   7      58.057  -7.812  -8.359  1.00 30.63           N  
-ATOM   3376  CA  GLU D   7      57.215  -7.780  -7.175  1.00 28.77           C  
-ATOM   3377  C   GLU D   7      56.545  -9.135  -7.009  1.00 28.61           C  
-ATOM   3378  O   GLU D   7      56.500  -9.678  -5.910  1.00 28.42           O  
-ATOM   3379  CB  GLU D   7      56.147  -6.698  -7.295  1.00 28.15           C  
-ATOM   3380  CG  GLU D   7      56.639  -5.326  -6.902  1.00 28.96           C  
-ATOM   3381  CD  GLU D   7      55.581  -4.256  -7.063  1.00 28.98           C  
-ATOM   3382  OE1 GLU D   7      55.835  -3.117  -6.605  1.00 26.51           O  
-ATOM   3383  OE2 GLU D   7      54.508  -4.554  -7.645  1.00 19.04           O  
-ATOM   3384  N   LYS D   8      56.031  -9.688  -8.103  1.00 28.19           N  
-ATOM   3385  CA  LYS D   8      55.381 -10.989  -8.031  1.00 29.34           C  
-ATOM   3386  C   LYS D   8      56.421 -12.018  -7.634  1.00 29.17           C  
-ATOM   3387  O   LYS D   8      56.211 -12.781  -6.696  1.00 34.31           O  
-ATOM   3388  CB  LYS D   8      54.740 -11.348  -9.372  1.00 29.14           C  
-ATOM   3389  CG  LYS D   8      53.701 -10.328  -9.821  1.00 34.49           C  
-ATOM   3390  CD  LYS D   8      52.897 -10.791 -11.028  1.00 35.31           C  
-ATOM   3391  CE  LYS D   8      51.856  -9.742 -11.420  1.00 36.18           C  
-ATOM   3392  NZ  LYS D   8      50.941 -10.196 -12.509  1.00 34.75           N  
-ATOM   3393  N   GLN D   9      57.549 -12.016  -8.338  1.00 28.54           N  
-ATOM   3394  CA  GLN D   9      58.655 -12.933  -8.059  1.00 30.77           C  
-ATOM   3395  C   GLN D   9      58.989 -12.892  -6.561  1.00 27.83           C  
-ATOM   3396  O   GLN D   9      58.902 -13.907  -5.856  1.00 22.08           O  
-ATOM   3397  CB  GLN D   9      59.871 -12.505  -8.883  1.00 36.07           C  
-ATOM   3398  CG  GLN D   9      61.158 -13.263  -8.622  1.00 46.41           C  
-ATOM   3399  CD  GLN D   9      62.378 -12.391  -8.878  1.00 56.63           C  
-ATOM   3400  OE1 GLN D   9      63.026 -11.918  -7.937  1.00 61.42           O  
-ATOM   3401  NE2 GLN D   9      62.683 -12.150 -10.156  1.00 58.08           N  
-ATOM   3402  N   LEU D  10      59.364 -11.704  -6.093  1.00 23.22           N  
-ATOM   3403  CA  LEU D  10      59.702 -11.468  -4.697  1.00 21.34           C  
-ATOM   3404  C   LEU D  10      58.692 -12.089  -3.735  1.00 23.33           C  
-ATOM   3405  O   LEU D  10      59.070 -12.706  -2.740  1.00 24.43           O  
-ATOM   3406  CB  LEU D  10      59.749  -9.967  -4.419  1.00 21.92           C  
-ATOM   3407  CG  LEU D  10      60.986  -9.143  -4.718  1.00 17.61           C  
-ATOM   3408  CD1 LEU D  10      62.115  -9.641  -3.848  1.00 17.84           C  
-ATOM   3409  CD2 LEU D  10      61.340  -9.253  -6.192  1.00 30.25           C  
-ATOM   3410  N   ILE D  11      57.411 -11.902  -4.040  1.00 22.16           N  
-ATOM   3411  CA  ILE D  11      56.317 -12.396  -3.213  1.00 23.76           C  
-ATOM   3412  C   ILE D  11      56.087 -13.898  -3.235  1.00 26.03           C  
-ATOM   3413  O   ILE D  11      56.047 -14.530  -2.182  1.00 30.98           O  
-ATOM   3414  CB  ILE D  11      54.991 -11.686  -3.585  1.00 25.06           C  
-ATOM   3415  CG1 ILE D  11      55.050 -10.227  -3.128  1.00 25.45           C  
-ATOM   3416  CG2 ILE D  11      53.795 -12.391  -2.949  1.00 25.22           C  
-ATOM   3417  CD1 ILE D  11      53.940  -9.360  -3.684  1.00 19.46           C  
-ATOM   3418  N   THR D  12      55.920 -14.473  -4.420  1.00 29.10           N  
-ATOM   3419  CA  THR D  12      55.680 -15.918  -4.524  1.00 31.07           C  
-ATOM   3420  C   THR D  12      56.850 -16.794  -4.042  1.00 27.68           C  
-ATOM   3421  O   THR D  12      56.647 -17.896  -3.530  1.00 24.89           O  
-ATOM   3422  CB  THR D  12      55.337 -16.306  -5.958  1.00 31.79           C  
-ATOM   3423  OG1 THR D  12      56.401 -15.896  -6.824  1.00 34.20           O  
-ATOM   3424  CG2 THR D  12      54.039 -15.641  -6.378  1.00 29.16           C  
-ATOM   3425  N   GLY D  13      58.073 -16.313  -4.207  1.00 21.45           N  
-ATOM   3426  CA  GLY D  13      59.197 -17.092  -3.736  1.00 22.05           C  
-ATOM   3427  C   GLY D  13      59.124 -17.207  -2.225  1.00 22.79           C  
-ATOM   3428  O   GLY D  13      59.028 -18.305  -1.683  1.00 28.98           O  
-ATOM   3429  N   LEU D  14      59.161 -16.062  -1.547  1.00 23.02           N  
-ATOM   3430  CA  LEU D  14      59.103 -16.012  -0.092  1.00 20.31           C  
-ATOM   3431  C   LEU D  14      57.897 -16.803   0.410  1.00 18.57           C  
-ATOM   3432  O   LEU D  14      57.957 -17.470   1.443  1.00 18.37           O  
-ATOM   3433  CB  LEU D  14      58.999 -14.555   0.395  1.00 17.25           C  
-ATOM   3434  CG  LEU D  14      59.331 -14.343   1.883  1.00 14.11           C  
-ATOM   3435  CD1 LEU D  14      60.825 -14.525   2.081  1.00 12.89           C  
-ATOM   3436  CD2 LEU D  14      58.935 -12.976   2.348  1.00  7.07           C  
-ATOM   3437  N   TRP D  15      56.804 -16.725  -0.331  1.00 16.92           N  
-ATOM   3438  CA  TRP D  15      55.597 -17.429   0.045  1.00 21.27           C  
-ATOM   3439  C   TRP D  15      55.885 -18.919   0.260  1.00 22.27           C  
-ATOM   3440  O   TRP D  15      55.493 -19.499   1.280  1.00 19.66           O  
-ATOM   3441  CB  TRP D  15      54.526 -17.254  -1.040  1.00 23.76           C  
-ATOM   3442  CG  TRP D  15      53.231 -17.906  -0.660  1.00 23.34           C  
-ATOM   3443  CD1 TRP D  15      52.542 -18.845  -1.365  1.00 20.73           C  
-ATOM   3444  CD2 TRP D  15      52.492 -17.683   0.540  1.00 22.01           C  
-ATOM   3445  NE1 TRP D  15      51.418 -19.225  -0.681  1.00 18.56           N  
-ATOM   3446  CE2 TRP D  15      51.363 -18.525   0.496  1.00 21.69           C  
-ATOM   3447  CE3 TRP D  15      52.674 -16.850   1.654  1.00 17.28           C  
-ATOM   3448  CZ2 TRP D  15      50.416 -18.562   1.525  1.00 17.04           C  
-ATOM   3449  CZ3 TRP D  15      51.733 -16.887   2.674  1.00 14.29           C  
-ATOM   3450  CH2 TRP D  15      50.618 -17.738   2.601  1.00 14.61           C  
-ATOM   3451  N   GLY D  16      56.572 -19.521  -0.710  1.00 22.76           N  
-ATOM   3452  CA  GLY D  16      56.916 -20.933  -0.648  1.00 18.86           C  
-ATOM   3453  C   GLY D  16      57.652 -21.345   0.608  1.00 16.70           C  
-ATOM   3454  O   GLY D  16      57.498 -22.473   1.064  1.00 14.24           O  
-ATOM   3455  N   LYS D  17      58.447 -20.437   1.164  1.00 18.46           N  
-ATOM   3456  CA  LYS D  17      59.199 -20.719   2.378  1.00 20.76           C  
-ATOM   3457  C   LYS D  17      58.364 -20.564   3.655  1.00 25.87           C  
-ATOM   3458  O   LYS D  17      58.521 -21.330   4.609  1.00 31.64           O  
-ATOM   3459  CB  LYS D  17      60.410 -19.789   2.488  1.00 18.71           C  
-ATOM   3460  CG  LYS D  17      61.661 -20.242   1.769  1.00 21.54           C  
-ATOM   3461  CD  LYS D  17      61.696 -19.744   0.351  1.00 23.26           C  
-ATOM   3462  CE  LYS D  17      63.089 -19.866  -0.202  1.00 24.99           C  
-ATOM   3463  NZ  LYS D  17      64.038 -19.143   0.676  1.00 30.54           N  
-ATOM   3464  N   VAL D  18      57.477 -19.577   3.668  1.00 23.26           N  
-ATOM   3465  CA  VAL D  18      56.668 -19.283   4.846  1.00 20.47           C  
-ATOM   3466  C   VAL D  18      55.947 -20.410   5.551  1.00 19.50           C  
-ATOM   3467  O   VAL D  18      55.171 -21.156   4.957  1.00 18.03           O  
-ATOM   3468  CB  VAL D  18      55.603 -18.221   4.543  1.00 21.82           C  
-ATOM   3469  CG1 VAL D  18      54.929 -17.773   5.832  1.00 16.73           C  
-ATOM   3470  CG2 VAL D  18      56.231 -17.062   3.827  1.00 21.41           C  
-ATOM   3471  N   ASN D  19      56.198 -20.495   6.847  1.00 19.02           N  
-ATOM   3472  CA  ASN D  19      55.538 -21.468   7.696  1.00 19.03           C  
-ATOM   3473  C   ASN D  19      54.315 -20.706   8.235  1.00 17.39           C  
-ATOM   3474  O   ASN D  19      54.387 -20.032   9.258  1.00 16.96           O  
-ATOM   3475  CB  ASN D  19      56.467 -21.848   8.841  1.00 19.76           C  
-ATOM   3476  CG  ASN D  19      55.881 -22.910   9.731  1.00 16.24           C  
-ATOM   3477  OD1 ASN D  19      54.673 -22.967   9.932  1.00 20.47           O  
-ATOM   3478  ND2 ASN D  19      56.735 -23.751  10.285  1.00 13.72           N  
-ATOM   3479  N   VAL D  20      53.194 -20.793   7.538  1.00 18.77           N  
-ATOM   3480  CA  VAL D  20      52.015 -20.060   7.974  1.00 21.88           C  
-ATOM   3481  C   VAL D  20      51.658 -20.320   9.440  1.00 20.31           C  
-ATOM   3482  O   VAL D  20      51.122 -19.451  10.108  1.00 24.49           O  
-ATOM   3483  CB  VAL D  20      50.765 -20.368   7.075  1.00 22.60           C  
-ATOM   3484  CG1 VAL D  20      51.143 -20.276   5.600  1.00 14.14           C  
-ATOM   3485  CG2 VAL D  20      50.179 -21.724   7.422  1.00 20.59           C  
-ATOM   3486  N   ALA D  21      51.973 -21.504   9.941  1.00 20.93           N  
-ATOM   3487  CA  ALA D  21      51.661 -21.861  11.324  1.00 21.58           C  
-ATOM   3488  C   ALA D  21      52.358 -20.998  12.380  1.00 21.47           C  
-ATOM   3489  O   ALA D  21      51.710 -20.415  13.256  1.00 19.23           O  
-ATOM   3490  CB  ALA D  21      52.000 -23.311  11.553  1.00 22.64           C  
-ATOM   3491  N   ASP D  22      53.681 -20.948  12.308  1.00 20.68           N  
-ATOM   3492  CA  ASP D  22      54.471 -20.158  13.236  1.00 26.50           C  
-ATOM   3493  C   ASP D  22      54.274 -18.665  13.025  1.00 26.66           C  
-ATOM   3494  O   ASP D  22      54.006 -17.928  13.967  1.00 29.45           O  
-ATOM   3495  CB  ASP D  22      55.952 -20.495  13.074  1.00 34.12           C  
-ATOM   3496  CG  ASP D  22      56.301 -21.852  13.639  1.00 45.00           C  
-ATOM   3497  OD1 ASP D  22      55.370 -22.673  13.797  1.00 52.67           O  
-ATOM   3498  OD2 ASP D  22      57.500 -22.103  13.918  1.00 47.93           O  
-ATOM   3499  N   CYS D  23      54.406 -18.220  11.785  1.00 24.28           N  
-ATOM   3500  CA  CYS D  23      54.256 -16.807  11.485  1.00 21.10           C  
-ATOM   3501  C   CYS D  23      52.871 -16.300  11.840  1.00 20.51           C  
-ATOM   3502  O   CYS D  23      52.736 -15.278  12.505  1.00 20.47           O  
-ATOM   3503  CB  CYS D  23      54.559 -16.544  10.006  1.00 22.10           C  
-ATOM   3504  SG  CYS D  23      56.293 -16.857   9.539  1.00 12.58           S  
-ATOM   3505  N   GLY D  24      51.845 -17.025  11.412  1.00 20.05           N  
-ATOM   3506  CA  GLY D  24      50.480 -16.619  11.704  1.00 19.27           C  
-ATOM   3507  C   GLY D  24      50.192 -16.456  13.181  1.00 13.68           C  
-ATOM   3508  O   GLY D  24      49.490 -15.539  13.584  1.00  8.79           O  
-ATOM   3509  N   ALA D  25      50.756 -17.343  13.992  1.00 18.05           N  
-ATOM   3510  CA  ALA D  25      50.544 -17.310  15.443  1.00 14.01           C  
-ATOM   3511  C   ALA D  25      51.287 -16.149  16.044  1.00  5.99           C  
-ATOM   3512  O   ALA D  25      50.731 -15.386  16.828  1.00  4.58           O  
-ATOM   3513  CB  ALA D  25      51.019 -18.614  16.073  1.00 19.12           C  
-ATOM   3514  N   GLU D  26      52.553 -16.044  15.670  1.00  3.36           N  
-ATOM   3515  CA  GLU D  26      53.431 -14.978  16.103  1.00  4.09           C  
-ATOM   3516  C   GLU D  26      52.767 -13.610  15.836  1.00 12.65           C  
-ATOM   3517  O   GLU D  26      52.791 -12.707  16.680  1.00 14.42           O  
-ATOM   3518  CB  GLU D  26      54.726 -15.056  15.312  1.00  6.00           C  
-ATOM   3519  CG  GLU D  26      55.770 -14.112  15.787  1.00 23.13           C  
-ATOM   3520  CD  GLU D  26      56.438 -14.639  17.017  1.00 35.15           C  
-ATOM   3521  OE1 GLU D  26      57.362 -15.462  16.864  1.00 42.65           O  
-ATOM   3522  OE2 GLU D  26      56.028 -14.258  18.138  1.00 40.91           O  
-ATOM   3523  N   ALA D  27      52.172 -13.460  14.655  1.00 13.38           N  
-ATOM   3524  CA  ALA D  27      51.529 -12.208  14.283  1.00 12.46           C  
-ATOM   3525  C   ALA D  27      50.285 -11.858  15.098  1.00 18.03           C  
-ATOM   3526  O   ALA D  27      50.254 -10.820  15.762  1.00 21.61           O  
-ATOM   3527  CB  ALA D  27      51.192 -12.222  12.805  1.00 12.16           C  
-ATOM   3528  N   LEU D  28      49.256 -12.704  15.058  1.00 20.36           N  
-ATOM   3529  CA  LEU D  28      48.032 -12.410  15.801  1.00 16.44           C  
-ATOM   3530  C   LEU D  28      48.344 -12.176  17.279  1.00 13.22           C  
-ATOM   3531  O   LEU D  28      47.695 -11.365  17.943  1.00  9.04           O  
-ATOM   3532  CB  LEU D  28      47.034 -13.546  15.672  1.00 16.45           C  
-ATOM   3533  CG  LEU D  28      45.618 -13.070  15.971  1.00 27.14           C  
-ATOM   3534  CD1 LEU D  28      45.051 -12.435  14.704  1.00 27.98           C  
-ATOM   3535  CD2 LEU D  28      44.750 -14.227  16.425  1.00 25.85           C  
-ATOM   3536  N   ALA D  29      49.345 -12.885  17.785  1.00  5.37           N  
-ATOM   3537  CA  ALA D  29      49.733 -12.721  19.168  1.00  6.81           C  
-ATOM   3538  C   ALA D  29      50.173 -11.276  19.356  1.00  6.89           C  
-ATOM   3539  O   ALA D  29      49.575 -10.513  20.122  1.00  3.36           O  
-ATOM   3540  CB  ALA D  29      50.878 -13.670  19.499  1.00  3.36           C  
-ATOM   3541  N   ARG D  30      51.225 -10.904  18.634  1.00  8.97           N  
-ATOM   3542  CA  ARG D  30      51.773  -9.565  18.725  1.00  8.48           C  
-ATOM   3543  C   ARG D  30      50.713  -8.469  18.569  1.00 12.23           C  
-ATOM   3544  O   ARG D  30      50.773  -7.438  19.251  1.00 10.80           O  
-ATOM   3545  CB  ARG D  30      52.890  -9.389  17.692  1.00  8.97           C  
-ATOM   3546  CG  ARG D  30      54.180 -10.113  18.067  1.00  8.76           C  
-ATOM   3547  CD  ARG D  30      55.231  -9.999  16.986  1.00  9.47           C  
-ATOM   3548  NE  ARG D  30      56.447 -10.721  17.330  1.00 10.65           N  
-ATOM   3549  CZ  ARG D  30      57.362 -10.278  18.180  1.00  9.21           C  
-ATOM   3550  NH1 ARG D  30      57.199  -9.111  18.775  1.00 14.39           N  
-ATOM   3551  NH2 ARG D  30      58.437 -11.001  18.435  1.00  3.36           N  
-ATOM   3552  N   LEU D  31      49.740  -8.675  17.688  1.00  9.58           N  
-ATOM   3553  CA  LEU D  31      48.714  -7.655  17.519  1.00 11.70           C  
-ATOM   3554  C   LEU D  31      47.994  -7.477  18.838  1.00 14.29           C  
-ATOM   3555  O   LEU D  31      47.864  -6.352  19.333  1.00 16.42           O  
-ATOM   3556  CB  LEU D  31      47.686  -8.037  16.450  1.00 13.24           C  
-ATOM   3557  CG  LEU D  31      46.549  -7.022  16.260  1.00 10.28           C  
-ATOM   3558  CD1 LEU D  31      47.008  -5.887  15.353  1.00 11.48           C  
-ATOM   3559  CD2 LEU D  31      45.342  -7.705  15.659  1.00  9.10           C  
-ATOM   3560  N   LEU D  32      47.530  -8.586  19.414  1.00 11.86           N  
-ATOM   3561  CA  LEU D  32      46.812  -8.515  20.674  1.00  4.44           C  
-ATOM   3562  C   LEU D  32      47.667  -7.895  21.759  1.00  3.36           C  
-ATOM   3563  O   LEU D  32      47.181  -7.098  22.543  1.00  3.97           O  
-ATOM   3564  CB  LEU D  32      46.336  -9.897  21.110  1.00  3.36           C  
-ATOM   3565  CG  LEU D  32      45.463 -10.669  20.116  1.00  4.86           C  
-ATOM   3566  CD1 LEU D  32      45.229 -12.039  20.638  1.00 10.78           C  
-ATOM   3567  CD2 LEU D  32      44.145 -10.000  19.896  1.00 10.04           C  
-ATOM   3568  N   ILE D  33      48.948  -8.216  21.789  1.00  3.36           N  
-ATOM   3569  CA  ILE D  33      49.815  -7.678  22.836  1.00  9.19           C  
-ATOM   3570  C   ILE D  33      50.193  -6.189  22.744  1.00 11.59           C  
-ATOM   3571  O   ILE D  33      50.200  -5.466  23.740  1.00 12.23           O  
-ATOM   3572  CB  ILE D  33      51.097  -8.544  22.946  1.00  6.62           C  
-ATOM   3573  CG1 ILE D  33      50.688  -9.963  23.351  1.00  9.27           C  
-ATOM   3574  CG2 ILE D  33      52.078  -7.943  23.960  1.00  3.36           C  
-ATOM   3575  CD1 ILE D  33      51.717 -11.011  23.091  1.00 12.09           C  
-ATOM   3576  N   VAL D  34      50.502  -5.731  21.545  1.00 13.18           N  
-ATOM   3577  CA  VAL D  34      50.900  -4.349  21.346  1.00 10.72           C  
-ATOM   3578  C   VAL D  34      49.722  -3.371  21.339  1.00 10.76           C  
-ATOM   3579  O   VAL D  34      49.796  -2.295  21.932  1.00  8.10           O  
-ATOM   3580  CB  VAL D  34      51.697  -4.231  20.031  1.00  7.08           C  
-ATOM   3581  CG1 VAL D  34      52.050  -2.777  19.745  1.00  3.91           C  
-ATOM   3582  CG2 VAL D  34      52.942  -5.107  20.132  1.00  4.41           C  
-ATOM   3583  N   TYR D  35      48.644  -3.753  20.664  1.00  7.90           N  
-ATOM   3584  CA  TYR D  35      47.459  -2.924  20.565  1.00  3.36           C  
-ATOM   3585  C   TYR D  35      46.322  -3.633  21.275  1.00  7.77           C  
-ATOM   3586  O   TYR D  35      45.413  -4.167  20.651  1.00  3.59           O  
-ATOM   3587  CB  TYR D  35      47.114  -2.704  19.105  1.00  3.82           C  
-ATOM   3588  CG  TYR D  35      48.292  -2.252  18.291  1.00  7.61           C  
-ATOM   3589  CD1 TYR D  35      49.009  -1.116  18.642  1.00  8.59           C  
-ATOM   3590  CD2 TYR D  35      48.710  -2.978  17.172  1.00 18.21           C  
-ATOM   3591  CE1 TYR D  35      50.120  -0.709  17.900  1.00 14.75           C  
-ATOM   3592  CE2 TYR D  35      49.821  -2.578  16.415  1.00 15.92           C  
-ATOM   3593  CZ  TYR D  35      50.514  -1.445  16.790  1.00 15.19           C  
-ATOM   3594  OH  TYR D  35      51.595  -1.043  16.063  1.00 12.62           O  
-ATOM   3595  N   PRO D  36      46.360  -3.621  22.616  1.00 12.40           N  
-ATOM   3596  CA  PRO D  36      45.404  -4.232  23.534  1.00 10.16           C  
-ATOM   3597  C   PRO D  36      43.934  -4.162  23.154  1.00 12.50           C  
-ATOM   3598  O   PRO D  36      43.218  -5.158  23.264  1.00 15.07           O  
-ATOM   3599  CB  PRO D  36      45.687  -3.506  24.841  1.00 12.09           C  
-ATOM   3600  CG  PRO D  36      47.152  -3.235  24.742  1.00 11.58           C  
-ATOM   3601  CD  PRO D  36      47.289  -2.744  23.355  1.00 10.71           C  
-ATOM   3602  N   TRP D  37      43.476  -3.001  22.702  1.00 13.18           N  
-ATOM   3603  CA  TRP D  37      42.062  -2.853  22.373  1.00 13.80           C  
-ATOM   3604  C   TRP D  37      41.530  -3.875  21.390  1.00 12.76           C  
-ATOM   3605  O   TRP D  37      40.354  -4.192  21.411  1.00 14.67           O  
-ATOM   3606  CB  TRP D  37      41.762  -1.434  21.880  1.00  9.85           C  
-ATOM   3607  CG  TRP D  37      42.420  -1.053  20.608  1.00  8.71           C  
-ATOM   3608  CD1 TRP D  37      41.947  -1.253  19.333  1.00  4.57           C  
-ATOM   3609  CD2 TRP D  37      43.676  -0.405  20.471  1.00  4.24           C  
-ATOM   3610  NE1 TRP D  37      42.840  -0.767  18.420  1.00  3.36           N  
-ATOM   3611  CE2 TRP D  37      43.909  -0.236  19.088  1.00  3.36           C  
-ATOM   3612  CE3 TRP D  37      44.632   0.058  21.385  1.00  4.65           C  
-ATOM   3613  CZ2 TRP D  37      45.048   0.373  18.601  1.00  3.36           C  
-ATOM   3614  CZ3 TRP D  37      45.771   0.668  20.899  1.00  3.36           C  
-ATOM   3615  CH2 TRP D  37      45.969   0.820  19.521  1.00  5.60           C  
-ATOM   3616  N   THR D  38      42.398  -4.407  20.540  1.00 18.58           N  
-ATOM   3617  CA  THR D  38      41.979  -5.409  19.558  1.00 16.30           C  
-ATOM   3618  C   THR D  38      41.438  -6.671  20.230  1.00 17.49           C  
-ATOM   3619  O   THR D  38      40.692  -7.447  19.609  1.00 11.16           O  
-ATOM   3620  CB  THR D  38      43.142  -5.843  18.654  1.00 13.06           C  
-ATOM   3621  OG1 THR D  38      44.235  -6.296  19.465  1.00 12.66           O  
-ATOM   3622  CG2 THR D  38      43.582  -4.706  17.778  1.00  9.96           C  
-ATOM   3623  N   GLN D  39      41.833  -6.884  21.486  1.00 15.39           N  
-ATOM   3624  CA  GLN D  39      41.375  -8.055  22.225  1.00 18.50           C  
-ATOM   3625  C   GLN D  39      39.849  -8.123  22.259  1.00 16.96           C  
-ATOM   3626  O   GLN D  39      39.261  -9.193  22.269  1.00 17.44           O  
-ATOM   3627  CB  GLN D  39      41.918  -8.022  23.645  1.00 15.50           C  
-ATOM   3628  CG  GLN D  39      43.384  -8.351  23.728  1.00 14.08           C  
-ATOM   3629  CD  GLN D  39      43.884  -8.258  25.148  1.00 14.86           C  
-ATOM   3630  OE1 GLN D  39      43.122  -8.461  26.098  1.00 20.14           O  
-ATOM   3631  NE2 GLN D  39      45.164  -7.963  25.308  1.00  3.36           N  
-ATOM   3632  N   ARG D  40      39.215  -6.966  22.260  1.00 15.24           N  
-ATOM   3633  CA  ARG D  40      37.776  -6.907  22.293  1.00 20.60           C  
-ATOM   3634  C   ARG D  40      37.071  -7.790  21.264  1.00 25.28           C  
-ATOM   3635  O   ARG D  40      36.020  -8.360  21.552  1.00 25.77           O  
-ATOM   3636  CB  ARG D  40      37.330  -5.468  22.093  1.00 23.11           C  
-ATOM   3637  CG  ARG D  40      36.055  -5.142  22.812  1.00 33.59           C  
-ATOM   3638  CD  ARG D  40      35.708  -3.710  22.589  1.00 32.70           C  
-ATOM   3639  NE  ARG D  40      34.889  -3.550  21.399  1.00 39.94           N  
-ATOM   3640  CZ  ARG D  40      33.561  -3.486  21.428  1.00 41.48           C  
-ATOM   3641  NH1 ARG D  40      32.927  -3.574  22.597  1.00 41.34           N  
-ATOM   3642  NH2 ARG D  40      32.872  -3.307  20.299  1.00 41.04           N  
-ATOM   3643  N   PHE D  41      37.631  -7.895  20.063  1.00 31.00           N  
-ATOM   3644  CA  PHE D  41      36.999  -8.690  19.014  1.00 31.70           C  
-ATOM   3645  C   PHE D  41      37.228 -10.186  19.173  1.00 34.56           C  
-ATOM   3646  O   PHE D  41      36.680 -10.985  18.408  1.00 37.64           O  
-ATOM   3647  CB  PHE D  41      37.508  -8.273  17.634  1.00 33.75           C  
-ATOM   3648  CG  PHE D  41      37.216  -6.852  17.273  1.00 35.01           C  
-ATOM   3649  CD1 PHE D  41      38.094  -5.833  17.639  1.00 35.19           C  
-ATOM   3650  CD2 PHE D  41      36.074  -6.533  16.536  1.00 35.87           C  
-ATOM   3651  CE1 PHE D  41      37.843  -4.514  17.271  1.00 35.79           C  
-ATOM   3652  CE2 PHE D  41      35.809  -5.222  16.163  1.00 36.18           C  
-ATOM   3653  CZ  PHE D  41      36.698  -4.208  16.530  1.00 39.71           C  
-ATOM   3654  N   PHE D  42      38.038 -10.565  20.156  1.00 32.77           N  
-ATOM   3655  CA  PHE D  42      38.343 -11.972  20.381  1.00 35.02           C  
-ATOM   3656  C   PHE D  42      37.994 -12.422  21.792  1.00 39.09           C  
-ATOM   3657  O   PHE D  42      38.714 -13.207  22.413  1.00 42.27           O  
-ATOM   3658  CB  PHE D  42      39.826 -12.236  20.098  1.00 33.96           C  
-ATOM   3659  CG  PHE D  42      40.226 -11.958  18.676  1.00 35.39           C  
-ATOM   3660  CD1 PHE D  42      41.155 -10.965  18.383  1.00 33.60           C  
-ATOM   3661  CD2 PHE D  42      39.639 -12.661  17.626  1.00 37.08           C  
-ATOM   3662  CE1 PHE D  42      41.489 -10.675  17.069  1.00 34.40           C  
-ATOM   3663  CE2 PHE D  42      39.970 -12.375  16.304  1.00 37.66           C  
-ATOM   3664  CZ  PHE D  42      40.894 -11.382  16.028  1.00 35.39           C  
-ATOM   3665  N   SER D  43      36.878 -11.920  22.298  1.00 40.99           N  
-ATOM   3666  CA  SER D  43      36.426 -12.278  23.630  1.00 39.60           C  
-ATOM   3667  C   SER D  43      36.180 -13.785  23.717  1.00 38.39           C  
-ATOM   3668  O   SER D  43      36.311 -14.389  24.784  1.00 39.41           O  
-ATOM   3669  CB  SER D  43      35.141 -11.519  23.930  1.00 42.73           C  
-ATOM   3670  OG  SER D  43      34.237 -11.638  22.841  1.00 44.00           O  
-ATOM   3671  N   SER D  44      35.846 -14.388  22.580  1.00 35.93           N  
-ATOM   3672  CA  SER D  44      35.562 -15.816  22.511  1.00 33.15           C  
-ATOM   3673  C   SER D  44      36.792 -16.706  22.589  1.00 29.80           C  
-ATOM   3674  O   SER D  44      36.691 -17.904  22.370  1.00 31.71           O  
-ATOM   3675  CB  SER D  44      34.833 -16.134  21.210  1.00 33.54           C  
-ATOM   3676  OG  SER D  44      35.727 -16.040  20.110  1.00 38.60           O  
-ATOM   3677  N   PHE D  45      37.957 -16.147  22.887  1.00 29.70           N  
-ATOM   3678  CA  PHE D  45      39.159 -16.977  22.928  1.00 26.54           C  
-ATOM   3679  C   PHE D  45      39.623 -17.274  24.335  1.00 30.12           C  
-ATOM   3680  O   PHE D  45      40.746 -17.764  24.554  1.00 23.72           O  
-ATOM   3681  CB  PHE D  45      40.307 -16.331  22.132  1.00 25.31           C  
-ATOM   3682  CG  PHE D  45      40.086 -16.317  20.635  1.00 23.08           C  
-ATOM   3683  CD1 PHE D  45      41.155 -16.112  19.766  1.00 21.25           C  
-ATOM   3684  CD2 PHE D  45      38.802 -16.469  20.093  1.00 24.55           C  
-ATOM   3685  CE1 PHE D  45      40.953 -16.054  18.370  1.00 23.72           C  
-ATOM   3686  CE2 PHE D  45      38.586 -16.412  18.702  1.00 27.03           C  
-ATOM   3687  CZ  PHE D  45      39.669 -16.204  17.837  1.00 21.45           C  
-ATOM   3688  N   GLY D  46      38.766 -16.972  25.304  1.00 32.83           N  
-ATOM   3689  CA  GLY D  46      39.146 -17.256  26.674  1.00 34.40           C  
-ATOM   3690  C   GLY D  46      40.265 -16.389  27.217  1.00 35.39           C  
-ATOM   3691  O   GLY D  46      40.239 -15.161  27.068  1.00 37.85           O  
-ATOM   3692  N   ASN D  47      41.262 -17.015  27.832  1.00 32.76           N  
-ATOM   3693  CA  ASN D  47      42.324 -16.230  28.434  1.00 38.82           C  
-ATOM   3694  C   ASN D  47      43.238 -15.500  27.484  1.00 38.26           C  
-ATOM   3695  O   ASN D  47      43.748 -16.065  26.522  1.00 39.53           O  
-ATOM   3696  CB  ASN D  47      43.191 -17.063  29.381  1.00 41.60           C  
-ATOM   3697  CG  ASN D  47      44.120 -16.189  30.229  1.00 46.05           C  
-ATOM   3698  OD1 ASN D  47      43.718 -15.650  31.263  1.00 47.62           O  
-ATOM   3699  ND2 ASN D  47      45.357 -16.027  29.775  1.00 46.20           N  
-ATOM   3700  N   LEU D  48      43.439 -14.229  27.812  1.00 36.54           N  
-ATOM   3701  CA  LEU D  48      44.289 -13.301  27.094  1.00 33.35           C  
-ATOM   3702  C   LEU D  48      44.775 -12.413  28.235  1.00 35.05           C  
-ATOM   3703  O   LEU D  48      45.076 -11.235  28.064  1.00 34.14           O  
-ATOM   3704  CB  LEU D  48      43.446 -12.503  26.101  1.00 25.36           C  
-ATOM   3705  CG  LEU D  48      42.749 -13.364  25.051  1.00 22.46           C  
-ATOM   3706  CD1 LEU D  48      41.850 -12.487  24.206  1.00 22.85           C  
-ATOM   3707  CD2 LEU D  48      43.794 -14.068  24.182  1.00 24.91           C  
-ATOM   3708  N   SER D  49      44.837 -13.014  29.415  1.00 37.11           N  
-ATOM   3709  CA  SER D  49      45.222 -12.301  30.621  1.00 40.24           C  
-ATOM   3710  C   SER D  49      46.626 -11.732  30.616  1.00 39.29           C  
-ATOM   3711  O   SER D  49      46.879 -10.722  31.270  1.00 39.52           O  
-ATOM   3712  CB  SER D  49      45.053 -13.205  31.845  1.00 39.80           C  
-ATOM   3713  OG  SER D  49      45.343 -12.495  33.036  1.00 37.50           O  
-ATOM   3714  N   SER D  50      47.544 -12.370  29.901  1.00 35.90           N  
-ATOM   3715  CA  SER D  50      48.914 -11.871  29.882  1.00 36.59           C  
-ATOM   3716  C   SER D  50      49.624 -12.141  28.561  1.00 34.54           C  
-ATOM   3717  O   SER D  50      49.207 -13.002  27.779  1.00 35.95           O  
-ATOM   3718  CB  SER D  50      49.717 -12.491  31.033  1.00 38.24           C  
-ATOM   3719  OG  SER D  50      49.955 -13.869  30.803  1.00 48.82           O  
-ATOM   3720  N   PRO D  51      50.711 -11.404  28.293  1.00 29.53           N  
-ATOM   3721  CA  PRO D  51      51.439 -11.617  27.044  1.00 31.14           C  
-ATOM   3722  C   PRO D  51      51.670 -13.101  26.878  1.00 34.90           C  
-ATOM   3723  O   PRO D  51      51.094 -13.750  26.003  1.00 34.46           O  
-ATOM   3724  CB  PRO D  51      52.753 -10.881  27.273  1.00 28.57           C  
-ATOM   3725  CG  PRO D  51      52.367  -9.792  28.212  1.00 28.83           C  
-ATOM   3726  CD  PRO D  51      51.442 -10.484  29.176  1.00 26.61           C  
-ATOM   3727  N   THR D  52      52.507 -13.631  27.764  1.00 42.25           N  
-ATOM   3728  CA  THR D  52      52.868 -15.042  27.752  1.00 44.47           C  
-ATOM   3729  C   THR D  52      51.636 -15.973  27.795  1.00 41.12           C  
-ATOM   3730  O   THR D  52      51.681 -17.105  27.299  1.00 43.89           O  
-ATOM   3731  CB  THR D  52      53.862 -15.341  28.913  1.00 45.43           C  
-ATOM   3732  OG1 THR D  52      54.493 -16.607  28.684  1.00 49.31           O  
-ATOM   3733  CG2 THR D  52      53.151 -15.332  30.264  1.00 42.42           C  
-ATOM   3734  N   ALA D  53      50.535 -15.490  28.358  1.00 30.37           N  
-ATOM   3735  CA  ALA D  53      49.329 -16.286  28.406  1.00 28.75           C  
-ATOM   3736  C   ALA D  53      48.698 -16.296  27.019  1.00 33.38           C  
-ATOM   3737  O   ALA D  53      47.819 -17.118  26.727  1.00 33.21           O  
-ATOM   3738  CB  ALA D  53      48.364 -15.699  29.399  1.00 29.68           C  
-ATOM   3739  N   ILE D  54      49.149 -15.370  26.169  1.00 36.64           N  
-ATOM   3740  CA  ILE D  54      48.635 -15.242  24.798  1.00 38.80           C  
-ATOM   3741  C   ILE D  54      49.412 -16.059  23.761  1.00 39.85           C  
-ATOM   3742  O   ILE D  54      48.812 -16.659  22.853  1.00 41.39           O  
-ATOM   3743  CB  ILE D  54      48.612 -13.762  24.338  1.00 33.14           C  
-ATOM   3744  CG1 ILE D  54      47.592 -12.985  25.169  1.00 33.31           C  
-ATOM   3745  CG2 ILE D  54      48.258 -13.671  22.852  1.00 32.03           C  
-ATOM   3746  CD1 ILE D  54      47.440 -11.548  24.752  1.00 30.78           C  
-ATOM   3747  N   LEU D  55      50.737 -16.066  23.879  1.00 38.31           N  
-ATOM   3748  CA  LEU D  55      51.552 -16.832  22.946  1.00 41.00           C  
-ATOM   3749  C   LEU D  55      51.062 -18.276  22.924  1.00 42.39           C  
-ATOM   3750  O   LEU D  55      50.951 -18.893  21.858  1.00 45.12           O  
-ATOM   3751  CB  LEU D  55      53.026 -16.820  23.360  1.00 40.04           C  
-ATOM   3752  CG  LEU D  55      53.825 -15.513  23.301  1.00 39.20           C  
-ATOM   3753  CD1 LEU D  55      53.440 -14.734  22.060  1.00 35.73           C  
-ATOM   3754  CD2 LEU D  55      53.567 -14.689  24.543  1.00 39.26           C  
-ATOM   3755  N   GLY D  56      50.750 -18.794  24.112  1.00 39.87           N  
-ATOM   3756  CA  GLY D  56      50.290 -20.162  24.239  1.00 34.34           C  
-ATOM   3757  C   GLY D  56      48.891 -20.469  23.747  1.00 34.35           C  
-ATOM   3758  O   GLY D  56      48.651 -21.536  23.173  1.00 35.85           O  
-ATOM   3759  N   ASN D  57      47.956 -19.554  23.970  1.00 34.71           N  
-ATOM   3760  CA  ASN D  57      46.578 -19.788  23.545  1.00 35.48           C  
-ATOM   3761  C   ASN D  57      46.518 -20.347  22.118  1.00 35.43           C  
-ATOM   3762  O   ASN D  57      46.859 -19.665  21.161  1.00 37.23           O  
-ATOM   3763  CB  ASN D  57      45.770 -18.497  23.656  1.00 28.72           C  
-ATOM   3764  CG  ASN D  57      44.312 -18.703  23.342  1.00 28.61           C  
-ATOM   3765  OD1 ASN D  57      43.476 -17.845  23.637  1.00 33.05           O  
-ATOM   3766  ND2 ASN D  57      43.991 -19.844  22.734  1.00 24.37           N  
-ATOM   3767  N   PRO D  58      46.086 -21.610  21.978  1.00 37.33           N  
-ATOM   3768  CA  PRO D  58      45.935 -22.387  20.745  1.00 36.91           C  
-ATOM   3769  C   PRO D  58      44.831 -21.886  19.824  1.00 36.30           C  
-ATOM   3770  O   PRO D  58      44.764 -22.276  18.659  1.00 38.38           O  
-ATOM   3771  CB  PRO D  58      45.635 -23.782  21.266  1.00 41.23           C  
-ATOM   3772  CG  PRO D  58      44.778 -23.481  22.453  1.00 43.18           C  
-ATOM   3773  CD  PRO D  58      45.600 -22.395  23.127  1.00 41.30           C  
-ATOM   3774  N   MET D  59      43.945 -21.056  20.354  1.00 33.83           N  
-ATOM   3775  CA  MET D  59      42.881 -20.496  19.541  1.00 36.68           C  
-ATOM   3776  C   MET D  59      43.495 -19.334  18.764  1.00 38.39           C  
-ATOM   3777  O   MET D  59      43.171 -19.081  17.590  1.00 38.04           O  
-ATOM   3778  CB  MET D  59      41.758 -20.005  20.438  1.00 40.17           C  
-ATOM   3779  CG  MET D  59      40.740 -21.066  20.721  1.00 48.16           C  
-ATOM   3780  SD  MET D  59      39.458 -21.086  19.458  1.00 58.31           S  
-ATOM   3781  CE  MET D  59      40.438 -21.571  17.996  1.00 53.80           C  
-ATOM   3782  N   VAL D  60      44.396 -18.638  19.452  1.00 35.39           N  
-ATOM   3783  CA  VAL D  60      45.119 -17.515  18.894  1.00 34.38           C  
-ATOM   3784  C   VAL D  60      45.966 -18.099  17.773  1.00 33.99           C  
-ATOM   3785  O   VAL D  60      45.879 -17.674  16.619  1.00 35.76           O  
-ATOM   3786  CB  VAL D  60      46.038 -16.881  19.973  1.00 33.07           C  
-ATOM   3787  CG1 VAL D  60      46.961 -15.843  19.345  1.00 35.36           C  
-ATOM   3788  CG2 VAL D  60      45.186 -16.236  21.058  1.00 31.07           C  
-ATOM   3789  N   ARG D  61      46.769 -19.097  18.135  1.00 33.90           N  
-ATOM   3790  CA  ARG D  61      47.656 -19.790  17.209  1.00 31.01           C  
-ATOM   3791  C   ARG D  61      46.901 -20.369  16.010  1.00 29.68           C  
-ATOM   3792  O   ARG D  61      47.360 -20.269  14.866  1.00 30.62           O  
-ATOM   3793  CB  ARG D  61      48.406 -20.895  17.955  1.00 26.90           C  
-ATOM   3794  CG  ARG D  61      49.276 -20.370  19.096  1.00 29.52           C  
-ATOM   3795  CD  ARG D  61      50.059 -21.496  19.749  1.00 40.70           C  
-ATOM   3796  NE  ARG D  61      50.838 -22.238  18.759  1.00 49.57           N  
-ATOM   3797  CZ  ARG D  61      51.893 -21.746  18.118  1.00 55.50           C  
-ATOM   3798  NH1 ARG D  61      52.302 -20.507  18.374  1.00 60.89           N  
-ATOM   3799  NH2 ARG D  61      52.522 -22.478  17.202  1.00 53.52           N  
-ATOM   3800  N   ALA D  62      45.742 -20.961  16.269  1.00 26.29           N  
-ATOM   3801  CA  ALA D  62      44.929 -21.531  15.204  1.00 27.67           C  
-ATOM   3802  C   ALA D  62      44.471 -20.442  14.220  1.00 31.02           C  
-ATOM   3803  O   ALA D  62      44.739 -20.525  13.012  1.00 28.99           O  
-ATOM   3804  CB  ALA D  62      43.726 -22.239  15.806  1.00 30.13           C  
-ATOM   3805  N   HIS D  63      43.781 -19.427  14.748  1.00 31.14           N  
-ATOM   3806  CA  HIS D  63      43.279 -18.306  13.946  1.00 26.91           C  
-ATOM   3807  C   HIS D  63      44.450 -17.593  13.239  1.00 26.04           C  
-ATOM   3808  O   HIS D  63      44.326 -17.119  12.097  1.00 23.18           O  
-ATOM   3809  CB  HIS D  63      42.537 -17.328  14.862  1.00 26.01           C  
-ATOM   3810  CG  HIS D  63      41.892 -16.188  14.137  1.00 28.20           C  
-ATOM   3811  ND1 HIS D  63      40.755 -16.341  13.373  1.00 24.42           N  
-ATOM   3812  CD2 HIS D  63      42.251 -14.885  14.025  1.00 27.30           C  
-ATOM   3813  CE1 HIS D  63      40.442 -15.184  12.819  1.00 30.08           C  
-ATOM   3814  NE2 HIS D  63      41.335 -14.284  13.198  1.00 34.75           N  
-ATOM   3815  N   GLY D  64      45.585 -17.524  13.936  1.00 23.16           N  
-ATOM   3816  CA  GLY D  64      46.770 -16.900  13.383  1.00 22.49           C  
-ATOM   3817  C   GLY D  64      47.092 -17.478  12.024  1.00 24.92           C  
-ATOM   3818  O   GLY D  64      47.222 -16.741  11.048  1.00 24.17           O  
-ATOM   3819  N   LYS D  65      47.205 -18.804  11.957  1.00 26.36           N  
-ATOM   3820  CA  LYS D  65      47.508 -19.475  10.700  1.00 26.92           C  
-ATOM   3821  C   LYS D  65      46.352 -19.351   9.703  1.00 24.50           C  
-ATOM   3822  O   LYS D  65      46.561 -19.305   8.489  1.00 23.46           O  
-ATOM   3823  CB  LYS D  65      47.832 -20.956  10.935  1.00 30.25           C  
-ATOM   3824  CG  LYS D  65      46.621 -21.827  11.221  1.00 41.76           C  
-ATOM   3825  CD  LYS D  65      46.844 -23.267  10.757  1.00 46.96           C  
-ATOM   3826  CE  LYS D  65      46.863 -23.368   9.229  1.00 54.00           C  
-ATOM   3827  NZ  LYS D  65      47.136 -24.754   8.761  1.00 55.25           N  
-ATOM   3828  N   LYS D  66      45.128 -19.298  10.207  1.00 27.98           N  
-ATOM   3829  CA  LYS D  66      43.991 -19.172   9.311  1.00 32.82           C  
-ATOM   3830  C   LYS D  66      44.101 -17.819   8.594  1.00 31.38           C  
-ATOM   3831  O   LYS D  66      43.965 -17.742   7.361  1.00 27.29           O  
-ATOM   3832  CB  LYS D  66      42.673 -19.269  10.090  1.00 33.51           C  
-ATOM   3833  CG  LYS D  66      41.514 -19.823   9.262  1.00 41.04           C  
-ATOM   3834  CD  LYS D  66      40.142 -19.535   9.903  1.00 49.29           C  
-ATOM   3835  CE  LYS D  66      39.926 -20.246  11.243  1.00 49.83           C  
-ATOM   3836  NZ  LYS D  66      39.644 -21.709  11.086  1.00 50.94           N  
-ATOM   3837  N   VAL D  67      44.369 -16.763   9.366  1.00 28.97           N  
-ATOM   3838  CA  VAL D  67      44.497 -15.421   8.800  1.00 26.66           C  
-ATOM   3839  C   VAL D  67      45.605 -15.373   7.768  1.00 26.85           C  
-ATOM   3840  O   VAL D  67      45.432 -14.778   6.697  1.00 29.28           O  
-ATOM   3841  CB  VAL D  67      44.810 -14.347   9.884  1.00 26.68           C  
-ATOM   3842  CG1 VAL D  67      45.526 -13.148   9.249  1.00 14.32           C  
-ATOM   3843  CG2 VAL D  67      43.522 -13.872  10.540  1.00 25.43           C  
-ATOM   3844  N   LEU D  68      46.735 -16.006   8.085  1.00 26.20           N  
-ATOM   3845  CA  LEU D  68      47.886 -16.001   7.186  1.00 26.69           C  
-ATOM   3846  C   LEU D  68      47.701 -16.778   5.879  1.00 27.98           C  
-ATOM   3847  O   LEU D  68      48.172 -16.349   4.823  1.00 29.59           O  
-ATOM   3848  CB  LEU D  68      49.120 -16.493   7.936  1.00 18.34           C  
-ATOM   3849  CG  LEU D  68      50.461 -16.288   7.221  1.00 20.98           C  
-ATOM   3850  CD1 LEU D  68      50.550 -14.935   6.584  1.00  6.93           C  
-ATOM   3851  CD2 LEU D  68      51.576 -16.460   8.239  1.00 24.14           C  
-ATOM   3852  N   THR D  69      47.010 -17.911   5.938  1.00 31.70           N  
-ATOM   3853  CA  THR D  69      46.773 -18.700   4.730  1.00 32.13           C  
-ATOM   3854  C   THR D  69      45.812 -17.985   3.772  1.00 29.90           C  
-ATOM   3855  O   THR D  69      45.713 -18.352   2.594  1.00 31.01           O  
-ATOM   3856  CB  THR D  69      46.210 -20.097   5.077  1.00 33.53           C  
-ATOM   3857  OG1 THR D  69      45.198 -19.964   6.085  1.00 39.88           O  
-ATOM   3858  CG2 THR D  69      47.314 -21.008   5.590  1.00 29.92           C  
-ATOM   3859  N   SER D  70      45.100 -16.973   4.272  1.00 24.77           N  
-ATOM   3860  CA  SER D  70      44.187 -16.223   3.420  1.00 23.54           C  
-ATOM   3861  C   SER D  70      45.057 -15.480   2.400  1.00 24.66           C  
-ATOM   3862  O   SER D  70      44.691 -15.325   1.229  1.00 16.01           O  
-ATOM   3863  CB  SER D  70      43.370 -15.225   4.248  1.00 22.49           C  
-ATOM   3864  OG  SER D  70      44.176 -14.159   4.709  1.00 17.79           O  
-ATOM   3865  N   PHE D  71      46.223 -15.028   2.855  1.00 25.85           N  
-ATOM   3866  CA  PHE D  71      47.135 -14.329   1.969  1.00 26.39           C  
-ATOM   3867  C   PHE D  71      47.513 -15.278   0.851  1.00 23.61           C  
-ATOM   3868  O   PHE D  71      47.950 -14.859  -0.215  1.00 19.70           O  
-ATOM   3869  CB  PHE D  71      48.378 -13.859   2.728  1.00 26.04           C  
-ATOM   3870  CG  PHE D  71      48.151 -12.609   3.530  1.00 25.78           C  
-ATOM   3871  CD1 PHE D  71      47.414 -12.649   4.702  1.00 19.50           C  
-ATOM   3872  CD2 PHE D  71      48.652 -11.382   3.089  1.00 25.61           C  
-ATOM   3873  CE1 PHE D  71      47.178 -11.488   5.421  1.00 22.28           C  
-ATOM   3874  CE2 PHE D  71      48.419 -10.214   3.805  1.00 19.51           C  
-ATOM   3875  CZ  PHE D  71      47.682 -10.268   4.971  1.00 19.89           C  
-ATOM   3876  N   GLY D  72      47.339 -16.566   1.113  1.00 26.37           N  
-ATOM   3877  CA  GLY D  72      47.633 -17.569   0.112  1.00 26.99           C  
-ATOM   3878  C   GLY D  72      46.759 -17.341  -1.110  1.00 29.59           C  
-ATOM   3879  O   GLY D  72      47.205 -17.551  -2.238  1.00 24.64           O  
-ATOM   3880  N   ASP D  73      45.514 -16.910  -0.893  1.00 32.35           N  
-ATOM   3881  CA  ASP D  73      44.600 -16.643  -2.007  1.00 31.59           C  
-ATOM   3882  C   ASP D  73      44.956 -15.305  -2.645  1.00 28.11           C  
-ATOM   3883  O   ASP D  73      44.618 -15.049  -3.801  1.00 27.06           O  
-ATOM   3884  CB  ASP D  73      43.151 -16.596  -1.532  1.00 36.79           C  
-ATOM   3885  CG  ASP D  73      42.794 -17.768  -0.659  1.00 43.43           C  
-ATOM   3886  OD1 ASP D  73      43.134 -18.911  -1.037  1.00 46.28           O  
-ATOM   3887  OD2 ASP D  73      42.173 -17.543   0.405  1.00 47.79           O  
-ATOM   3888  N   ALA D  74      45.625 -14.446  -1.885  1.00 23.06           N  
-ATOM   3889  CA  ALA D  74      46.034 -13.165  -2.422  1.00 21.64           C  
-ATOM   3890  C   ALA D  74      47.138 -13.459  -3.438  1.00 25.93           C  
-ATOM   3891  O   ALA D  74      47.016 -13.092  -4.603  1.00 28.94           O  
-ATOM   3892  CB  ALA D  74      46.552 -12.263  -1.314  1.00 21.13           C  
-ATOM   3893  N   VAL D  75      48.201 -14.131  -2.991  1.00 25.95           N  
-ATOM   3894  CA  VAL D  75      49.323 -14.504  -3.855  1.00 25.82           C  
-ATOM   3895  C   VAL D  75      48.828 -15.306  -5.066  1.00 29.35           C  
-ATOM   3896  O   VAL D  75      49.458 -15.312  -6.124  1.00 28.86           O  
-ATOM   3897  CB  VAL D  75      50.342 -15.355  -3.088  1.00 20.82           C  
-ATOM   3898  CG1 VAL D  75      51.500 -15.724  -3.986  1.00 21.35           C  
-ATOM   3899  CG2 VAL D  75      50.820 -14.601  -1.872  1.00 19.31           C  
-ATOM   3900  N   LYS D  76      47.685 -15.965  -4.883  1.00 35.20           N  
-ATOM   3901  CA  LYS D  76      47.003 -16.780  -5.897  1.00 39.55           C  
-ATOM   3902  C   LYS D  76      46.828 -16.065  -7.247  1.00 44.44           C  
-ATOM   3903  O   LYS D  76      47.134 -16.622  -8.302  1.00 46.93           O  
-ATOM   3904  CB  LYS D  76      45.619 -17.187  -5.358  1.00 41.87           C  
-ATOM   3905  CG  LYS D  76      45.084 -18.540  -5.787  1.00 40.66           C  
-ATOM   3906  CD  LYS D  76      45.731 -19.657  -4.979  1.00 53.95           C  
-ATOM   3907  CE  LYS D  76      47.134 -20.017  -5.486  1.00 57.60           C  
-ATOM   3908  NZ  LYS D  76      48.153 -18.924  -5.479  1.00 60.39           N  
-ATOM   3909  N   ASN D  77      46.311 -14.838  -7.191  1.00 46.28           N  
-ATOM   3910  CA  ASN D  77      46.060 -14.003  -8.365  1.00 46.31           C  
-ATOM   3911  C   ASN D  77      46.147 -12.549  -7.917  1.00 44.52           C  
-ATOM   3912  O   ASN D  77      45.130 -11.885  -7.724  1.00 43.20           O  
-ATOM   3913  CB  ASN D  77      44.665 -14.294  -8.925  1.00 50.15           C  
-ATOM   3914  CG  ASN D  77      43.618 -14.461  -7.824  1.00 57.41           C  
-ATOM   3915  OD1 ASN D  77      43.395 -13.553  -7.016  1.00 63.26           O  
-ATOM   3916  ND2 ASN D  77      42.976 -15.628  -7.783  1.00 54.25           N  
-ATOM   3917  N   LEU D  78      47.374 -12.068  -7.745  1.00 41.95           N  
-ATOM   3918  CA  LEU D  78      47.618 -10.703  -7.304  1.00 39.19           C  
-ATOM   3919  C   LEU D  78      46.838  -9.629  -8.078  1.00 40.15           C  
-ATOM   3920  O   LEU D  78      46.928  -8.451  -7.739  1.00 40.70           O  
-ATOM   3921  CB  LEU D  78      49.120 -10.413  -7.368  1.00 35.11           C  
-ATOM   3922  CG  LEU D  78      50.005 -11.356  -6.563  1.00 29.94           C  
-ATOM   3923  CD1 LEU D  78      51.460 -11.086  -6.885  1.00 30.15           C  
-ATOM   3924  CD2 LEU D  78      49.733 -11.167  -5.076  1.00 35.58           C  
-ATOM   3925  N   ASP D  79      46.086 -10.028  -9.108  1.00 41.72           N  
-ATOM   3926  CA  ASP D  79      45.287  -9.086  -9.912  1.00 42.27           C  
-ATOM   3927  C   ASP D  79      43.806  -9.388  -9.748  1.00 43.50           C  
-ATOM   3928  O   ASP D  79      43.048  -9.310 -10.711  1.00 45.72           O  
-ATOM   3929  CB  ASP D  79      45.632  -9.212 -11.400  1.00 41.33           C  
-ATOM   3930  CG  ASP D  79      47.052  -8.817 -11.700  1.00 43.47           C  
-ATOM   3931  OD1 ASP D  79      47.397  -7.647 -11.420  1.00 44.06           O  
-ATOM   3932  OD2 ASP D  79      47.820  -9.667 -12.209  1.00 41.54           O  
-ATOM   3933  N   ASN D  80      43.378  -9.703  -8.532  1.00 43.90           N  
-ATOM   3934  CA  ASN D  80      41.987 -10.075  -8.332  1.00 41.59           C  
-ATOM   3935  C   ASN D  80      41.613 -10.062  -6.861  1.00 40.44           C  
-ATOM   3936  O   ASN D  80      40.585 -10.609  -6.465  1.00 38.16           O  
-ATOM   3937  CB  ASN D  80      41.805 -11.485  -8.879  1.00 46.81           C  
-ATOM   3938  CG  ASN D  80      40.519 -11.657  -9.609  1.00 50.75           C  
-ATOM   3939  OD1 ASN D  80      40.178 -10.842 -10.470  1.00 48.82           O  
-ATOM   3940  ND2 ASN D  80      39.790 -12.730  -9.290  1.00 51.24           N  
-ATOM   3941  N   ILE D  81      42.462  -9.442  -6.055  1.00 40.24           N  
-ATOM   3942  CA  ILE D  81      42.259  -9.371  -4.614  1.00 39.67           C  
-ATOM   3943  C   ILE D  81      40.901  -8.819  -4.193  1.00 40.97           C  
-ATOM   3944  O   ILE D  81      40.236  -9.385  -3.321  1.00 37.98           O  
-ATOM   3945  CB  ILE D  81      43.367  -8.532  -3.973  1.00 38.74           C  
-ATOM   3946  CG1 ILE D  81      44.725  -9.071  -4.425  1.00 33.79           C  
-ATOM   3947  CG2 ILE D  81      43.241  -8.572  -2.453  1.00 41.37           C  
-ATOM   3948  CD1 ILE D  81      45.889  -8.226  -4.028  1.00 34.38           C  
-ATOM   3949  N   LYS D  82      40.493  -7.713  -4.806  1.00 42.31           N  
-ATOM   3950  CA  LYS D  82      39.210  -7.104  -4.481  1.00 43.43           C  
-ATOM   3951  C   LYS D  82      38.067  -8.112  -4.485  1.00 42.33           C  
-ATOM   3952  O   LYS D  82      37.384  -8.290  -3.474  1.00 39.56           O  
-ATOM   3953  CB  LYS D  82      38.906  -5.974  -5.467  1.00 48.99           C  
-ATOM   3954  CG  LYS D  82      37.425  -5.598  -5.567  1.00 58.58           C  
-ATOM   3955  CD  LYS D  82      36.698  -6.419  -6.652  1.00 62.44           C  
-ATOM   3956  CE  LYS D  82      35.165  -6.392  -6.509  1.00 64.48           C  
-ATOM   3957  NZ  LYS D  82      34.648  -7.175  -5.336  1.00 62.41           N  
-ATOM   3958  N   ASN D  83      37.876  -8.773  -5.626  1.00 45.29           N  
-ATOM   3959  CA  ASN D  83      36.798  -9.754  -5.804  1.00 45.74           C  
-ATOM   3960  C   ASN D  83      36.920 -10.977  -4.912  1.00 41.79           C  
-ATOM   3961  O   ASN D  83      35.914 -11.559  -4.515  1.00 41.55           O  
-ATOM   3962  CB  ASN D  83      36.737 -10.214  -7.264  1.00 48.32           C  
-ATOM   3963  CG  ASN D  83      36.934  -9.069  -8.247  1.00 50.71           C  
-ATOM   3964  OD1 ASN D  83      38.031  -8.516  -8.360  1.00 52.64           O  
-ATOM   3965  ND2 ASN D  83      35.870  -8.703  -8.957  1.00 48.25           N  
-ATOM   3966  N   THR D  84      38.152 -11.358  -4.600  1.00 39.99           N  
-ATOM   3967  CA  THR D  84      38.397 -12.522  -3.763  1.00 41.38           C  
-ATOM   3968  C   THR D  84      38.258 -12.246  -2.260  1.00 42.14           C  
-ATOM   3969  O   THR D  84      38.291 -13.167  -1.447  1.00 42.90           O  
-ATOM   3970  CB  THR D  84      39.803 -13.100  -4.026  1.00 42.05           C  
-ATOM   3971  OG1 THR D  84      40.792 -12.195  -3.525  1.00 45.64           O  
-ATOM   3972  CG2 THR D  84      40.032 -13.293  -5.517  1.00 41.06           C  
-ATOM   3973  N   PHE D  85      38.107 -10.985  -1.880  1.00 46.01           N  
-ATOM   3974  CA  PHE D  85      37.963 -10.658  -0.462  1.00 47.87           C  
-ATOM   3975  C   PHE D  85      36.692  -9.890  -0.141  1.00 50.54           C  
-ATOM   3976  O   PHE D  85      36.506  -9.457   1.000  1.00 51.66           O  
-ATOM   3977  CB  PHE D  85      39.143  -9.832   0.037  1.00 47.09           C  
-ATOM   3978  CG  PHE D  85      40.372 -10.625   0.280  1.00 43.05           C  
-ATOM   3979  CD1 PHE D  85      41.189 -11.004  -0.774  1.00 43.61           C  
-ATOM   3980  CD2 PHE D  85      40.728 -10.978   1.575  1.00 45.27           C  
-ATOM   3981  CE1 PHE D  85      42.360 -11.727  -0.547  1.00 46.08           C  
-ATOM   3982  CE2 PHE D  85      41.892 -11.700   1.820  1.00 48.56           C  
-ATOM   3983  CZ  PHE D  85      42.715 -12.076   0.752  1.00 48.81           C  
-ATOM   3984  N   ALA D  86      35.833  -9.706  -1.141  1.00 51.57           N  
-ATOM   3985  CA  ALA D  86      34.584  -8.984  -0.937  1.00 50.68           C  
-ATOM   3986  C   ALA D  86      33.828  -9.578   0.256  1.00 51.50           C  
-ATOM   3987  O   ALA D  86      33.394  -8.850   1.155  1.00 50.96           O  
-ATOM   3988  CB  ALA D  86      33.735  -9.052  -2.199  1.00 53.66           C  
-ATOM   3989  N   GLN D  87      33.683 -10.903   0.259  1.00 52.47           N  
-ATOM   3990  CA  GLN D  87      32.995 -11.619   1.342  1.00 52.81           C  
-ATOM   3991  C   GLN D  87      33.751 -11.444   2.658  1.00 52.17           C  
-ATOM   3992  O   GLN D  87      33.155 -11.465   3.746  1.00 54.19           O  
-ATOM   3993  CB  GLN D  87      32.875 -13.123   1.021  1.00 53.68           C  
-ATOM   3994  CG  GLN D  87      33.765 -13.620  -0.129  1.00 60.58           C  
-ATOM   3995  CD  GLN D  87      35.161 -12.984  -0.145  1.00 64.99           C  
-ATOM   3996  OE1 GLN D  87      35.886 -13.003   0.859  1.00 65.20           O  
-ATOM   3997  NE2 GLN D  87      35.538 -12.417  -1.295  1.00 64.75           N  
-ATOM   3998  N   LEU D  88      35.068 -11.292   2.551  1.00 48.23           N  
-ATOM   3999  CA  LEU D  88      35.904 -11.100   3.723  1.00 46.58           C  
-ATOM   4000  C   LEU D  88      35.719  -9.675   4.239  1.00 44.05           C  
-ATOM   4001  O   LEU D  88      35.744  -9.433   5.452  1.00 42.81           O  
-ATOM   4002  CB  LEU D  88      37.381 -11.336   3.382  1.00 45.13           C  
-ATOM   4003  CG  LEU D  88      38.026 -12.627   3.892  1.00 44.72           C  
-ATOM   4004  CD1 LEU D  88      37.535 -12.922   5.313  1.00 43.48           C  
-ATOM   4005  CD2 LEU D  88      37.679 -13.771   2.965  1.00 44.76           C  
-ATOM   4006  N   SER D  89      35.531  -8.736   3.315  1.00 39.44           N  
-ATOM   4007  CA  SER D  89      35.349  -7.347   3.703  1.00 41.62           C  
-ATOM   4008  C   SER D  89      33.984  -7.208   4.343  1.00 41.02           C  
-ATOM   4009  O   SER D  89      33.823  -6.497   5.335  1.00 41.84           O  
-ATOM   4010  CB  SER D  89      35.453  -6.412   2.487  1.00 41.49           C  
-ATOM   4011  OG  SER D  89      34.272  -6.439   1.704  1.00 39.62           O  
-ATOM   4012  N   GLU D  90      33.009  -7.919   3.784  1.00 43.89           N  
-ATOM   4013  CA  GLU D  90      31.632  -7.879   4.277  1.00 47.45           C  
-ATOM   4014  C   GLU D  90      31.464  -8.139   5.777  1.00 44.69           C  
-ATOM   4015  O   GLU D  90      30.766  -7.386   6.461  1.00 46.67           O  
-ATOM   4016  CB  GLU D  90      30.759  -8.857   3.487  1.00 50.38           C  
-ATOM   4017  CG  GLU D  90      29.271  -8.610   3.660  1.00 58.27           C  
-ATOM   4018  CD  GLU D  90      28.495  -8.747   2.356  1.00 61.74           C  
-ATOM   4019  OE1 GLU D  90      27.393  -8.159   2.259  1.00 65.01           O  
-ATOM   4020  OE2 GLU D  90      28.979  -9.443   1.435  1.00 60.07           O  
-ATOM   4021  N   LEU D  91      32.090  -9.189   6.300  1.00 43.24           N  
-ATOM   4022  CA  LEU D  91      31.956  -9.460   7.725  1.00 42.69           C  
-ATOM   4023  C   LEU D  91      32.798  -8.490   8.556  1.00 42.92           C  
-ATOM   4024  O   LEU D  91      32.337  -7.975   9.574  1.00 43.84           O  
-ATOM   4025  CB  LEU D  91      32.314 -10.920   8.039  1.00 39.54           C  
-ATOM   4026  CG  LEU D  91      33.693 -11.491   7.727  1.00 44.87           C  
-ATOM   4027  CD1 LEU D  91      34.696 -10.986   8.757  1.00 48.38           C  
-ATOM   4028  CD2 LEU D  91      33.639 -13.016   7.773  1.00 45.44           C  
-ATOM   4029  N   HIS D  92      34.019  -8.214   8.118  1.00 43.32           N  
-ATOM   4030  CA  HIS D  92      34.869  -7.296   8.865  1.00 45.14           C  
-ATOM   4031  C   HIS D  92      34.271  -5.880   8.903  1.00 46.14           C  
-ATOM   4032  O   HIS D  92      34.512  -5.121   9.846  1.00 49.22           O  
-ATOM   4033  CB  HIS D  92      36.287  -7.239   8.257  1.00 43.39           C  
-ATOM   4034  CG  HIS D  92      37.152  -8.407   8.617  1.00 42.30           C  
-ATOM   4035  ND1 HIS D  92      37.362  -9.473   7.767  1.00 44.80           N  
-ATOM   4036  CD2 HIS D  92      37.847  -8.685   9.745  1.00 42.70           C  
-ATOM   4037  CE1 HIS D  92      38.148 -10.358   8.357  1.00 41.21           C  
-ATOM   4038  NE2 HIS D  92      38.457  -9.905   9.559  1.00 39.30           N  
-ATOM   4039  N   CYS D  93      33.476  -5.541   7.892  1.00 42.32           N  
-ATOM   4040  CA  CYS D  93      32.886  -4.207   7.781  1.00 42.80           C  
-ATOM   4041  C   CYS D  93      31.453  -4.081   8.316  1.00 43.47           C  
-ATOM   4042  O   CYS D  93      31.179  -3.316   9.256  1.00 43.11           O  
-ATOM   4043  CB  CYS D  93      32.939  -3.766   6.305  1.00 37.98           C  
-ATOM   4044  SG  CYS D  93      32.334  -2.110   5.919  1.00 37.05           S  
-ATOM   4045  N   ASP D  94      30.549  -4.837   7.703  1.00 41.76           N  
-ATOM   4046  CA  ASP D  94      29.144  -4.816   8.067  1.00 43.47           C  
-ATOM   4047  C   ASP D  94      28.866  -5.606   9.335  1.00 43.58           C  
-ATOM   4048  O   ASP D  94      27.953  -5.278  10.094  1.00 43.43           O  
-ATOM   4049  CB  ASP D  94      28.319  -5.388   6.923  1.00 45.00           C  
-ATOM   4050  CG  ASP D  94      28.735  -4.831   5.578  1.00 51.60           C  
-ATOM   4051  OD1 ASP D  94      28.196  -5.298   4.550  1.00 55.58           O  
-ATOM   4052  OD2 ASP D  94      29.603  -3.927   5.545  1.00 54.65           O  
-ATOM   4053  N   LYS D  95      29.647  -6.652   9.570  1.00 43.81           N  
-ATOM   4054  CA  LYS D  95      29.435  -7.464  10.756  1.00 44.74           C  
-ATOM   4055  C   LYS D  95      30.237  -6.997  11.971  1.00 43.02           C  
-ATOM   4056  O   LYS D  95      29.682  -6.327  12.844  1.00 47.10           O  
-ATOM   4057  CB  LYS D  95      29.722  -8.935  10.442  1.00 47.40           C  
-ATOM   4058  CG  LYS D  95      29.572  -9.896  11.634  1.00 54.95           C  
-ATOM   4059  CD  LYS D  95      28.203  -9.814  12.328  1.00 53.35           C  
-ATOM   4060  CE  LYS D  95      28.286  -9.036  13.641  1.00 53.46           C  
-ATOM   4061  NZ  LYS D  95      29.241  -9.648  14.619  1.00 51.95           N  
-ATOM   4062  N   LEU D  96      31.523  -7.335  12.039  1.00 39.67           N  
-ATOM   4063  CA  LEU D  96      32.346  -6.931  13.184  1.00 40.69           C  
-ATOM   4064  C   LEU D  96      32.543  -5.419  13.336  1.00 40.67           C  
-ATOM   4065  O   LEU D  96      32.695  -4.919  14.461  1.00 34.69           O  
-ATOM   4066  CB  LEU D  96      33.727  -7.586  13.114  1.00 42.01           C  
-ATOM   4067  CG  LEU D  96      33.826  -9.112  13.111  1.00 41.33           C  
-ATOM   4068  CD1 LEU D  96      32.793  -9.659  14.069  1.00 38.62           C  
-ATOM   4069  CD2 LEU D  96      33.614  -9.662  11.710  1.00 42.04           C  
-ATOM   4070  N   HIS D  97      32.551  -4.707  12.204  1.00 42.35           N  
-ATOM   4071  CA  HIS D  97      32.747  -3.254  12.174  1.00 43.18           C  
-ATOM   4072  C   HIS D  97      34.145  -2.868  12.650  1.00 43.39           C  
-ATOM   4073  O   HIS D  97      34.320  -1.926  13.430  1.00 45.80           O  
-ATOM   4074  CB  HIS D  97      31.701  -2.536  13.039  1.00 47.88           C  
-ATOM   4075  CG  HIS D  97      30.334  -2.499  12.430  1.00 50.74           C  
-ATOM   4076  ND1 HIS D  97      29.414  -3.514  12.594  1.00 51.53           N  
-ATOM   4077  CD2 HIS D  97      29.745  -1.583  11.627  1.00 50.61           C  
-ATOM   4078  CE1 HIS D  97      28.317  -3.222  11.918  1.00 51.64           C  
-ATOM   4079  NE2 HIS D  97      28.493  -2.056  11.322  1.00 52.45           N  
-ATOM   4080  N   VAL D  98      35.142  -3.616  12.192  1.00 38.86           N  
-ATOM   4081  CA  VAL D  98      36.515  -3.335  12.562  1.00 34.30           C  
-ATOM   4082  C   VAL D  98      36.868  -2.022  11.896  1.00 34.59           C  
-ATOM   4083  O   VAL D  98      36.496  -1.781  10.745  1.00 34.73           O  
-ATOM   4084  CB  VAL D  98      37.471  -4.423  12.039  1.00 32.64           C  
-ATOM   4085  CG1 VAL D  98      38.909  -4.024  12.322  1.00 32.42           C  
-ATOM   4086  CG2 VAL D  98      37.147  -5.759  12.689  1.00 32.34           C  
-ATOM   4087  N   ASP D  99      37.561  -1.150  12.613  1.00 34.25           N  
-ATOM   4088  CA  ASP D  99      37.940   0.104  11.995  1.00 33.77           C  
-ATOM   4089  C   ASP D  99      39.119  -0.213  11.084  1.00 32.45           C  
-ATOM   4090  O   ASP D  99      40.079  -0.873  11.502  1.00 31.05           O  
-ATOM   4091  CB  ASP D  99      38.361   1.131  13.043  1.00 35.69           C  
-ATOM   4092  CG  ASP D  99      38.388   2.536  12.488  1.00 39.10           C  
-ATOM   4093  OD1 ASP D  99      37.340   3.222  12.589  1.00 35.94           O  
-ATOM   4094  OD2 ASP D  99      39.446   2.937  11.934  1.00 41.77           O  
-ATOM   4095  N   PRO D 100      39.050   0.222   9.818  1.00 31.49           N  
-ATOM   4096  CA  PRO D 100      40.138  -0.030   8.871  1.00 28.69           C  
-ATOM   4097  C   PRO D 100      41.541   0.195   9.461  1.00 27.12           C  
-ATOM   4098  O   PRO D 100      42.494  -0.480   9.077  1.00 26.78           O  
-ATOM   4099  CB  PRO D 100      39.809   0.931   7.734  1.00 31.15           C  
-ATOM   4100  CG  PRO D 100      38.309   0.835   7.677  1.00 30.76           C  
-ATOM   4101  CD  PRO D 100      37.913   0.885   9.149  1.00 30.65           C  
-ATOM   4102  N   GLU D 101      41.660   1.136  10.396  1.00 29.22           N  
-ATOM   4103  CA  GLU D 101      42.942   1.444  11.036  1.00 29.19           C  
-ATOM   4104  C   GLU D 101      43.643   0.204  11.604  1.00 29.14           C  
-ATOM   4105  O   GLU D 101      44.869   0.157  11.658  1.00 32.58           O  
-ATOM   4106  CB  GLU D 101      42.741   2.471  12.157  1.00 32.25           C  
-ATOM   4107  CG  GLU D 101      43.450   3.799  11.949  1.00 38.21           C  
-ATOM   4108  CD  GLU D 101      44.963   3.671  11.904  1.00 40.32           C  
-ATOM   4109  OE1 GLU D 101      45.492   3.156  10.901  1.00 42.67           O  
-ATOM   4110  OE2 GLU D 101      45.630   4.086  12.873  1.00 46.10           O  
-ATOM   4111  N   ASN D 102      42.878  -0.798  12.033  1.00 26.18           N  
-ATOM   4112  CA  ASN D 102      43.491  -2.009  12.569  1.00 22.63           C  
-ATOM   4113  C   ASN D 102      44.052  -2.930  11.484  1.00 22.47           C  
-ATOM   4114  O   ASN D 102      44.982  -3.690  11.753  1.00 23.00           O  
-ATOM   4115  CB  ASN D 102      42.493  -2.780  13.416  1.00 18.46           C  
-ATOM   4116  CG  ASN D 102      41.877  -1.929  14.474  1.00 16.93           C  
-ATOM   4117  OD1 ASN D 102      40.794  -1.392  14.285  1.00 19.65           O  
-ATOM   4118  ND2 ASN D 102      42.572  -1.776  15.596  1.00 14.96           N  
-ATOM   4119  N   PHE D 103      43.484  -2.878  10.272  1.00 21.13           N  
-ATOM   4120  CA  PHE D 103      43.977  -3.704   9.166  1.00 18.43           C  
-ATOM   4121  C   PHE D 103      45.407  -3.254   8.922  1.00 14.15           C  
-ATOM   4122  O   PHE D 103      46.314  -4.062   8.766  1.00 11.64           O  
-ATOM   4123  CB  PHE D 103      43.176  -3.479   7.884  1.00 20.92           C  
-ATOM   4124  CG  PHE D 103      41.706  -3.769   8.010  1.00 24.79           C  
-ATOM   4125  CD1 PHE D 103      41.230  -4.732   8.904  1.00 27.58           C  
-ATOM   4126  CD2 PHE D 103      40.793  -3.114   7.182  1.00 25.25           C  
-ATOM   4127  CE1 PHE D 103      39.863  -5.038   8.968  1.00 24.57           C  
-ATOM   4128  CE2 PHE D 103      39.432  -3.414   7.239  1.00 27.92           C  
-ATOM   4129  CZ  PHE D 103      38.967  -4.378   8.134  1.00 22.35           C  
-ATOM   4130  N   ARG D 104      45.587  -1.941   8.895  1.00 11.62           N  
-ATOM   4131  CA  ARG D 104      46.897  -1.360   8.710  1.00 13.87           C  
-ATOM   4132  C   ARG D 104      47.794  -1.921   9.814  1.00 16.31           C  
-ATOM   4133  O   ARG D 104      48.877  -2.452   9.538  1.00 17.08           O  
-ATOM   4134  CB  ARG D 104      46.784   0.170   8.802  1.00 14.88           C  
-ATOM   4135  CG  ARG D 104      48.092   0.955   8.791  1.00 24.55           C  
-ATOM   4136  CD  ARG D 104      48.875   0.748  10.075  1.00 32.31           C  
-ATOM   4137  NE  ARG D 104      50.066   1.586  10.176  1.00 42.75           N  
-ATOM   4138  CZ  ARG D 104      50.051   2.871  10.515  1.00 45.31           C  
-ATOM   4139  NH1 ARG D 104      48.894   3.470  10.786  1.00 46.01           N  
-ATOM   4140  NH2 ARG D 104      51.195   3.547  10.595  1.00 44.62           N  
-ATOM   4141  N   LEU D 105      47.323  -1.823  11.061  1.00 15.22           N  
-ATOM   4142  CA  LEU D 105      48.080  -2.287  12.216  1.00 11.81           C  
-ATOM   4143  C   LEU D 105      48.608  -3.712  12.082  1.00 13.14           C  
-ATOM   4144  O   LEU D 105      49.803  -3.959  12.254  1.00 10.70           O  
-ATOM   4145  CB  LEU D 105      47.228  -2.163  13.472  1.00 10.91           C  
-ATOM   4146  CG  LEU D 105      46.939  -0.729  13.912  1.00  9.82           C  
-ATOM   4147  CD1 LEU D 105      46.093  -0.716  15.181  1.00  3.86           C  
-ATOM   4148  CD2 LEU D 105      48.262  -0.037  14.152  1.00 10.37           C  
-ATOM   4149  N   LEU D 106      47.716  -4.646  11.768  1.00 13.77           N  
-ATOM   4150  CA  LEU D 106      48.091  -6.041  11.622  1.00 12.48           C  
-ATOM   4151  C   LEU D 106      49.102  -6.238  10.516  1.00 14.78           C  
-ATOM   4152  O   LEU D 106      50.095  -6.961  10.686  1.00 10.44           O  
-ATOM   4153  CB  LEU D 106      46.862  -6.888  11.331  1.00 13.07           C  
-ATOM   4154  CG  LEU D 106      47.187  -8.359  11.058  1.00 11.20           C  
-ATOM   4155  CD1 LEU D 106      47.978  -8.919  12.209  1.00 12.31           C  
-ATOM   4156  CD2 LEU D 106      45.908  -9.142  10.861  1.00 11.94           C  
-ATOM   4157  N   GLY D 107      48.828  -5.601   9.377  1.00 19.99           N  
-ATOM   4158  CA  GLY D 107      49.715  -5.691   8.231  1.00 15.56           C  
-ATOM   4159  C   GLY D 107      51.138  -5.321   8.611  1.00 18.02           C  
-ATOM   4160  O   GLY D 107      52.105  -5.966   8.167  1.00 16.28           O  
-ATOM   4161  N   ASP D 108      51.275  -4.284   9.435  1.00 15.43           N  
-ATOM   4162  CA  ASP D 108      52.591  -3.853   9.872  1.00 15.26           C  
-ATOM   4163  C   ASP D 108      53.267  -4.924  10.711  1.00 13.67           C  
-ATOM   4164  O   ASP D 108      54.428  -5.247  10.499  1.00 19.95           O  
-ATOM   4165  CB  ASP D 108      52.498  -2.552  10.665  1.00 21.58           C  
-ATOM   4166  CG  ASP D 108      52.392  -1.325   9.776  1.00 25.85           C  
-ATOM   4167  OD1 ASP D 108      52.252  -0.222  10.343  1.00 27.71           O  
-ATOM   4168  OD2 ASP D 108      52.457  -1.456   8.526  1.00 27.96           O  
-ATOM   4169  N   ILE D 109      52.551  -5.489  11.667  1.00 15.47           N  
-ATOM   4170  CA  ILE D 109      53.147  -6.529  12.504  1.00 13.75           C  
-ATOM   4171  C   ILE D 109      53.604  -7.694  11.624  1.00 10.06           C  
-ATOM   4172  O   ILE D 109      54.733  -8.178  11.743  1.00  7.61           O  
-ATOM   4173  CB  ILE D 109      52.130  -6.987  13.587  1.00 11.70           C  
-ATOM   4174  CG1 ILE D 109      52.044  -5.888  14.640  1.00  3.36           C  
-ATOM   4175  CG2 ILE D 109      52.541  -8.336  14.208  1.00  3.39           C  
-ATOM   4176  CD1 ILE D 109      50.930  -6.057  15.589  1.00  9.84           C  
-ATOM   4177  N   LEU D 110      52.722  -8.124  10.734  1.00  7.31           N  
-ATOM   4178  CA  LEU D 110      53.022  -9.199   9.804  1.00  6.75           C  
-ATOM   4179  C   LEU D 110      54.398  -8.988   9.142  1.00  8.42           C  
-ATOM   4180  O   LEU D 110      55.217  -9.905   9.054  1.00  3.36           O  
-ATOM   4181  CB  LEU D 110      51.910  -9.253   8.761  1.00  3.36           C  
-ATOM   4182  CG  LEU D 110      51.954 -10.371   7.737  1.00  5.41           C  
-ATOM   4183  CD1 LEU D 110      52.766  -9.907   6.552  1.00 17.35           C  
-ATOM   4184  CD2 LEU D 110      52.555 -11.617   8.346  1.00  3.36           C  
-ATOM   4185  N   ILE D 111      54.656  -7.769   8.685  1.00 11.29           N  
-ATOM   4186  CA  ILE D 111      55.938  -7.461   8.062  1.00  9.91           C  
-ATOM   4187  C   ILE D 111      57.083  -7.710   9.018  1.00  7.31           C  
-ATOM   4188  O   ILE D 111      58.061  -8.328   8.642  1.00 16.06           O  
-ATOM   4189  CB  ILE D 111      56.043  -5.991   7.625  1.00  8.86           C  
-ATOM   4190  CG1 ILE D 111      54.915  -5.639   6.650  1.00  6.36           C  
-ATOM   4191  CG2 ILE D 111      57.419  -5.753   7.023  1.00  5.22           C  
-ATOM   4192  CD1 ILE D 111      54.931  -6.429   5.355  1.00  3.36           C  
-ATOM   4193  N   ILE D 112      56.973  -7.207  10.242  1.00  4.35           N  
-ATOM   4194  CA  ILE D 112      58.024  -7.389  11.230  1.00  6.94           C  
-ATOM   4195  C   ILE D 112      58.286  -8.876  11.479  1.00  8.34           C  
-ATOM   4196  O   ILE D 112      59.445  -9.302  11.586  1.00  3.36           O  
-ATOM   4197  CB  ILE D 112      57.659  -6.721  12.574  1.00 10.54           C  
-ATOM   4198  CG1 ILE D 112      57.508  -5.217  12.397  1.00 11.38           C  
-ATOM   4199  CG2 ILE D 112      58.748  -6.963  13.595  1.00  8.85           C  
-ATOM   4200  CD1 ILE D 112      57.152  -4.510  13.684  1.00 13.98           C  
-ATOM   4201  N   VAL D 113      57.215  -9.665  11.565  1.00  7.22           N  
-ATOM   4202  CA  VAL D 113      57.359 -11.097  11.811  1.00 11.37           C  
-ATOM   4203  C   VAL D 113      58.168 -11.752  10.694  1.00 13.84           C  
-ATOM   4204  O   VAL D 113      59.111 -12.491  10.955  1.00 19.00           O  
-ATOM   4205  CB  VAL D 113      55.974 -11.797  11.948  1.00 13.09           C  
-ATOM   4206  CG1 VAL D 113      56.125 -13.301  11.888  1.00 13.30           C  
-ATOM   4207  CG2 VAL D 113      55.342 -11.435  13.269  1.00 17.15           C  
-ATOM   4208  N   LEU D 114      57.806 -11.491   9.446  1.00 12.67           N  
-ATOM   4209  CA  LEU D 114      58.556 -12.053   8.337  1.00  8.14           C  
-ATOM   4210  C   LEU D 114      60.030 -11.648   8.445  1.00  6.56           C  
-ATOM   4211  O   LEU D 114      60.920 -12.476   8.286  1.00 11.20           O  
-ATOM   4212  CB  LEU D 114      57.966 -11.572   7.011  1.00  8.41           C  
-ATOM   4213  CG  LEU D 114      56.584 -12.173   6.745  1.00  6.89           C  
-ATOM   4214  CD1 LEU D 114      55.993 -11.588   5.491  1.00 13.64           C  
-ATOM   4215  CD2 LEU D 114      56.704 -13.679   6.612  1.00  3.54           C  
-ATOM   4216  N   ALA D 115      60.293 -10.381   8.728  1.00  3.36           N  
-ATOM   4217  CA  ALA D 115      61.670  -9.908   8.865  1.00  6.15           C  
-ATOM   4218  C   ALA D 115      62.498 -10.667   9.909  1.00  7.82           C  
-ATOM   4219  O   ALA D 115      63.721 -10.769   9.787  1.00  4.46           O  
-ATOM   4220  CB  ALA D 115      61.673  -8.437   9.204  1.00 16.14           C  
-ATOM   4221  N   ALA D 116      61.841 -11.182  10.945  1.00  7.13           N  
-ATOM   4222  CA  ALA D 116      62.550 -11.911  11.982  1.00  8.15           C  
-ATOM   4223  C   ALA D 116      62.777 -13.377  11.609  1.00 16.57           C  
-ATOM   4224  O   ALA D 116      63.693 -14.018  12.125  1.00 18.63           O  
-ATOM   4225  CB  ALA D 116      61.799 -11.817  13.282  1.00  3.36           C  
-ATOM   4226  N   HIS D 117      61.956 -13.902  10.705  1.00 19.35           N  
-ATOM   4227  CA  HIS D 117      62.083 -15.285  10.283  1.00 20.27           C  
-ATOM   4228  C   HIS D 117      62.959 -15.517   9.050  1.00 21.66           C  
-ATOM   4229  O   HIS D 117      63.530 -16.594   8.881  1.00 24.69           O  
-ATOM   4230  CB  HIS D 117      60.696 -15.883  10.071  1.00 30.44           C  
-ATOM   4231  CG  HIS D 117      59.970 -16.163  11.352  1.00 42.58           C  
-ATOM   4232  ND1 HIS D 117      58.677 -16.639  11.391  1.00 45.32           N  
-ATOM   4233  CD2 HIS D 117      60.362 -16.033  12.642  1.00 44.73           C  
-ATOM   4234  CE1 HIS D 117      58.303 -16.787  12.649  1.00 48.10           C  
-ATOM   4235  NE2 HIS D 117      59.308 -16.427  13.428  1.00 47.92           N  
-ATOM   4236  N   PHE D 118      63.084 -14.521   8.186  1.00 18.64           N  
-ATOM   4237  CA  PHE D 118      63.923 -14.695   7.014  1.00 12.53           C  
-ATOM   4238  C   PHE D 118      65.170 -13.826   7.096  1.00 10.36           C  
-ATOM   4239  O   PHE D 118      65.913 -13.719   6.142  1.00 11.49           O  
-ATOM   4240  CB  PHE D 118      63.137 -14.373   5.751  1.00 18.06           C  
-ATOM   4241  CG  PHE D 118      61.951 -15.257   5.543  1.00 22.78           C  
-ATOM   4242  CD1 PHE D 118      60.840 -15.155   6.361  1.00 26.76           C  
-ATOM   4243  CD2 PHE D 118      61.956 -16.220   4.547  1.00 27.48           C  
-ATOM   4244  CE1 PHE D 118      59.746 -16.006   6.188  1.00 28.63           C  
-ATOM   4245  CE2 PHE D 118      60.867 -17.071   4.369  1.00 24.02           C  
-ATOM   4246  CZ  PHE D 118      59.764 -16.960   5.193  1.00 24.74           C  
-ATOM   4247  N   ALA D 119      65.389 -13.210   8.250  1.00  9.08           N  
-ATOM   4248  CA  ALA D 119      66.546 -12.364   8.476  1.00  9.40           C  
-ATOM   4249  C   ALA D 119      67.000 -11.603   7.245  1.00 13.74           C  
-ATOM   4250  O   ALA D 119      66.221 -10.864   6.655  1.00 17.73           O  
-ATOM   4251  CB  ALA D 119      67.676 -13.178   9.002  1.00 10.86           C  
-ATOM   4252  N   LYS D 120      68.256 -11.787   6.852  1.00 15.11           N  
-ATOM   4253  CA  LYS D 120      68.808 -11.071   5.700  1.00 23.03           C  
-ATOM   4254  C   LYS D 120      68.214 -11.396   4.320  1.00 23.12           C  
-ATOM   4255  O   LYS D 120      68.518 -10.724   3.341  1.00 28.11           O  
-ATOM   4256  CB  LYS D 120      70.336 -11.221   5.678  1.00 23.24           C  
-ATOM   4257  CG  LYS D 120      70.958 -10.986   7.053  1.00 31.46           C  
-ATOM   4258  CD  LYS D 120      72.440 -10.666   7.006  1.00 33.05           C  
-ATOM   4259  CE  LYS D 120      72.673  -9.244   6.536  1.00 41.02           C  
-ATOM   4260  NZ  LYS D 120      74.079  -8.805   6.753  1.00 43.67           N  
-ATOM   4261  N   GLU D 121      67.361 -12.405   4.233  1.00 23.99           N  
-ATOM   4262  CA  GLU D 121      66.737 -12.735   2.962  1.00 26.45           C  
-ATOM   4263  C   GLU D 121      65.516 -11.834   2.753  1.00 25.60           C  
-ATOM   4264  O   GLU D 121      64.882 -11.835   1.696  1.00 29.21           O  
-ATOM   4265  CB  GLU D 121      66.327 -14.206   2.943  1.00 32.59           C  
-ATOM   4266  CG  GLU D 121      65.308 -14.557   1.877  1.00 46.24           C  
-ATOM   4267  CD  GLU D 121      65.452 -15.977   1.375  1.00 54.95           C  
-ATOM   4268  OE1 GLU D 121      65.618 -16.890   2.211  1.00 59.50           O  
-ATOM   4269  OE2 GLU D 121      65.390 -16.181   0.141  1.00 63.60           O  
-ATOM   4270  N   PHE D 122      65.187 -11.054   3.771  1.00 21.96           N  
-ATOM   4271  CA  PHE D 122      64.060 -10.141   3.686  1.00 17.31           C  
-ATOM   4272  C   PHE D 122      64.638  -8.788   3.332  1.00 15.81           C  
-ATOM   4273  O   PHE D 122      64.760  -7.905   4.173  1.00 14.33           O  
-ATOM   4274  CB  PHE D 122      63.327 -10.068   5.022  1.00  8.93           C  
-ATOM   4275  CG  PHE D 122      61.959  -9.533   4.906  1.00  3.36           C  
-ATOM   4276  CD1 PHE D 122      61.017 -10.183   4.110  1.00  5.80           C  
-ATOM   4277  CD2 PHE D 122      61.604  -8.366   5.556  1.00  3.36           C  
-ATOM   4278  CE1 PHE D 122      59.726  -9.671   3.961  1.00 11.76           C  
-ATOM   4279  CE2 PHE D 122      60.318  -7.843   5.416  1.00  7.66           C  
-ATOM   4280  CZ  PHE D 122      59.373  -8.498   4.615  1.00 10.42           C  
-ATOM   4281  N   THR D 123      65.004  -8.655   2.065  1.00 22.06           N  
-ATOM   4282  CA  THR D 123      65.616  -7.452   1.515  1.00 17.66           C  
-ATOM   4283  C   THR D 123      64.653  -6.282   1.436  1.00 16.24           C  
-ATOM   4284  O   THR D 123      63.436  -6.469   1.385  1.00 20.49           O  
-ATOM   4285  CB  THR D 123      66.133  -7.733   0.110  1.00 20.57           C  
-ATOM   4286  OG1 THR D 123      65.026  -8.011  -0.757  1.00 22.58           O  
-ATOM   4287  CG2 THR D 123      67.045  -8.935   0.122  1.00 20.47           C  
-ATOM   4288  N   PRO D 124      65.188  -5.053   1.430  1.00 10.54           N  
-ATOM   4289  CA  PRO D 124      64.378  -3.839   1.352  1.00  6.30           C  
-ATOM   4290  C   PRO D 124      63.355  -3.931   0.235  1.00 10.84           C  
-ATOM   4291  O   PRO D 124      62.194  -3.584   0.423  1.00 13.68           O  
-ATOM   4292  CB  PRO D 124      65.415  -2.770   1.108  1.00  5.65           C  
-ATOM   4293  CG  PRO D 124      66.537  -3.251   1.949  1.00  4.81           C  
-ATOM   4294  CD  PRO D 124      66.605  -4.718   1.636  1.00  4.24           C  
-ATOM   4295  N   ASP D 125      63.782  -4.407  -0.929  1.00 16.27           N  
-ATOM   4296  CA  ASP D 125      62.866  -4.550  -2.053  1.00 23.69           C  
-ATOM   4297  C   ASP D 125      61.764  -5.503  -1.665  1.00 23.04           C  
-ATOM   4298  O   ASP D 125      60.594  -5.272  -1.980  1.00 26.81           O  
-ATOM   4299  CB  ASP D 125      63.578  -5.099  -3.280  1.00 26.39           C  
-ATOM   4300  CG  ASP D 125      64.699  -4.226  -3.707  1.00 36.66           C  
-ATOM   4301  OD1 ASP D 125      65.679  -4.109  -2.940  1.00 50.00           O  
-ATOM   4302  OD2 ASP D 125      64.595  -3.644  -4.797  1.00 41.86           O  
-ATOM   4303  N   CYS D 126      62.149  -6.582  -0.991  1.00 21.25           N  
-ATOM   4304  CA  CYS D 126      61.186  -7.578  -0.536  1.00 18.62           C  
-ATOM   4305  C   CYS D 126      60.202  -6.936   0.476  1.00 15.87           C  
-ATOM   4306  O   CYS D 126      58.978  -7.101   0.370  1.00  5.84           O  
-ATOM   4307  CB  CYS D 126      61.921  -8.768   0.095  1.00 19.03           C  
-ATOM   4308  SG  CYS D 126      60.845 -10.197   0.369  1.00 20.72           S  
-ATOM   4309  N   GLN D 127      60.732  -6.196   1.446  1.00 11.06           N  
-ATOM   4310  CA  GLN D 127      59.860  -5.544   2.396  1.00 12.17           C  
-ATOM   4311  C   GLN D 127      58.832  -4.683   1.658  1.00 14.58           C  
-ATOM   4312  O   GLN D 127      57.630  -4.784   1.906  1.00 19.28           O  
-ATOM   4313  CB  GLN D 127      60.647  -4.663   3.356  1.00  7.73           C  
-ATOM   4314  CG  GLN D 127      59.715  -3.824   4.210  1.00 12.33           C  
-ATOM   4315  CD  GLN D 127      60.431  -3.003   5.255  1.00 16.03           C  
-ATOM   4316  OE1 GLN D 127      61.659  -3.077   5.387  1.00 16.90           O  
-ATOM   4317  NE2 GLN D 127      59.662  -2.208   6.014  1.00 14.40           N  
-ATOM   4318  N   ALA D 128      59.300  -3.837   0.750  1.00  9.93           N  
-ATOM   4319  CA  ALA D 128      58.393  -2.979   0.006  1.00 10.17           C  
-ATOM   4320  C   ALA D 128      57.292  -3.760  -0.699  1.00  8.94           C  
-ATOM   4321  O   ALA D 128      56.143  -3.338  -0.696  1.00 13.90           O  
-ATOM   4322  CB  ALA D 128      59.170  -2.165  -0.999  1.00 16.27           C  
-ATOM   4323  N   ALA D 129      57.639  -4.897  -1.293  1.00  7.68           N  
-ATOM   4324  CA  ALA D 129      56.671  -5.711  -2.017  1.00  7.37           C  
-ATOM   4325  C   ALA D 129      55.561  -6.197  -1.121  1.00 11.43           C  
-ATOM   4326  O   ALA D 129      54.397  -6.197  -1.512  1.00 16.32           O  
-ATOM   4327  CB  ALA D 129      57.365  -6.898  -2.675  1.00  7.26           C  
-ATOM   4328  N   TRP D 130      55.913  -6.630   0.085  1.00 18.05           N  
-ATOM   4329  CA  TRP D 130      54.907  -7.114   1.026  1.00 15.07           C  
-ATOM   4330  C   TRP D 130      54.122  -5.953   1.596  1.00 13.32           C  
-ATOM   4331  O   TRP D 130      52.924  -6.055   1.807  1.00 13.94           O  
-ATOM   4332  CB  TRP D 130      55.565  -7.948   2.121  1.00 15.34           C  
-ATOM   4333  CG  TRP D 130      55.980  -9.275   1.577  1.00 20.52           C  
-ATOM   4334  CD1 TRP D 130      57.096  -9.546   0.838  1.00 18.44           C  
-ATOM   4335  CD2 TRP D 130      55.194 -10.473   1.566  1.00 20.98           C  
-ATOM   4336  NE1 TRP D 130      57.045 -10.830   0.355  1.00 12.18           N  
-ATOM   4337  CE2 TRP D 130      55.890 -11.422   0.785  1.00 13.91           C  
-ATOM   4338  CE3 TRP D 130      53.960 -10.834   2.134  1.00 18.63           C  
-ATOM   4339  CZ2 TRP D 130      55.397 -12.705   0.557  1.00 13.83           C  
-ATOM   4340  CZ3 TRP D 130      53.469 -12.113   1.903  1.00 13.04           C  
-ATOM   4341  CH2 TRP D 130      54.185 -13.031   1.121  1.00 16.18           C  
-ATOM   4342  N   GLN D 131      54.795  -4.836   1.825  1.00 12.37           N  
-ATOM   4343  CA  GLN D 131      54.114  -3.654   2.321  1.00 14.14           C  
-ATOM   4344  C   GLN D 131      52.952  -3.387   1.385  1.00 13.85           C  
-ATOM   4345  O   GLN D 131      51.815  -3.260   1.800  1.00 13.53           O  
-ATOM   4346  CB  GLN D 131      55.058  -2.475   2.288  1.00 17.28           C  
-ATOM   4347  CG  GLN D 131      55.910  -2.374   3.501  1.00 26.06           C  
-ATOM   4348  CD  GLN D 131      55.104  -1.937   4.699  1.00 30.61           C  
-ATOM   4349  OE1 GLN D 131      55.660  -1.688   5.769  1.00 41.11           O  
-ATOM   4350  NE2 GLN D 131      53.785  -1.838   4.530  1.00 19.42           N  
-ATOM   4351  N   LYS D 132      53.267  -3.313   0.103  1.00 14.67           N  
-ATOM   4352  CA  LYS D 132      52.277  -3.084  -0.925  1.00 16.33           C  
-ATOM   4353  C   LYS D 132      51.163  -4.128  -0.833  1.00 16.72           C  
-ATOM   4354  O   LYS D 132      49.993  -3.783  -0.747  1.00 19.82           O  
-ATOM   4355  CB  LYS D 132      52.956  -3.141  -2.294  1.00 20.25           C  
-ATOM   4356  CG  LYS D 132      52.069  -2.813  -3.472  1.00 25.61           C  
-ATOM   4357  CD  LYS D 132      52.867  -2.851  -4.761  1.00 31.32           C  
-ATOM   4358  CE  LYS D 132      52.021  -2.468  -5.967  1.00 36.32           C  
-ATOM   4359  NZ  LYS D 132      52.843  -2.460  -7.211  1.00 33.92           N  
-ATOM   4360  N   LEU D 133      51.520  -5.405  -0.853  1.00 16.98           N  
-ATOM   4361  CA  LEU D 133      50.519  -6.464  -0.766  1.00 21.17           C  
-ATOM   4362  C   LEU D 133      49.599  -6.214   0.431  1.00 21.16           C  
-ATOM   4363  O   LEU D 133      48.390  -6.067   0.281  1.00 21.39           O  
-ATOM   4364  CB  LEU D 133      51.211  -7.827  -0.624  1.00 22.28           C  
-ATOM   4365  CG  LEU D 133      50.383  -9.119  -0.531  1.00 13.67           C  
-ATOM   4366  CD1 LEU D 133      49.584  -9.367  -1.804  1.00 16.51           C  
-ATOM   4367  CD2 LEU D 133      51.326 -10.262  -0.295  1.00  8.37           C  
-ATOM   4368  N   VAL D 134      50.195  -6.156   1.615  1.00 22.68           N  
-ATOM   4369  CA  VAL D 134      49.479  -5.928   2.865  1.00 19.63           C  
-ATOM   4370  C   VAL D 134      48.486  -4.775   2.776  1.00 25.50           C  
-ATOM   4371  O   VAL D 134      47.363  -4.883   3.263  1.00 31.68           O  
-ATOM   4372  CB  VAL D 134      50.496  -5.673   4.003  1.00 13.68           C  
-ATOM   4373  CG1 VAL D 134      50.009  -4.594   4.926  1.00 16.85           C  
-ATOM   4374  CG2 VAL D 134      50.738  -6.950   4.763  1.00  3.36           C  
-ATOM   4375  N   ARG D 135      48.893  -3.671   2.158  1.00 28.74           N  
-ATOM   4376  CA  ARG D 135      48.013  -2.510   2.013  1.00 28.18           C  
-ATOM   4377  C   ARG D 135      46.913  -2.761   0.992  1.00 27.88           C  
-ATOM   4378  O   ARG D 135      45.753  -2.475   1.262  1.00 30.16           O  
-ATOM   4379  CB  ARG D 135      48.805  -1.267   1.596  1.00 32.29           C  
-ATOM   4380  CG  ARG D 135      49.609  -0.588   2.709  1.00 38.78           C  
-ATOM   4381  CD  ARG D 135      50.677   0.342   2.098  1.00 50.85           C  
-ATOM   4382  NE  ARG D 135      50.122   1.233   1.070  1.00 54.39           N  
-ATOM   4383  CZ  ARG D 135      50.705   1.503  -0.100  1.00 54.91           C  
-ATOM   4384  NH1 ARG D 135      51.879   0.956  -0.419  1.00 54.36           N  
-ATOM   4385  NH2 ARG D 135      50.104   2.314  -0.964  1.00 53.51           N  
-ATOM   4386  N   VAL D 136      47.265  -3.291  -0.177  1.00 27.13           N  
-ATOM   4387  CA  VAL D 136      46.254  -3.549  -1.194  1.00 23.60           C  
-ATOM   4388  C   VAL D 136      45.224  -4.544  -0.666  1.00 20.77           C  
-ATOM   4389  O   VAL D 136      44.101  -4.589  -1.156  1.00 17.68           O  
-ATOM   4390  CB  VAL D 136      46.868  -4.108  -2.477  1.00 24.14           C  
-ATOM   4391  CG1 VAL D 136      46.997  -5.606  -2.375  1.00 30.84           C  
-ATOM   4392  CG2 VAL D 136      46.006  -3.746  -3.654  1.00 28.70           C  
-ATOM   4393  N   VAL D 137      45.605  -5.340   0.331  1.00 21.56           N  
-ATOM   4394  CA  VAL D 137      44.667  -6.305   0.891  1.00 22.21           C  
-ATOM   4395  C   VAL D 137      43.728  -5.546   1.807  1.00 22.39           C  
-ATOM   4396  O   VAL D 137      42.513  -5.636   1.667  1.00 23.87           O  
-ATOM   4397  CB  VAL D 137      45.356  -7.425   1.720  1.00 18.84           C  
-ATOM   4398  CG1 VAL D 137      44.330  -8.494   2.087  1.00 12.18           C  
-ATOM   4399  CG2 VAL D 137      46.482  -8.051   0.931  1.00 18.15           C  
-ATOM   4400  N   ALA D 138      44.295  -4.781   2.732  1.00 19.97           N  
-ATOM   4401  CA  ALA D 138      43.483  -4.012   3.667  1.00 21.32           C  
-ATOM   4402  C   ALA D 138      42.512  -3.067   2.944  1.00 25.55           C  
-ATOM   4403  O   ALA D 138      41.403  -2.818   3.425  1.00 21.98           O  
-ATOM   4404  CB  ALA D 138      44.383  -3.227   4.604  1.00 13.54           C  
-ATOM   4405  N   HIS D 139      42.935  -2.547   1.791  1.00 32.80           N  
-ATOM   4406  CA  HIS D 139      42.106  -1.637   0.996  1.00 35.50           C  
-ATOM   4407  C   HIS D 139      40.928  -2.419   0.425  1.00 32.65           C  
-ATOM   4408  O   HIS D 139      39.868  -1.854   0.153  1.00 31.84           O  
-ATOM   4409  CB  HIS D 139      42.915  -1.029  -0.158  1.00 40.27           C  
-ATOM   4410  CG  HIS D 139      42.200   0.066  -0.891  1.00 55.10           C  
-ATOM   4411  ND1 HIS D 139      42.179   1.373  -0.445  1.00 59.80           N  
-ATOM   4412  CD2 HIS D 139      41.475   0.048  -2.038  1.00 59.64           C  
-ATOM   4413  CE1 HIS D 139      41.474   2.112  -1.287  1.00 64.27           C  
-ATOM   4414  NE2 HIS D 139      41.036   1.332  -2.263  1.00 65.24           N  
-ATOM   4415  N   ALA D 140      41.130  -3.721   0.239  1.00 29.02           N  
-ATOM   4416  CA  ALA D 140      40.095  -4.591  -0.297  1.00 26.58           C  
-ATOM   4417  C   ALA D 140      39.119  -4.932   0.813  1.00 30.92           C  
-ATOM   4418  O   ALA D 140      37.921  -5.078   0.565  1.00 30.40           O  
-ATOM   4419  CB  ALA D 140      40.713  -5.856  -0.859  1.00 25.87           C  
-ATOM   4420  N   LEU D 141      39.640  -5.063   2.036  1.00 33.99           N  
-ATOM   4421  CA  LEU D 141      38.808  -5.355   3.206  1.00 34.00           C  
-ATOM   4422  C   LEU D 141      38.021  -4.113   3.588  1.00 34.11           C  
-ATOM   4423  O   LEU D 141      36.820  -4.191   3.817  1.00 34.97           O  
-ATOM   4424  CB  LEU D 141      39.651  -5.789   4.407  1.00 29.86           C  
-ATOM   4425  CG  LEU D 141      40.157  -7.225   4.447  1.00 29.54           C  
-ATOM   4426  CD1 LEU D 141      40.683  -7.508   5.832  1.00 35.97           C  
-ATOM   4427  CD2 LEU D 141      39.045  -8.191   4.128  1.00 29.36           C  
-ATOM   4428  N   ALA D 142      38.711  -2.976   3.684  1.00 36.77           N  
-ATOM   4429  CA  ALA D 142      38.050  -1.716   4.013  1.00 43.47           C  
-ATOM   4430  C   ALA D 142      36.947  -1.563   2.974  1.00 49.25           C  
-ATOM   4431  O   ALA D 142      35.857  -2.098   3.163  1.00 54.81           O  
-ATOM   4432  CB  ALA D 142      39.029  -0.553   3.920  1.00 41.95           C  
-ATOM   4433  N   ARG D 143      37.250  -0.855   1.884  1.00 51.80           N  
-ATOM   4434  CA  ARG D 143      36.329  -0.624   0.762  1.00 53.21           C  
-ATOM   4435  C   ARG D 143      34.840  -0.797   1.085  1.00 54.93           C  
-ATOM   4436  O   ARG D 143      34.042   0.109   0.825  1.00 51.02           O  
-ATOM   4437  CB  ARG D 143      36.745  -1.521  -0.418  1.00 53.77           C  
-ATOM   4438  CG  ARG D 143      35.723  -2.547  -0.881  1.00 54.54           C  
-ATOM   4439  CD  ARG D 143      34.782  -1.965  -1.926  1.00 57.46           C  
-ATOM   4440  NE  ARG D 143      33.892  -2.981  -2.493  1.00 62.40           N  
-ATOM   4441  CZ  ARG D 143      34.300  -4.029  -3.210  1.00 63.07           C  
-ATOM   4442  NH1 ARG D 143      35.589  -4.205  -3.456  1.00 63.47           N  
-ATOM   4443  NH2 ARG D 143      33.421  -4.908  -3.680  1.00 62.27           N  
-ATOM   4444  N   LYS D 144      34.478  -1.957   1.641  1.00 58.37           N  
-ATOM   4445  CA  LYS D 144      33.104  -2.286   2.039  1.00 61.96           C  
-ATOM   4446  C   LYS D 144      32.420  -1.202   2.905  1.00 64.63           C  
-ATOM   4447  O   LYS D 144      31.213  -1.289   3.185  1.00 66.84           O  
-ATOM   4448  CB  LYS D 144      33.091  -3.619   2.801  1.00 60.61           C  
-ATOM   4449  CG  LYS D 144      32.038  -4.655   2.337  1.00 61.03           C  
-ATOM   4450  CD  LYS D 144      30.604  -4.118   2.301  1.00 56.53           C  
-ATOM   4451  CE  LYS D 144      30.316  -3.381   0.992  1.00 55.69           C  
-ATOM   4452  NZ  LYS D 144      28.954  -2.779   0.958  1.00 54.05           N  
-ATOM   4453  N   TYR D 145      33.187  -0.199   3.337  1.00 64.52           N  
-ATOM   4454  CA  TYR D 145      32.647   0.903   4.149  1.00 63.08           C  
-ATOM   4455  C   TYR D 145      32.402   2.108   3.232  1.00 62.59           C  
-ATOM   4456  O   TYR D 145      31.851   3.132   3.656  1.00 56.88           O  
-ATOM   4457  CB  TYR D 145      33.640   1.309   5.253  1.00 60.69           C  
-ATOM   4458  CG  TYR D 145      34.195   0.154   6.053  1.00 53.84           C  
-ATOM   4459  CD1 TYR D 145      33.913   0.005   7.402  1.00 50.61           C  
-ATOM   4460  CD2 TYR D 145      35.008  -0.782   5.456  1.00 49.63           C  
-ATOM   4461  CE1 TYR D 145      34.437  -1.052   8.128  1.00 51.17           C  
-ATOM   4462  CE2 TYR D 145      35.530  -1.833   6.169  1.00 51.13           C  
-ATOM   4463  CZ  TYR D 145      35.247  -1.968   7.503  1.00 52.18           C  
-ATOM   4464  OH  TYR D 145      35.784  -3.022   8.203  1.00 53.37           O  
-ATOM   4465  N   HIS D 146      32.837   1.961   1.979  1.00 64.15           N  
-ATOM   4466  CA  HIS D 146      32.708   2.987   0.949  1.00 68.27           C  
-ATOM   4467  C   HIS D 146      32.528   2.346  -0.429  1.00 71.37           C  
-ATOM   4468  O   HIS D 146      31.399   2.454  -0.967  1.00 74.89           O  
-ATOM   4469  CB  HIS D 146      33.951   3.893   0.941  1.00 66.77           C  
-ATOM   4470  CG  HIS D 146      33.759   5.190   1.668  1.00 66.68           C  
-ATOM   4471  ND1 HIS D 146      34.816   5.959   2.110  1.00 66.88           N  
-ATOM   4472  CD2 HIS D 146      32.634   5.855   2.025  1.00 64.26           C  
-ATOM   4473  CE1 HIS D 146      34.349   7.040   2.710  1.00 65.43           C  
-ATOM   4474  NE2 HIS D 146      33.029   7.001   2.671  1.00 65.91           N  
-ATOM   4475  OXT HIS D 146      33.504   1.748  -0.951  1.00 69.97           O  
-TER    4476      HIS D 146                                                      
-ATOM   4477  N   VAL E   1      37.748  61.749  53.709  1.00 57.22           N  
-ATOM   4478  CA  VAL E   1      38.554  61.912  54.961  1.00 55.14           C  
-ATOM   4479  C   VAL E   1      39.615  60.819  55.038  1.00 51.83           C  
-ATOM   4480  O   VAL E   1      40.766  61.080  55.401  1.00 53.21           O  
-ATOM   4481  CB  VAL E   1      37.663  61.805  56.242  1.00 57.49           C  
-ATOM   4482  CG1 VAL E   1      36.410  62.674  56.100  1.00 56.91           C  
-ATOM   4483  CG2 VAL E   1      37.278  60.348  56.499  1.00 54.77           C  
-ATOM   4484  N   LEU E   2      39.192  59.599  54.696  1.00 47.84           N  
-ATOM   4485  CA  LEU E   2      40.019  58.388  54.700  1.00 40.79           C  
-ATOM   4486  C   LEU E   2      40.283  57.805  56.088  1.00 37.11           C  
-ATOM   4487  O   LEU E   2      40.949  58.417  56.933  1.00 33.26           O  
-ATOM   4488  CB  LEU E   2      41.349  58.630  53.979  1.00 40.43           C  
-ATOM   4489  CG  LEU E   2      41.229  58.841  52.466  1.00 41.87           C  
-ATOM   4490  CD1 LEU E   2      42.610  58.728  51.834  1.00 39.82           C  
-ATOM   4491  CD2 LEU E   2      40.281  57.804  51.861  1.00 38.17           C  
-ATOM   4492  N   SER E   3      39.752  56.607  56.308  1.00 32.48           N  
-ATOM   4493  CA  SER E   3      39.908  55.918  57.577  1.00 29.48           C  
-ATOM   4494  C   SER E   3      41.343  55.452  57.769  1.00 29.05           C  
-ATOM   4495  O   SER E   3      42.230  55.757  56.972  1.00 26.51           O  
-ATOM   4496  CB  SER E   3      38.981  54.710  57.630  1.00 28.82           C  
-ATOM   4497  OG  SER E   3      39.384  53.749  56.679  1.00 32.70           O  
-ATOM   4498  N   ALA E   4      41.570  54.707  58.840  1.00 29.74           N  
-ATOM   4499  CA  ALA E   4      42.903  54.198  59.118  1.00 27.50           C  
-ATOM   4500  C   ALA E   4      43.194  53.107  58.106  1.00 27.34           C  
-ATOM   4501  O   ALA E   4      44.259  53.097  57.472  1.00 29.38           O  
-ATOM   4502  CB  ALA E   4      42.964  53.637  60.524  1.00 28.94           C  
-ATOM   4503  N   ALA E   5      42.231  52.195  57.963  1.00 21.44           N  
-ATOM   4504  CA  ALA E   5      42.328  51.074  57.031  1.00 19.52           C  
-ATOM   4505  C   ALA E   5      42.549  51.557  55.592  1.00 22.81           C  
-ATOM   4506  O   ALA E   5      43.440  51.082  54.886  1.00 23.20           O  
-ATOM   4507  CB  ALA E   5      41.062  50.251  57.106  1.00 16.77           C  
-ATOM   4508  N   ASP E   6      41.716  52.494  55.164  1.00 21.03           N  
-ATOM   4509  CA  ASP E   6      41.823  53.052  53.844  1.00 20.97           C  
-ATOM   4510  C   ASP E   6      43.253  53.561  53.637  1.00 24.18           C  
-ATOM   4511  O   ASP E   6      43.863  53.315  52.597  1.00 24.54           O  
-ATOM   4512  CB  ASP E   6      40.816  54.190  53.711  1.00 18.91           C  
-ATOM   4513  CG  ASP E   6      39.387  53.694  53.593  1.00 17.94           C  
-ATOM   4514  OD1 ASP E   6      38.457  54.453  53.963  1.00 16.99           O  
-ATOM   4515  OD2 ASP E   6      39.182  52.560  53.108  1.00 15.13           O  
-ATOM   4516  N   LYS E   7      43.782  54.267  54.634  1.00 26.04           N  
-ATOM   4517  CA  LYS E   7      45.127  54.809  54.544  1.00 26.76           C  
-ATOM   4518  C   LYS E   7      46.126  53.677  54.393  1.00 27.86           C  
-ATOM   4519  O   LYS E   7      47.035  53.744  53.565  1.00 26.81           O  
-ATOM   4520  CB  LYS E   7      45.484  55.606  55.802  1.00 30.18           C  
-ATOM   4521  CG  LYS E   7      44.733  56.909  56.025  1.00 29.42           C  
-ATOM   4522  CD  LYS E   7      45.496  57.778  57.038  1.00 33.65           C  
-ATOM   4523  CE  LYS E   7      44.655  58.921  57.608  1.00 29.22           C  
-ATOM   4524  NZ  LYS E   7      43.612  58.393  58.522  1.00 28.71           N  
-ATOM   4525  N   THR E   8      45.960  52.643  55.213  1.00 27.58           N  
-ATOM   4526  CA  THR E   8      46.856  51.490  55.194  1.00 29.03           C  
-ATOM   4527  C   THR E   8      46.869  50.785  53.842  1.00 29.70           C  
-ATOM   4528  O   THR E   8      47.932  50.461  53.302  1.00 29.60           O  
-ATOM   4529  CB  THR E   8      46.463  50.488  56.274  1.00 30.20           C  
-ATOM   4530  OG1 THR E   8      46.601  51.114  57.555  1.00 31.77           O  
-ATOM   4531  CG2 THR E   8      47.346  49.250  56.209  1.00 26.33           C  
-ATOM   4532  N   ASN E   9      45.685  50.542  53.296  1.00 26.07           N  
-ATOM   4533  CA  ASN E   9      45.598  49.888  52.007  1.00 21.89           C  
-ATOM   4534  C   ASN E   9      46.239  50.751  50.934  1.00 21.78           C  
-ATOM   4535  O   ASN E   9      47.016  50.260  50.135  1.00 21.43           O  
-ATOM   4536  CB  ASN E   9      44.147  49.608  51.646  1.00 25.29           C  
-ATOM   4537  CG  ASN E   9      43.505  48.613  52.576  1.00 26.72           C  
-ATOM   4538  OD1 ASN E   9      42.423  48.094  52.298  1.00 30.47           O  
-ATOM   4539  ND2 ASN E   9      44.161  48.348  53.695  1.00 26.48           N  
-ATOM   4540  N   VAL E  10      45.908  52.037  50.912  1.00 23.57           N  
-ATOM   4541  CA  VAL E  10      46.482  52.947  49.925  1.00 21.51           C  
-ATOM   4542  C   VAL E  10      48.008  52.852  49.990  1.00 22.07           C  
-ATOM   4543  O   VAL E  10      48.672  52.639  48.980  1.00 19.35           O  
-ATOM   4544  CB  VAL E  10      46.037  54.418  50.185  1.00 20.32           C  
-ATOM   4545  CG1 VAL E  10      46.767  55.363  49.251  1.00 15.41           C  
-ATOM   4546  CG2 VAL E  10      44.524  54.549  49.996  1.00 17.04           C  
-ATOM   4547  N   LYS E  11      48.561  53.000  51.186  1.00 23.86           N  
-ATOM   4548  CA  LYS E  11      50.000  52.913  51.357  1.00 22.62           C  
-ATOM   4549  C   LYS E  11      50.514  51.586  50.825  1.00 21.85           C  
-ATOM   4550  O   LYS E  11      51.517  51.536  50.125  1.00 22.06           O  
-ATOM   4551  CB  LYS E  11      50.365  53.055  52.832  1.00 25.44           C  
-ATOM   4552  CG  LYS E  11      50.530  54.490  53.309  1.00 25.88           C  
-ATOM   4553  CD  LYS E  11      50.659  54.528  54.829  1.00 30.07           C  
-ATOM   4554  CE  LYS E  11      51.070  55.896  55.315  1.00 36.81           C  
-ATOM   4555  NZ  LYS E  11      52.363  56.312  54.689  1.00 44.15           N  
-ATOM   4556  N   GLY E  12      49.815  50.510  51.153  1.00 23.03           N  
-ATOM   4557  CA  GLY E  12      50.235  49.199  50.695  1.00 24.90           C  
-ATOM   4558  C   GLY E  12      50.438  49.085  49.193  1.00 26.98           C  
-ATOM   4559  O   GLY E  12      51.544  48.836  48.727  1.00 30.02           O  
-ATOM   4560  N   VAL E  13      49.367  49.270  48.430  1.00 28.03           N  
-ATOM   4561  CA  VAL E  13      49.420  49.161  46.978  1.00 21.90           C  
-ATOM   4562  C   VAL E  13      50.389  50.166  46.348  1.00 22.29           C  
-ATOM   4563  O   VAL E  13      50.859  49.992  45.216  1.00 20.83           O  
-ATOM   4564  CB  VAL E  13      47.999  49.325  46.366  1.00 15.43           C  
-ATOM   4565  CG1 VAL E  13      47.427  50.674  46.731  1.00  9.57           C  
-ATOM   4566  CG2 VAL E  13      48.056  49.142  44.858  1.00 16.83           C  
-ATOM   4567  N   PHE E  14      50.696  51.224  47.074  1.00 18.11           N  
-ATOM   4568  CA  PHE E  14      51.622  52.186  46.528  1.00 21.54           C  
-ATOM   4569  C   PHE E  14      53.034  51.687  46.764  1.00 23.98           C  
-ATOM   4570  O   PHE E  14      53.964  52.057  46.045  1.00 27.62           O  
-ATOM   4571  CB  PHE E  14      51.407  53.565  47.155  1.00 21.32           C  
-ATOM   4572  CG  PHE E  14      50.583  54.485  46.303  1.00 21.56           C  
-ATOM   4573  CD1 PHE E  14      51.181  55.241  45.306  1.00 17.55           C  
-ATOM   4574  CD2 PHE E  14      49.189  54.525  46.436  1.00 26.07           C  
-ATOM   4575  CE1 PHE E  14      50.411  56.019  44.444  1.00 23.10           C  
-ATOM   4576  CE2 PHE E  14      48.404  55.301  45.577  1.00 20.39           C  
-ATOM   4577  CZ  PHE E  14      49.020  56.047  44.577  1.00 25.68           C  
-ATOM   4578  N   SER E  15      53.193  50.827  47.761  1.00 22.96           N  
-ATOM   4579  CA  SER E  15      54.510  50.287  48.061  1.00 21.25           C  
-ATOM   4580  C   SER E  15      54.910  49.364  46.923  1.00 19.59           C  
-ATOM   4581  O   SER E  15      56.075  49.302  46.557  1.00 12.82           O  
-ATOM   4582  CB  SER E  15      54.500  49.510  49.390  1.00 22.26           C  
-ATOM   4583  OG  SER E  15      53.862  48.245  49.273  1.00 26.92           O  
-ATOM   4584  N   LYS E  16      53.932  48.650  46.365  1.00 22.96           N  
-ATOM   4585  CA  LYS E  16      54.193  47.718  45.265  1.00 20.61           C  
-ATOM   4586  C   LYS E  16      54.469  48.416  43.949  1.00 21.87           C  
-ATOM   4587  O   LYS E  16      55.210  47.892  43.117  1.00 25.21           O  
-ATOM   4588  CB  LYS E  16      53.025  46.754  45.040  1.00 12.05           C  
-ATOM   4589  CG  LYS E  16      52.957  45.572  45.974  1.00 16.03           C  
-ATOM   4590  CD  LYS E  16      52.149  45.875  47.221  1.00 15.24           C  
-ATOM   4591  CE  LYS E  16      51.675  44.597  47.868  1.00  8.54           C  
-ATOM   4592  NZ  LYS E  16      50.796  44.944  49.004  1.00 15.75           N  
-ATOM   4593  N   ILE E  17      53.879  49.588  43.740  1.00 22.60           N  
-ATOM   4594  CA  ILE E  17      54.103  50.255  42.473  1.00 27.34           C  
-ATOM   4595  C   ILE E  17      55.231  51.246  42.541  1.00 30.05           C  
-ATOM   4596  O   ILE E  17      55.749  51.647  41.498  1.00 30.87           O  
-ATOM   4597  CB  ILE E  17      52.853  50.986  41.950  1.00 24.24           C  
-ATOM   4598  CG1 ILE E  17      52.532  52.172  42.856  1.00 21.18           C  
-ATOM   4599  CG2 ILE E  17      51.688  50.011  41.829  1.00 23.59           C  
-ATOM   4600  CD1 ILE E  17      51.497  53.096  42.268  1.00 11.56           C  
-ATOM   4601  N   SER E  18      55.610  51.656  43.750  1.00 34.74           N  
-ATOM   4602  CA  SER E  18      56.721  52.603  43.886  1.00 39.70           C  
-ATOM   4603  C   SER E  18      57.878  52.034  43.066  1.00 40.18           C  
-ATOM   4604  O   SER E  18      58.074  50.810  43.005  1.00 44.31           O  
-ATOM   4605  CB  SER E  18      57.153  52.768  45.353  1.00 42.50           C  
-ATOM   4606  OG  SER E  18      57.872  51.635  45.825  1.00 49.12           O  
-ATOM   4607  N   GLY E  19      58.641  52.913  42.434  1.00 35.54           N  
-ATOM   4608  CA  GLY E  19      59.727  52.439  41.605  1.00 36.07           C  
-ATOM   4609  C   GLY E  19      59.208  52.115  40.210  1.00 34.14           C  
-ATOM   4610  O   GLY E  19      59.761  51.285  39.498  1.00 31.72           O  
-ATOM   4611  N   HIS E  20      58.127  52.772  39.816  1.00 34.39           N  
-ATOM   4612  CA  HIS E  20      57.554  52.553  38.500  1.00 36.03           C  
-ATOM   4613  C   HIS E  20      56.823  53.797  38.024  1.00 35.61           C  
-ATOM   4614  O   HIS E  20      56.179  53.786  36.967  1.00 37.76           O  
-ATOM   4615  CB  HIS E  20      56.599  51.366  38.533  1.00 41.05           C  
-ATOM   4616  CG  HIS E  20      57.291  50.047  38.625  1.00 47.38           C  
-ATOM   4617  ND1 HIS E  20      58.074  49.550  37.605  1.00 53.14           N  
-ATOM   4618  CD2 HIS E  20      57.345  49.133  39.624  1.00 48.27           C  
-ATOM   4619  CE1 HIS E  20      58.582  48.385  37.973  1.00 55.78           C  
-ATOM   4620  NE2 HIS E  20      58.155  48.110  39.194  1.00 52.04           N  
-ATOM   4621  N   ALA E  21      56.932  54.867  38.811  1.00 30.27           N  
-ATOM   4622  CA  ALA E  21      56.287  56.124  38.475  1.00 28.64           C  
-ATOM   4623  C   ALA E  21      56.439  56.342  36.975  1.00 30.42           C  
-ATOM   4624  O   ALA E  21      55.461  56.292  36.230  1.00 29.25           O  
-ATOM   4625  CB  ALA E  21      56.932  57.271  39.258  1.00 18.93           C  
-ATOM   4626  N   GLU E  22      57.678  56.548  36.541  1.00 30.15           N  
-ATOM   4627  CA  GLU E  22      57.988  56.769  35.139  1.00 29.74           C  
-ATOM   4628  C   GLU E  22      57.150  55.882  34.217  1.00 27.57           C  
-ATOM   4629  O   GLU E  22      56.381  56.374  33.392  1.00 18.27           O  
-ATOM   4630  CB  GLU E  22      59.484  56.508  34.924  1.00 37.77           C  
-ATOM   4631  CG  GLU E  22      59.960  56.405  33.475  1.00 43.62           C  
-ATOM   4632  CD  GLU E  22      60.165  57.747  32.820  1.00 47.20           C  
-ATOM   4633  OE1 GLU E  22      60.715  58.646  33.492  1.00 50.14           O  
-ATOM   4634  OE2 GLU E  22      59.795  57.894  31.632  1.00 49.10           O  
-ATOM   4635  N   GLU E  23      57.279  54.571  34.387  1.00 32.03           N  
-ATOM   4636  CA  GLU E  23      56.576  53.609  33.542  1.00 34.83           C  
-ATOM   4637  C   GLU E  23      55.049  53.621  33.613  1.00 33.14           C  
-ATOM   4638  O   GLU E  23      54.372  53.712  32.584  1.00 28.55           O  
-ATOM   4639  CB  GLU E  23      57.094  52.199  33.836  1.00 39.32           C  
-ATOM   4640  CG  GLU E  23      56.480  51.126  32.947  1.00 48.66           C  
-ATOM   4641  CD  GLU E  23      56.957  49.721  33.291  1.00 51.43           C  
-ATOM   4642  OE1 GLU E  23      56.356  48.746  32.774  1.00 49.74           O  
-ATOM   4643  OE2 GLU E  23      57.932  49.598  34.072  1.00 51.81           O  
-ATOM   4644  N   TYR E  24      54.506  53.519  34.821  1.00 30.57           N  
-ATOM   4645  CA  TYR E  24      53.057  53.505  34.996  1.00 30.95           C  
-ATOM   4646  C   TYR E  24      52.382  54.833  34.616  1.00 29.72           C  
-ATOM   4647  O   TYR E  24      51.388  54.855  33.878  1.00 26.31           O  
-ATOM   4648  CB  TYR E  24      52.735  53.113  36.442  1.00 29.64           C  
-ATOM   4649  CG  TYR E  24      53.220  51.724  36.779  1.00 27.66           C  
-ATOM   4650  CD1 TYR E  24      53.143  51.228  38.077  1.00 24.86           C  
-ATOM   4651  CD2 TYR E  24      53.753  50.898  35.785  1.00 25.22           C  
-ATOM   4652  CE1 TYR E  24      53.581  49.942  38.372  1.00 24.46           C  
-ATOM   4653  CE2 TYR E  24      54.196  49.627  36.069  1.00 21.72           C  
-ATOM   4654  CZ  TYR E  24      54.108  49.152  37.355  1.00 26.44           C  
-ATOM   4655  OH  TYR E  24      54.552  47.877  37.609  1.00 31.94           O  
-ATOM   4656  N   GLY E  25      52.934  55.936  35.114  1.00 29.06           N  
-ATOM   4657  CA  GLY E  25      52.379  57.242  34.812  1.00 23.43           C  
-ATOM   4658  C   GLY E  25      52.219  57.408  33.318  1.00 22.46           C  
-ATOM   4659  O   GLY E  25      51.183  57.863  32.835  1.00 23.82           O  
-ATOM   4660  N   ALA E  26      53.253  57.031  32.578  1.00 23.71           N  
-ATOM   4661  CA  ALA E  26      53.223  57.138  31.128  1.00 20.98           C  
-ATOM   4662  C   ALA E  26      52.114  56.273  30.544  1.00 21.39           C  
-ATOM   4663  O   ALA E  26      51.485  56.639  29.556  1.00 22.57           O  
-ATOM   4664  CB  ALA E  26      54.549  56.719  30.558  1.00 16.69           C  
-ATOM   4665  N   GLU E  27      51.869  55.128  31.170  1.00 25.86           N  
-ATOM   4666  CA  GLU E  27      50.841  54.208  30.699  1.00 22.87           C  
-ATOM   4667  C   GLU E  27      49.422  54.677  31.004  1.00 18.42           C  
-ATOM   4668  O   GLU E  27      48.523  54.571  30.162  1.00 15.31           O  
-ATOM   4669  CB  GLU E  27      51.046  52.821  31.316  1.00 27.24           C  
-ATOM   4670  CG  GLU E  27      50.724  51.698  30.347  1.00 30.50           C  
-ATOM   4671  CD  GLU E  27      50.373  50.410  31.027  1.00 28.93           C  
-ATOM   4672  OE1 GLU E  27      51.179  49.922  31.853  1.00 31.62           O  
-ATOM   4673  OE2 GLU E  27      49.279  49.894  30.722  1.00 32.03           O  
-ATOM   4674  N   THR E  28      49.204  55.197  32.204  1.00 13.93           N  
-ATOM   4675  CA  THR E  28      47.854  55.622  32.524  1.00 18.28           C  
-ATOM   4676  C   THR E  28      47.480  56.803  31.628  1.00 17.92           C  
-ATOM   4677  O   THR E  28      46.339  56.916  31.179  1.00 15.48           O  
-ATOM   4678  CB  THR E  28      47.710  56.034  34.001  1.00 17.77           C  
-ATOM   4679  OG1 THR E  28      47.868  57.445  34.109  1.00 24.27           O  
-ATOM   4680  CG2 THR E  28      48.766  55.365  34.858  1.00 16.62           C  
-ATOM   4681  N   LEU E  29      48.449  57.675  31.358  1.00 18.31           N  
-ATOM   4682  CA  LEU E  29      48.195  58.840  30.521  1.00 17.71           C  
-ATOM   4683  C   LEU E  29      47.812  58.437  29.124  1.00 18.98           C  
-ATOM   4684  O   LEU E  29      46.843  58.953  28.565  1.00 20.64           O  
-ATOM   4685  CB  LEU E  29      49.416  59.746  30.447  1.00 18.27           C  
-ATOM   4686  CG  LEU E  29      49.673  60.651  31.647  1.00 22.52           C  
-ATOM   4687  CD1 LEU E  29      50.894  61.525  31.401  1.00 26.27           C  
-ATOM   4688  CD2 LEU E  29      48.457  61.523  31.872  1.00 24.62           C  
-ATOM   4689  N   GLU E  30      48.574  57.507  28.564  1.00 19.23           N  
-ATOM   4690  CA  GLU E  30      48.325  57.038  27.211  1.00 22.25           C  
-ATOM   4691  C   GLU E  30      46.989  56.308  27.075  1.00 20.84           C  
-ATOM   4692  O   GLU E  30      46.355  56.349  26.020  1.00 19.62           O  
-ATOM   4693  CB  GLU E  30      49.465  56.137  26.761  1.00 24.77           C  
-ATOM   4694  CG  GLU E  30      49.524  55.956  25.267  1.00 37.01           C  
-ATOM   4695  CD  GLU E  30      50.618  55.009  24.862  1.00 43.38           C  
-ATOM   4696  OE1 GLU E  30      51.761  55.202  25.354  1.00 46.80           O  
-ATOM   4697  OE2 GLU E  30      50.325  54.085  24.060  1.00 43.08           O  
-ATOM   4698  N   ARG E  31      46.569  55.635  28.141  1.00 19.88           N  
-ATOM   4699  CA  ARG E  31      45.295  54.936  28.128  1.00 19.35           C  
-ATOM   4700  C   ARG E  31      44.162  55.965  28.232  1.00 17.29           C  
-ATOM   4701  O   ARG E  31      43.078  55.792  27.667  1.00 10.45           O  
-ATOM   4702  CB  ARG E  31      45.234  53.949  29.294  1.00 24.06           C  
-ATOM   4703  CG  ARG E  31      46.163  52.769  29.113  1.00 24.15           C  
-ATOM   4704  CD  ARG E  31      46.021  51.717  30.194  1.00 21.20           C  
-ATOM   4705  NE  ARG E  31      46.691  50.484  29.779  1.00 22.32           N  
-ATOM   4706  CZ  ARG E  31      46.162  49.578  28.957  1.00 20.24           C  
-ATOM   4707  NH1 ARG E  31      44.943  49.751  28.459  1.00 24.16           N  
-ATOM   4708  NH2 ARG E  31      46.853  48.501  28.619  1.00  8.07           N  
-ATOM   4709  N   MET E  32      44.427  57.046  28.959  1.00 19.65           N  
-ATOM   4710  CA  MET E  32      43.442  58.107  29.124  1.00 19.43           C  
-ATOM   4711  C   MET E  32      43.171  58.789  27.796  1.00 17.39           C  
-ATOM   4712  O   MET E  32      42.009  58.965  27.426  1.00 12.34           O  
-ATOM   4713  CB  MET E  32      43.917  59.160  30.133  1.00 20.11           C  
-ATOM   4714  CG  MET E  32      42.902  60.296  30.323  1.00 22.14           C  
-ATOM   4715  SD  MET E  32      43.260  61.401  31.706  1.00 23.52           S  
-ATOM   4716  CE  MET E  32      44.283  62.588  30.931  1.00 21.02           C  
-ATOM   4717  N   PHE E  33      44.240  59.175  27.090  1.00 16.14           N  
-ATOM   4718  CA  PHE E  33      44.088  59.841  25.802  1.00 15.68           C  
-ATOM   4719  C   PHE E  33      43.461  58.909  24.777  1.00 17.20           C  
-ATOM   4720  O   PHE E  33      42.734  59.350  23.886  1.00 19.13           O  
-ATOM   4721  CB  PHE E  33      45.432  60.335  25.268  1.00 10.51           C  
-ATOM   4722  CG  PHE E  33      46.090  61.359  26.134  1.00  9.68           C  
-ATOM   4723  CD1 PHE E  33      45.365  62.429  26.638  1.00 13.32           C  
-ATOM   4724  CD2 PHE E  33      47.442  61.267  26.434  1.00  9.04           C  
-ATOM   4725  CE1 PHE E  33      45.981  63.409  27.438  1.00 17.28           C  
-ATOM   4726  CE2 PHE E  33      48.068  62.231  27.230  1.00 17.77           C  
-ATOM   4727  CZ  PHE E  33      47.333  63.310  27.734  1.00 10.76           C  
-ATOM   4728  N   THR E  34      43.725  57.618  24.921  1.00 16.44           N  
-ATOM   4729  CA  THR E  34      43.214  56.633  23.982  1.00 21.10           C  
-ATOM   4730  C   THR E  34      41.752  56.236  24.173  1.00 26.11           C  
-ATOM   4731  O   THR E  34      41.052  55.939  23.194  1.00 25.00           O  
-ATOM   4732  CB  THR E  34      44.065  55.355  24.032  1.00 24.43           C  
-ATOM   4733  OG1 THR E  34      45.423  55.668  23.693  1.00 21.46           O  
-ATOM   4734  CG2 THR E  34      43.508  54.303  23.071  1.00 25.06           C  
-ATOM   4735  N   ALA E  35      41.297  56.213  25.426  1.00 27.60           N  
-ATOM   4736  CA  ALA E  35      39.916  55.837  25.732  1.00 28.08           C  
-ATOM   4737  C   ALA E  35      38.999  57.050  25.993  1.00 28.75           C  
-ATOM   4738  O   ALA E  35      37.776  56.962  25.849  1.00 30.28           O  
-ATOM   4739  CB  ALA E  35      39.905  54.898  26.922  1.00 26.18           C  
-ATOM   4740  N   TYR E  36      39.595  58.172  26.384  1.00 25.02           N  
-ATOM   4741  CA  TYR E  36      38.850  59.393  26.652  1.00 27.71           C  
-ATOM   4742  C   TYR E  36      39.544  60.494  25.876  1.00 31.88           C  
-ATOM   4743  O   TYR E  36      40.034  61.468  26.456  1.00 34.00           O  
-ATOM   4744  CB  TYR E  36      38.874  59.725  28.147  1.00 30.14           C  
-ATOM   4745  CG  TYR E  36      38.230  58.671  29.010  1.00 24.39           C  
-ATOM   4746  CD1 TYR E  36      39.000  57.823  29.792  1.00 29.42           C  
-ATOM   4747  CD2 TYR E  36      36.858  58.484  28.991  1.00 24.21           C  
-ATOM   4748  CE1 TYR E  36      38.414  56.801  30.536  1.00 36.12           C  
-ATOM   4749  CE2 TYR E  36      36.253  57.472  29.726  1.00 30.12           C  
-ATOM   4750  CZ  TYR E  36      37.035  56.628  30.503  1.00 36.14           C  
-ATOM   4751  OH  TYR E  36      36.446  55.626  31.259  1.00 32.16           O  
-ATOM   4752  N   PRO E  37      39.579  60.357  24.541  1.00 33.00           N  
-ATOM   4753  CA  PRO E  37      40.207  61.293  23.598  1.00 28.52           C  
-ATOM   4754  C   PRO E  37      39.960  62.786  23.837  1.00 27.08           C  
-ATOM   4755  O   PRO E  37      40.851  63.619  23.643  1.00 29.81           O  
-ATOM   4756  CB  PRO E  37      39.676  60.820  22.244  1.00 26.06           C  
-ATOM   4757  CG  PRO E  37      38.349  60.201  22.598  1.00 23.83           C  
-ATOM   4758  CD  PRO E  37      38.692  59.419  23.826  1.00 29.65           C  
-ATOM   4759  N   GLN E  38      38.754  63.129  24.254  1.00 22.48           N  
-ATOM   4760  CA  GLN E  38      38.446  64.519  24.488  1.00 19.93           C  
-ATOM   4761  C   GLN E  38      39.356  65.126  25.557  1.00 19.73           C  
-ATOM   4762  O   GLN E  38      39.471  66.342  25.671  1.00 25.62           O  
-ATOM   4763  CB  GLN E  38      36.976  64.669  24.887  1.00 24.64           C  
-ATOM   4764  CG  GLN E  38      36.584  64.032  26.226  1.00 32.00           C  
-ATOM   4765  CD  GLN E  38      36.228  62.552  26.127  1.00 32.85           C  
-ATOM   4766  OE1 GLN E  38      35.768  61.966  27.098  1.00 34.04           O  
-ATOM   4767  NE2 GLN E  38      36.441  61.948  24.959  1.00 33.32           N  
-ATOM   4768  N   THR E  39      40.021  64.295  26.341  1.00 19.36           N  
-ATOM   4769  CA  THR E  39      40.875  64.847  27.380  1.00 20.62           C  
-ATOM   4770  C   THR E  39      42.110  65.472  26.752  1.00 21.67           C  
-ATOM   4771  O   THR E  39      42.847  66.202  27.411  1.00 24.26           O  
-ATOM   4772  CB  THR E  39      41.299  63.764  28.410  1.00 17.50           C  
-ATOM   4773  OG1 THR E  39      41.997  62.713  27.740  1.00 23.30           O  
-ATOM   4774  CG2 THR E  39      40.085  63.171  29.101  1.00 13.51           C  
-ATOM   4775  N   LYS E  40      42.330  65.177  25.473  1.00 24.81           N  
-ATOM   4776  CA  LYS E  40      43.488  65.697  24.731  1.00 27.73           C  
-ATOM   4777  C   LYS E  40      43.479  67.224  24.757  1.00 25.78           C  
-ATOM   4778  O   LYS E  40      44.513  67.881  24.903  1.00 22.02           O  
-ATOM   4779  CB  LYS E  40      43.440  65.202  23.281  1.00 26.73           C  
-ATOM   4780  CG  LYS E  40      43.817  63.741  23.077  1.00 20.06           C  
-ATOM   4781  CD  LYS E  40      43.219  63.236  21.784  1.00 18.89           C  
-ATOM   4782  CE  LYS E  40      43.786  61.892  21.405  1.00 25.89           C  
-ATOM   4783  NZ  LYS E  40      45.255  62.010  21.192  1.00 30.17           N  
-ATOM   4784  N   THR E  41      42.279  67.761  24.596  1.00 26.15           N  
-ATOM   4785  CA  THR E  41      42.010  69.189  24.626  1.00 24.57           C  
-ATOM   4786  C   THR E  41      42.852  69.986  25.624  1.00 25.20           C  
-ATOM   4787  O   THR E  41      43.096  71.182  25.425  1.00 30.39           O  
-ATOM   4788  CB  THR E  41      40.539  69.408  24.958  1.00 24.74           C  
-ATOM   4789  OG1 THR E  41      39.768  69.308  23.755  1.00 31.34           O  
-ATOM   4790  CG2 THR E  41      40.321  70.743  25.642  1.00 26.83           C  
-ATOM   4791  N   TYR E  42      43.293  69.341  26.696  1.00 18.47           N  
-ATOM   4792  CA  TYR E  42      44.087  70.032  27.695  1.00 17.10           C  
-ATOM   4793  C   TYR E  42      45.579  70.018  27.413  1.00 20.49           C  
-ATOM   4794  O   TYR E  42      46.335  70.685  28.102  1.00 21.26           O  
-ATOM   4795  CB  TYR E  42      43.820  69.434  29.074  1.00 20.02           C  
-ATOM   4796  CG  TYR E  42      42.445  69.745  29.664  1.00 21.64           C  
-ATOM   4797  CD1 TYR E  42      42.273  70.799  30.573  1.00 21.15           C  
-ATOM   4798  CD2 TYR E  42      41.330  68.971  29.335  1.00 15.94           C  
-ATOM   4799  CE1 TYR E  42      41.036  71.066  31.138  1.00 17.35           C  
-ATOM   4800  CE2 TYR E  42      40.092  69.232  29.892  1.00 16.45           C  
-ATOM   4801  CZ  TYR E  42      39.950  70.276  30.792  1.00 19.00           C  
-ATOM   4802  OH  TYR E  42      38.718  70.518  31.357  1.00 19.09           O  
-ATOM   4803  N   PHE E  43      46.017  69.261  26.412  1.00 25.85           N  
-ATOM   4804  CA  PHE E  43      47.445  69.217  26.093  1.00 32.12           C  
-ATOM   4805  C   PHE E  43      47.746  69.502  24.622  1.00 36.08           C  
-ATOM   4806  O   PHE E  43      48.343  68.668  23.939  1.00 42.26           O  
-ATOM   4807  CB  PHE E  43      48.043  67.855  26.465  1.00 27.50           C  
-ATOM   4808  CG  PHE E  43      47.765  67.437  27.875  1.00 25.70           C  
-ATOM   4809  CD1 PHE E  43      46.557  66.831  28.204  1.00 27.86           C  
-ATOM   4810  CD2 PHE E  43      48.703  67.662  28.883  1.00 23.40           C  
-ATOM   4811  CE1 PHE E  43      46.285  66.451  29.520  1.00 22.24           C  
-ATOM   4812  CE2 PHE E  43      48.446  67.290  30.199  1.00 15.80           C  
-ATOM   4813  CZ  PHE E  43      47.235  66.683  30.519  1.00 19.41           C  
-ATOM   4814  N   PRO E  44      47.352  70.684  24.115  1.00 36.24           N  
-ATOM   4815  CA  PRO E  44      47.630  70.975  22.708  1.00 35.89           C  
-ATOM   4816  C   PRO E  44      49.127  70.981  22.482  1.00 32.35           C  
-ATOM   4817  O   PRO E  44      49.613  70.578  21.428  1.00 33.19           O  
-ATOM   4818  CB  PRO E  44      47.031  72.365  22.513  1.00 37.98           C  
-ATOM   4819  CG  PRO E  44      45.990  72.462  23.610  1.00 32.54           C  
-ATOM   4820  CD  PRO E  44      46.712  71.839  24.762  1.00 36.13           C  
-ATOM   4821  N   HIS E  45      49.850  71.416  23.502  1.00 28.92           N  
-ATOM   4822  CA  HIS E  45      51.293  71.497  23.414  1.00 34.53           C  
-ATOM   4823  C   HIS E  45      52.028  70.209  23.706  1.00 37.74           C  
-ATOM   4824  O   HIS E  45      53.228  70.237  23.976  1.00 40.02           O  
-ATOM   4825  CB  HIS E  45      51.795  72.567  24.360  1.00 36.89           C  
-ATOM   4826  CG  HIS E  45      51.470  72.287  25.790  1.00 43.01           C  
-ATOM   4827  ND1 HIS E  45      50.196  71.975  26.215  1.00 38.67           N  
-ATOM   4828  CD2 HIS E  45      52.251  72.285  26.896  1.00 45.00           C  
-ATOM   4829  CE1 HIS E  45      50.207  71.797  27.524  1.00 41.67           C  
-ATOM   4830  NE2 HIS E  45      51.441  71.980  27.962  1.00 44.01           N  
-ATOM   4831  N   PHE E  46      51.331  69.081  23.654  1.00 38.42           N  
-ATOM   4832  CA  PHE E  46      51.994  67.819  23.943  1.00 39.18           C  
-ATOM   4833  C   PHE E  46      52.182  66.898  22.759  1.00 41.40           C  
-ATOM   4834  O   PHE E  46      51.351  66.848  21.844  1.00 41.29           O  
-ATOM   4835  CB  PHE E  46      51.251  67.047  25.040  1.00 37.43           C  
-ATOM   4836  CG  PHE E  46      51.776  67.291  26.419  1.00 32.81           C  
-ATOM   4837  CD1 PHE E  46      51.716  66.287  27.375  1.00 26.26           C  
-ATOM   4838  CD2 PHE E  46      52.308  68.529  26.773  1.00 32.12           C  
-ATOM   4839  CE1 PHE E  46      52.174  66.511  28.668  1.00 30.72           C  
-ATOM   4840  CE2 PHE E  46      52.769  68.765  28.067  1.00 32.68           C  
-ATOM   4841  CZ  PHE E  46      52.702  67.757  29.019  1.00 27.20           C  
-ATOM   4842  N   ASP E  47      53.298  66.175  22.813  1.00 42.89           N  
-ATOM   4843  CA  ASP E  47      53.706  65.175  21.829  1.00 43.39           C  
-ATOM   4844  C   ASP E  47      52.903  63.954  22.281  1.00 42.94           C  
-ATOM   4845  O   ASP E  47      53.299  63.260  23.220  1.00 40.80           O  
-ATOM   4846  CB  ASP E  47      55.221  64.932  21.983  1.00 45.97           C  
-ATOM   4847  CG  ASP E  47      55.796  63.993  20.934  1.00 48.17           C  
-ATOM   4848  OD1 ASP E  47      55.743  62.759  21.111  1.00 48.49           O  
-ATOM   4849  OD2 ASP E  47      56.316  64.498  19.921  1.00 57.19           O  
-ATOM   4850  N   LEU E  48      51.772  63.699  21.631  1.00 42.35           N  
-ATOM   4851  CA  LEU E  48      50.922  62.580  22.033  1.00 46.36           C  
-ATOM   4852  C   LEU E  48      51.193  61.203  21.411  1.00 50.12           C  
-ATOM   4853  O   LEU E  48      50.529  60.223  21.758  1.00 50.32           O  
-ATOM   4854  CB  LEU E  48      49.448  62.973  21.848  1.00 44.51           C  
-ATOM   4855  CG  LEU E  48      48.722  63.464  23.119  1.00 43.53           C  
-ATOM   4856  CD1 LEU E  48      49.640  64.345  23.963  1.00 40.55           C  
-ATOM   4857  CD2 LEU E  48      47.451  64.214  22.739  1.00 36.97           C  
-ATOM   4858  N   GLN E  49      52.167  61.122  20.507  1.00 52.69           N  
-ATOM   4859  CA  GLN E  49      52.518  59.848  19.880  1.00 54.91           C  
-ATOM   4860  C   GLN E  49      52.955  58.874  20.977  1.00 55.36           C  
-ATOM   4861  O   GLN E  49      53.777  59.217  21.841  1.00 55.11           O  
-ATOM   4862  CB  GLN E  49      53.657  60.030  18.850  1.00 56.67           C  
-ATOM   4863  CG  GLN E  49      54.470  61.328  18.996  1.00 58.94           C  
-ATOM   4864  CD  GLN E  49      53.700  62.570  18.532  1.00 61.39           C  
-ATOM   4865  OE1 GLN E  49      53.658  63.600  19.220  1.00 56.64           O  
-ATOM   4866  NE2 GLN E  49      53.093  62.474  17.354  1.00 64.20           N  
-ATOM   4867  N   HIS E  50      52.392  57.669  20.942  1.00 52.89           N  
-ATOM   4868  CA  HIS E  50      52.708  56.633  21.919  1.00 49.67           C  
-ATOM   4869  C   HIS E  50      54.171  56.611  22.357  1.00 45.54           C  
-ATOM   4870  O   HIS E  50      55.079  56.613  21.528  1.00 44.66           O  
-ATOM   4871  CB  HIS E  50      52.329  55.262  21.359  1.00 54.80           C  
-ATOM   4872  CG  HIS E  50      53.069  54.122  21.995  1.00 61.32           C  
-ATOM   4873  ND1 HIS E  50      53.289  54.041  23.354  1.00 63.57           N  
-ATOM   4874  CD2 HIS E  50      53.631  53.011  21.459  1.00 62.42           C  
-ATOM   4875  CE1 HIS E  50      53.953  52.930  23.628  1.00 61.02           C  
-ATOM   4876  NE2 HIS E  50      54.173  52.288  22.495  1.00 60.87           N  
-ATOM   4877  N   GLY E  51      54.386  56.590  23.667  1.00 43.51           N  
-ATOM   4878  CA  GLY E  51      55.736  56.549  24.204  1.00 44.57           C  
-ATOM   4879  C   GLY E  51      56.557  57.821  24.069  1.00 43.25           C  
-ATOM   4880  O   GLY E  51      57.785  57.778  24.121  1.00 41.23           O  
-ATOM   4881  N   SER E  52      55.891  58.959  23.907  1.00 45.08           N  
-ATOM   4882  CA  SER E  52      56.591  60.236  23.775  1.00 47.09           C  
-ATOM   4883  C   SER E  52      57.349  60.603  25.055  1.00 45.10           C  
-ATOM   4884  O   SER E  52      56.981  60.180  26.154  1.00 50.31           O  
-ATOM   4885  CB  SER E  52      55.596  61.354  23.447  1.00 48.11           C  
-ATOM   4886  OG  SER E  52      54.956  61.838  24.616  1.00 51.28           O  
-ATOM   4887  N   ALA E  53      58.396  61.406  24.910  1.00 41.15           N  
-ATOM   4888  CA  ALA E  53      59.194  61.825  26.055  1.00 41.31           C  
-ATOM   4889  C   ALA E  53      58.347  62.685  26.974  1.00 38.73           C  
-ATOM   4890  O   ALA E  53      58.455  62.608  28.197  1.00 39.03           O  
-ATOM   4891  CB  ALA E  53      60.422  62.609  25.587  1.00 40.59           C  
-ATOM   4892  N   GLN E  54      57.510  63.520  26.375  1.00 36.57           N  
-ATOM   4893  CA  GLN E  54      56.638  64.384  27.152  1.00 37.16           C  
-ATOM   4894  C   GLN E  54      55.723  63.552  28.051  1.00 37.19           C  
-ATOM   4895  O   GLN E  54      55.704  63.731  29.275  1.00 39.48           O  
-ATOM   4896  CB  GLN E  54      55.808  65.259  26.221  1.00 35.38           C  
-ATOM   4897  CG  GLN E  54      56.509  66.527  25.811  1.00 34.97           C  
-ATOM   4898  CD  GLN E  54      55.609  67.447  25.005  1.00 38.77           C  
-ATOM   4899  OE1 GLN E  54      55.340  67.198  23.828  1.00 37.46           O  
-ATOM   4900  NE2 GLN E  54      55.126  68.512  25.642  1.00 35.00           N  
-ATOM   4901  N   ILE E  55      54.978  62.635  27.441  1.00 33.92           N  
-ATOM   4902  CA  ILE E  55      54.077  61.772  28.185  1.00 29.50           C  
-ATOM   4903  C   ILE E  55      54.804  61.053  29.317  1.00 28.34           C  
-ATOM   4904  O   ILE E  55      54.287  60.954  30.430  1.00 21.82           O  
-ATOM   4905  CB  ILE E  55      53.423  60.756  27.250  1.00 27.07           C  
-ATOM   4906  CG1 ILE E  55      52.340  61.459  26.431  1.00 23.63           C  
-ATOM   4907  CG2 ILE E  55      52.840  59.613  28.050  1.00 25.70           C  
-ATOM   4908  CD1 ILE E  55      51.733  60.611  25.353  1.00 20.30           C  
-ATOM   4909  N   LYS E  56      56.009  60.565  29.038  1.00 29.04           N  
-ATOM   4910  CA  LYS E  56      56.789  59.873  30.059  1.00 32.98           C  
-ATOM   4911  C   LYS E  56      57.129  60.821  31.200  1.00 30.44           C  
-ATOM   4912  O   LYS E  56      56.906  60.525  32.378  1.00 36.60           O  
-ATOM   4913  CB  LYS E  56      58.096  59.317  29.477  1.00 36.19           C  
-ATOM   4914  CG  LYS E  56      57.905  58.267  28.402  1.00 42.22           C  
-ATOM   4915  CD  LYS E  56      59.230  57.642  27.969  1.00 47.85           C  
-ATOM   4916  CE  LYS E  56      58.990  56.579  26.885  1.00 53.34           C  
-ATOM   4917  NZ  LYS E  56      60.236  55.909  26.396  1.00 51.18           N  
-ATOM   4918  N   ALA E  57      57.670  61.970  30.836  1.00 25.19           N  
-ATOM   4919  CA  ALA E  57      58.068  62.958  31.812  1.00 26.58           C  
-ATOM   4920  C   ALA E  57      56.886  63.368  32.681  1.00 29.86           C  
-ATOM   4921  O   ALA E  57      56.983  63.411  33.916  1.00 31.12           O  
-ATOM   4922  CB  ALA E  57      58.648  64.154  31.097  1.00 20.75           C  
-ATOM   4923  N   HIS E  58      55.765  63.659  32.031  1.00 30.61           N  
-ATOM   4924  CA  HIS E  58      54.567  64.060  32.748  1.00 29.80           C  
-ATOM   4925  C   HIS E  58      54.016  62.882  33.558  1.00 29.85           C  
-ATOM   4926  O   HIS E  58      53.630  63.040  34.723  1.00 29.37           O  
-ATOM   4927  CB  HIS E  58      53.509  64.568  31.771  1.00 29.20           C  
-ATOM   4928  CG  HIS E  58      52.459  65.399  32.430  1.00 36.50           C  
-ATOM   4929  ND1 HIS E  58      52.767  66.508  33.186  1.00 41.16           N  
-ATOM   4930  CD2 HIS E  58      51.116  65.258  32.497  1.00 40.71           C  
-ATOM   4931  CE1 HIS E  58      51.659  67.013  33.695  1.00 42.34           C  
-ATOM   4932  NE2 HIS E  58      50.642  66.273  33.293  1.00 44.76           N  
-ATOM   4933  N   GLY E  59      53.987  61.704  32.936  1.00 28.77           N  
-ATOM   4934  CA  GLY E  59      53.502  60.526  33.628  1.00 27.40           C  
-ATOM   4935  C   GLY E  59      54.197  60.445  34.973  1.00 27.67           C  
-ATOM   4936  O   GLY E  59      53.562  60.423  36.026  1.00 26.79           O  
-ATOM   4937  N   LYS E  60      55.522  60.429  34.927  1.00 28.00           N  
-ATOM   4938  CA  LYS E  60      56.334  60.360  36.131  1.00 27.71           C  
-ATOM   4939  C   LYS E  60      55.932  61.437  37.162  1.00 23.81           C  
-ATOM   4940  O   LYS E  60      55.852  61.167  38.361  1.00 19.92           O  
-ATOM   4941  CB  LYS E  60      57.812  60.514  35.740  1.00 27.31           C  
-ATOM   4942  CG  LYS E  60      58.806  60.322  36.882  1.00 37.30           C  
-ATOM   4943  CD  LYS E  60      60.243  60.475  36.385  1.00 43.11           C  
-ATOM   4944  CE  LYS E  60      61.244  60.462  37.530  1.00 47.88           C  
-ATOM   4945  NZ  LYS E  60      62.634  60.767  37.063  1.00 50.72           N  
-ATOM   4946  N   LYS E  61      55.669  62.651  36.693  1.00 19.26           N  
-ATOM   4947  CA  LYS E  61      55.307  63.756  37.582  1.00 22.62           C  
-ATOM   4948  C   LYS E  61      53.979  63.530  38.276  1.00 18.96           C  
-ATOM   4949  O   LYS E  61      53.826  63.803  39.470  1.00 14.14           O  
-ATOM   4950  CB  LYS E  61      55.238  65.059  36.791  1.00 27.41           C  
-ATOM   4951  CG  LYS E  61      56.548  65.451  36.176  1.00 32.20           C  
-ATOM   4952  CD  LYS E  61      57.432  66.177  37.176  1.00 38.15           C  
-ATOM   4953  CE  LYS E  61      57.399  67.668  36.900  1.00 39.58           C  
-ATOM   4954  NZ  LYS E  61      57.653  67.929  35.447  1.00 40.01           N  
-ATOM   4955  N   VAL E  62      53.017  63.052  37.502  1.00 15.67           N  
-ATOM   4956  CA  VAL E  62      51.692  62.759  38.013  1.00 17.87           C  
-ATOM   4957  C   VAL E  62      51.718  61.801  39.210  1.00 18.76           C  
-ATOM   4958  O   VAL E  62      51.302  62.150  40.319  1.00 18.89           O  
-ATOM   4959  CB  VAL E  62      50.836  62.140  36.915  1.00 16.17           C  
-ATOM   4960  CG1 VAL E  62      49.532  61.631  37.496  1.00 10.08           C  
-ATOM   4961  CG2 VAL E  62      50.590  63.176  35.829  1.00 24.66           C  
-ATOM   4962  N   VAL E  63      52.205  60.589  38.983  1.00 17.67           N  
-ATOM   4963  CA  VAL E  63      52.262  59.599  40.047  1.00 20.36           C  
-ATOM   4964  C   VAL E  63      53.196  60.046  41.183  1.00 21.91           C  
-ATOM   4965  O   VAL E  63      52.973  59.731  42.360  1.00 19.61           O  
-ATOM   4966  CB  VAL E  63      52.679  58.215  39.467  1.00 16.67           C  
-ATOM   4967  CG1 VAL E  63      53.487  58.415  38.212  1.00 16.56           C  
-ATOM   4968  CG2 VAL E  63      53.472  57.417  40.496  1.00 14.53           C  
-ATOM   4969  N   ALA E  64      54.232  60.797  40.833  1.00 22.78           N  
-ATOM   4970  CA  ALA E  64      55.169  61.293  41.833  1.00 22.21           C  
-ATOM   4971  C   ALA E  64      54.383  62.096  42.856  1.00 21.50           C  
-ATOM   4972  O   ALA E  64      54.658  62.029  44.052  1.00 26.06           O  
-ATOM   4973  CB  ALA E  64      56.224  62.180  41.171  1.00 22.99           C  
-ATOM   4974  N   ALA E  65      53.398  62.844  42.361  1.00 18.77           N  
-ATOM   4975  CA  ALA E  65      52.535  63.683  43.184  1.00 16.93           C  
-ATOM   4976  C   ALA E  65      51.540  62.873  44.016  1.00 18.92           C  
-ATOM   4977  O   ALA E  65      51.281  63.208  45.177  1.00 13.36           O  
-ATOM   4978  CB  ALA E  65      51.786  64.646  42.299  1.00 19.15           C  
-ATOM   4979  N   LEU E  66      50.974  61.827  43.410  1.00 19.93           N  
-ATOM   4980  CA  LEU E  66      50.020  60.965  44.095  1.00 19.26           C  
-ATOM   4981  C   LEU E  66      50.768  60.321  45.244  1.00 21.26           C  
-ATOM   4982  O   LEU E  66      50.220  60.147  46.341  1.00 21.71           O  
-ATOM   4983  CB  LEU E  66      49.493  59.887  43.146  1.00 20.79           C  
-ATOM   4984  CG  LEU E  66      48.610  60.349  41.984  1.00 16.86           C  
-ATOM   4985  CD1 LEU E  66      48.495  59.267  40.928  1.00 17.87           C  
-ATOM   4986  CD2 LEU E  66      47.250  60.695  42.520  1.00 16.76           C  
-ATOM   4987  N   VAL E  67      52.028  59.975  44.978  1.00 21.40           N  
-ATOM   4988  CA  VAL E  67      52.887  59.361  45.982  1.00 24.91           C  
-ATOM   4989  C   VAL E  67      53.080  60.364  47.101  1.00 27.05           C  
-ATOM   4990  O   VAL E  67      52.856  60.059  48.279  1.00 23.80           O  
-ATOM   4991  CB  VAL E  67      54.262  58.994  45.400  1.00 24.93           C  
-ATOM   4992  CG1 VAL E  67      55.210  58.573  46.532  1.00 22.50           C  
-ATOM   4993  CG2 VAL E  67      54.104  57.869  44.374  1.00 23.56           C  
-ATOM   4994  N   GLU E  68      53.482  61.570  46.716  1.00 29.78           N  
-ATOM   4995  CA  GLU E  68      53.690  62.641  47.675  1.00 32.72           C  
-ATOM   4996  C   GLU E  68      52.462  62.768  48.585  1.00 32.98           C  
-ATOM   4997  O   GLU E  68      52.600  62.957  49.792  1.00 36.88           O  
-ATOM   4998  CB  GLU E  68      53.944  63.965  46.944  1.00 35.64           C  
-ATOM   4999  CG  GLU E  68      54.565  65.021  47.838  1.00 42.70           C  
-ATOM   5000  CD  GLU E  68      55.881  64.556  48.428  1.00 48.13           C  
-ATOM   5001  OE1 GLU E  68      56.244  65.043  49.523  1.00 51.05           O  
-ATOM   5002  OE2 GLU E  68      56.552  63.705  47.795  1.00 49.25           O  
-ATOM   5003  N   ALA E  69      51.268  62.650  48.006  1.00 30.02           N  
-ATOM   5004  CA  ALA E  69      50.035  62.753  48.770  1.00 27.16           C  
-ATOM   5005  C   ALA E  69      49.912  61.618  49.773  1.00 28.50           C  
-ATOM   5006  O   ALA E  69      49.371  61.800  50.860  1.00 21.82           O  
-ATOM   5007  CB  ALA E  69      48.844  62.744  47.838  1.00 29.22           C  
-ATOM   5008  N   VAL E  70      50.412  60.441  49.413  1.00 32.79           N  
-ATOM   5009  CA  VAL E  70      50.330  59.305  50.324  1.00 34.83           C  
-ATOM   5010  C   VAL E  70      51.197  59.552  51.555  1.00 35.75           C  
-ATOM   5011  O   VAL E  70      50.810  59.215  52.674  1.00 39.71           O  
-ATOM   5012  CB  VAL E  70      50.768  57.981  49.639  1.00 34.53           C  
-ATOM   5013  CG1 VAL E  70      50.631  56.812  50.617  1.00 33.31           C  
-ATOM   5014  CG2 VAL E  70      49.912  57.723  48.403  1.00 32.73           C  
-ATOM   5015  N   ASN E  71      52.363  60.151  51.359  1.00 35.87           N  
-ATOM   5016  CA  ASN E  71      53.239  60.429  52.488  1.00 40.86           C  
-ATOM   5017  C   ASN E  71      52.558  61.377  53.463  1.00 42.41           C  
-ATOM   5018  O   ASN E  71      52.772  61.305  54.670  1.00 42.47           O  
-ATOM   5019  CB  ASN E  71      54.555  61.027  52.002  1.00 43.26           C  
-ATOM   5020  CG  ASN E  71      55.278  60.112  51.024  1.00 49.01           C  
-ATOM   5021  OD1 ASN E  71      55.270  58.886  51.182  1.00 45.57           O  
-ATOM   5022  ND2 ASN E  71      55.915  60.703  50.012  1.00 53.73           N  
-ATOM   5023  N   HIS E  72      51.719  62.256  52.930  1.00 44.40           N  
-ATOM   5024  CA  HIS E  72      50.999  63.214  53.756  1.00 46.32           C  
-ATOM   5025  C   HIS E  72      49.513  62.909  53.644  1.00 46.73           C  
-ATOM   5026  O   HIS E  72      48.674  63.821  53.583  1.00 47.75           O  
-ATOM   5027  CB  HIS E  72      51.291  64.634  53.270  1.00 47.38           C  
-ATOM   5028  CG  HIS E  72      52.752  64.936  53.156  1.00 51.31           C  
-ATOM   5029  ND1 HIS E  72      53.616  64.163  52.408  1.00 52.48           N  
-ATOM   5030  CD2 HIS E  72      53.506  65.920  53.700  1.00 53.54           C  
-ATOM   5031  CE1 HIS E  72      54.837  64.658  52.496  1.00 51.17           C  
-ATOM   5032  NE2 HIS E  72      54.799  65.724  53.273  1.00 51.88           N  
-ATOM   5033  N   ILE E  73      49.195  61.618  53.615  1.00 41.81           N  
-ATOM   5034  CA  ILE E  73      47.813  61.170  53.491  1.00 40.22           C  
-ATOM   5035  C   ILE E  73      46.915  61.704  54.607  1.00 41.16           C  
-ATOM   5036  O   ILE E  73      45.736  61.368  54.669  1.00 43.31           O  
-ATOM   5037  CB  ILE E  73      47.727  59.627  53.487  1.00 37.52           C  
-ATOM   5038  CG1 ILE E  73      46.417  59.189  52.840  1.00 35.64           C  
-ATOM   5039  CG2 ILE E  73      47.800  59.082  54.918  1.00 30.71           C  
-ATOM   5040  CD1 ILE E  73      46.312  57.704  52.655  1.00 37.51           C  
-ATOM   5041  N   ASP E  74      47.469  62.530  55.487  1.00 41.79           N  
-ATOM   5042  CA  ASP E  74      46.690  63.084  56.584  1.00 44.95           C  
-ATOM   5043  C   ASP E  74      46.302  64.524  56.284  1.00 47.61           C  
-ATOM   5044  O   ASP E  74      45.402  65.079  56.922  1.00 49.26           O  
-ATOM   5045  CB  ASP E  74      47.487  63.019  57.888  1.00 48.65           C  
-ATOM   5046  CG  ASP E  74      48.084  61.637  58.142  1.00 53.27           C  
-ATOM   5047  OD1 ASP E  74      49.215  61.377  57.661  1.00 53.48           O  
-ATOM   5048  OD2 ASP E  74      47.415  60.809  58.811  1.00 52.00           O  
-ATOM   5049  N   ASP E  75      46.980  65.116  55.299  1.00 48.00           N  
-ATOM   5050  CA  ASP E  75      46.723  66.494  54.895  1.00 46.11           C  
-ATOM   5051  C   ASP E  75      46.885  66.642  53.382  1.00 43.43           C  
-ATOM   5052  O   ASP E  75      47.703  67.436  52.907  1.00 37.40           O  
-ATOM   5053  CB  ASP E  75      47.688  67.438  55.616  1.00 48.60           C  
-ATOM   5054  CG  ASP E  75      47.252  68.892  55.536  1.00 53.94           C  
-ATOM   5055  OD1 ASP E  75      48.006  69.761  56.030  1.00 53.97           O  
-ATOM   5056  OD2 ASP E  75      46.156  69.164  54.988  1.00 57.51           O  
-ATOM   5057  N   ILE E  76      46.095  65.870  52.639  1.00 42.82           N  
-ATOM   5058  CA  ILE E  76      46.120  65.885  51.176  1.00 38.49           C  
-ATOM   5059  C   ILE E  76      45.988  67.301  50.626  1.00 37.03           C  
-ATOM   5060  O   ILE E  76      46.685  67.676  49.678  1.00 35.08           O  
-ATOM   5061  CB  ILE E  76      44.989  65.005  50.613  1.00 33.01           C  
-ATOM   5062  CG1 ILE E  76      45.152  63.586  51.146  1.00 27.26           C  
-ATOM   5063  CG2 ILE E  76      45.028  64.980  49.099  1.00 33.42           C  
-ATOM   5064  CD1 ILE E  76      44.124  62.638  50.619  1.00 32.91           C  
-ATOM   5065  N   ALA E  77      45.093  68.078  51.228  1.00 38.64           N  
-ATOM   5066  CA  ALA E  77      44.877  69.460  50.819  1.00 40.76           C  
-ATOM   5067  C   ALA E  77      46.201  70.220  50.898  1.00 44.22           C  
-ATOM   5068  O   ALA E  77      46.707  70.708  49.880  1.00 49.13           O  
-ATOM   5069  CB  ALA E  77      43.842  70.121  51.725  1.00 39.53           C  
-ATOM   5070  N   GLY E  78      46.762  70.307  52.105  1.00 42.33           N  
-ATOM   5071  CA  GLY E  78      48.018  71.010  52.288  1.00 39.71           C  
-ATOM   5072  C   GLY E  78      49.050  70.517  51.298  1.00 40.33           C  
-ATOM   5073  O   GLY E  78      49.691  71.306  50.601  1.00 41.42           O  
-ATOM   5074  N   ALA E  79      49.182  69.196  51.224  1.00 40.90           N  
-ATOM   5075  CA  ALA E  79      50.136  68.551  50.332  1.00 37.77           C  
-ATOM   5076  C   ALA E  79      49.974  68.949  48.878  1.00 37.21           C  
-ATOM   5077  O   ALA E  79      50.962  69.027  48.150  1.00 35.83           O  
-ATOM   5078  CB  ALA E  79      50.022  67.038  50.457  1.00 38.10           C  
-ATOM   5079  N   LEU E  80      48.742  69.212  48.451  1.00 36.15           N  
-ATOM   5080  CA  LEU E  80      48.521  69.561  47.055  1.00 36.49           C  
-ATOM   5081  C   LEU E  80      47.910  70.927  46.814  1.00 37.12           C  
-ATOM   5082  O   LEU E  80      47.431  71.206  45.707  1.00 38.80           O  
-ATOM   5083  CB  LEU E  80      47.657  68.485  46.390  1.00 33.45           C  
-ATOM   5084  CG  LEU E  80      48.216  67.063  46.528  1.00 27.49           C  
-ATOM   5085  CD1 LEU E  80      47.149  66.143  47.093  1.00 18.75           C  
-ATOM   5086  CD2 LEU E  80      48.705  66.568  45.180  1.00 14.11           C  
-ATOM   5087  N   SER E  81      47.938  71.782  47.832  1.00 35.29           N  
-ATOM   5088  CA  SER E  81      47.374  73.128  47.701  1.00 38.24           C  
-ATOM   5089  C   SER E  81      47.862  73.852  46.444  1.00 36.45           C  
-ATOM   5090  O   SER E  81      47.075  74.482  45.741  1.00 38.67           O  
-ATOM   5091  CB  SER E  81      47.720  73.964  48.932  1.00 40.02           C  
-ATOM   5092  OG  SER E  81      49.075  73.759  49.302  1.00 44.30           O  
-ATOM   5093  N   LYS E  82      49.157  73.754  46.162  1.00 33.10           N  
-ATOM   5094  CA  LYS E  82      49.738  74.410  44.996  1.00 32.07           C  
-ATOM   5095  C   LYS E  82      49.171  73.856  43.681  1.00 28.62           C  
-ATOM   5096  O   LYS E  82      49.037  74.579  42.693  1.00 21.39           O  
-ATOM   5097  CB  LYS E  82      51.263  74.239  45.030  1.00 36.25           C  
-ATOM   5098  CG  LYS E  82      52.058  75.375  44.402  1.00 42.11           C  
-ATOM   5099  CD  LYS E  82      51.780  75.512  42.902  1.00 50.27           C  
-ATOM   5100  CE  LYS E  82      51.340  76.939  42.538  1.00 53.12           C  
-ATOM   5101  NZ  LYS E  82      50.077  77.365  43.246  1.00 53.11           N  
-ATOM   5102  N   LEU E  83      48.831  72.574  43.671  1.00 27.72           N  
-ATOM   5103  CA  LEU E  83      48.299  71.966  42.463  1.00 32.77           C  
-ATOM   5104  C   LEU E  83      46.809  72.198  42.260  1.00 33.13           C  
-ATOM   5105  O   LEU E  83      46.316  72.114  41.133  1.00 34.04           O  
-ATOM   5106  CB  LEU E  83      48.592  70.470  42.452  1.00 36.77           C  
-ATOM   5107  CG  LEU E  83      50.059  70.074  42.279  1.00 37.09           C  
-ATOM   5108  CD1 LEU E  83      50.183  68.585  42.531  1.00 41.34           C  
-ATOM   5109  CD2 LEU E  83      50.548  70.424  40.883  1.00 36.71           C  
-ATOM   5110  N   SER E  84      46.083  72.479  43.337  1.00 34.08           N  
-ATOM   5111  CA  SER E  84      44.650  72.737  43.203  1.00 34.27           C  
-ATOM   5112  C   SER E  84      44.484  74.134  42.604  1.00 31.55           C  
-ATOM   5113  O   SER E  84      43.495  74.425  41.943  1.00 32.75           O  
-ATOM   5114  CB  SER E  84      43.928  72.615  44.563  1.00 31.89           C  
-ATOM   5115  OG  SER E  84      44.508  73.438  45.560  1.00 36.19           O  
-ATOM   5116  N   ASP E  85      45.465  74.996  42.838  1.00 29.91           N  
-ATOM   5117  CA  ASP E  85      45.427  76.338  42.274  1.00 31.43           C  
-ATOM   5118  C   ASP E  85      45.519  76.138  40.784  1.00 25.14           C  
-ATOM   5119  O   ASP E  85      44.683  76.586  40.016  1.00 23.66           O  
-ATOM   5120  CB  ASP E  85      46.647  77.158  42.696  1.00 38.45           C  
-ATOM   5121  CG  ASP E  85      46.406  77.994  43.937  1.00 45.83           C  
-ATOM   5122  OD1 ASP E  85      47.252  78.876  44.195  1.00 47.79           O  
-ATOM   5123  OD2 ASP E  85      45.397  77.776  44.652  1.00 49.76           O  
-ATOM   5124  N   LEU E  86      46.570  75.441  40.402  1.00 22.20           N  
-ATOM   5125  CA  LEU E  86      46.851  75.159  39.021  1.00 25.73           C  
-ATOM   5126  C   LEU E  86      45.682  74.514  38.256  1.00 25.55           C  
-ATOM   5127  O   LEU E  86      45.291  74.989  37.183  1.00 23.31           O  
-ATOM   5128  CB  LEU E  86      48.085  74.258  38.954  1.00 23.79           C  
-ATOM   5129  CG  LEU E  86      48.980  74.314  37.721  1.00 22.52           C  
-ATOM   5130  CD1 LEU E  86      49.860  73.091  37.771  1.00 30.83           C  
-ATOM   5131  CD2 LEU E  86      48.184  74.329  36.429  1.00 23.85           C  
-ATOM   5132  N   HIS E  87      45.124  73.436  38.801  1.00 25.93           N  
-ATOM   5133  CA  HIS E  87      44.049  72.728  38.106  1.00 24.66           C  
-ATOM   5134  C   HIS E  87      42.684  73.379  38.210  1.00 24.00           C  
-ATOM   5135  O   HIS E  87      41.835  73.165  37.346  1.00 26.51           O  
-ATOM   5136  CB  HIS E  87      43.963  71.260  38.577  1.00 22.64           C  
-ATOM   5137  CG  HIS E  87      45.133  70.413  38.162  1.00 22.38           C  
-ATOM   5138  ND1 HIS E  87      46.357  70.461  38.801  1.00 18.58           N  
-ATOM   5139  CD2 HIS E  87      45.275  69.522  37.147  1.00 24.84           C  
-ATOM   5140  CE1 HIS E  87      47.199  69.638  38.196  1.00 25.74           C  
-ATOM   5141  NE2 HIS E  87      46.570  69.055  37.188  1.00 23.23           N  
-ATOM   5142  N   ALA E  88      42.477  74.182  39.251  1.00 23.57           N  
-ATOM   5143  CA  ALA E  88      41.194  74.854  39.461  1.00 21.31           C  
-ATOM   5144  C   ALA E  88      41.175  76.278  38.918  1.00 23.79           C  
-ATOM   5145  O   ALA E  88      40.504  76.549  37.927  1.00 30.55           O  
-ATOM   5146  CB  ALA E  88      40.833  74.859  40.954  1.00 11.81           C  
-ATOM   5147  N   GLN E  89      41.911  77.182  39.560  1.00 24.58           N  
-ATOM   5148  CA  GLN E  89      41.962  78.590  39.149  1.00 27.00           C  
-ATOM   5149  C   GLN E  89      42.549  78.841  37.763  1.00 26.46           C  
-ATOM   5150  O   GLN E  89      42.005  79.622  36.987  1.00 24.99           O  
-ATOM   5151  CB  GLN E  89      42.774  79.405  40.159  1.00 31.30           C  
-ATOM   5152  CG  GLN E  89      42.266  79.313  41.586  1.00 45.34           C  
-ATOM   5153  CD  GLN E  89      41.059  80.197  41.834  1.00 56.15           C  
-ATOM   5154  OE1 GLN E  89      40.422  80.118  42.894  1.00 59.31           O  
-ATOM   5155  NE2 GLN E  89      40.739  81.056  40.859  1.00 59.36           N  
-ATOM   5156  N   LYS E  90      43.659  78.178  37.460  1.00 25.85           N  
-ATOM   5157  CA  LYS E  90      44.353  78.361  36.192  1.00 26.14           C  
-ATOM   5158  C   LYS E  90      43.791  77.616  34.966  1.00 27.87           C  
-ATOM   5159  O   LYS E  90      43.212  78.236  34.075  1.00 30.37           O  
-ATOM   5160  CB  LYS E  90      45.820  78.005  36.392  1.00 29.03           C  
-ATOM   5161  CG  LYS E  90      46.713  78.273  35.200  1.00 41.47           C  
-ATOM   5162  CD  LYS E  90      47.192  79.713  35.144  1.00 46.86           C  
-ATOM   5163  CE  LYS E  90      48.250  79.883  34.037  1.00 50.98           C  
-ATOM   5164  NZ  LYS E  90      49.481  79.057  34.290  1.00 50.78           N  
-ATOM   5165  N   LEU E  91      43.966  76.297  34.922  1.00 26.47           N  
-ATOM   5166  CA  LEU E  91      43.502  75.458  33.806  1.00 24.56           C  
-ATOM   5167  C   LEU E  91      41.984  75.242  33.718  1.00 25.05           C  
-ATOM   5168  O   LEU E  91      41.469  74.886  32.645  1.00 17.32           O  
-ATOM   5169  CB  LEU E  91      44.153  74.081  33.908  1.00 26.29           C  
-ATOM   5170  CG  LEU E  91      45.675  74.016  34.055  1.00 29.71           C  
-ATOM   5171  CD1 LEU E  91      46.096  72.602  34.458  1.00 23.94           C  
-ATOM   5172  CD2 LEU E  91      46.334  74.434  32.736  1.00 25.84           C  
-ATOM   5173  N   ARG E  92      41.296  75.455  34.850  1.00 23.83           N  
-ATOM   5174  CA  ARG E  92      39.848  75.244  35.007  1.00 23.41           C  
-ATOM   5175  C   ARG E  92      39.518  73.846  34.485  1.00 25.50           C  
-ATOM   5176  O   ARG E  92      38.713  73.698  33.556  1.00 28.76           O  
-ATOM   5177  CB  ARG E  92      38.993  76.258  34.225  1.00 24.68           C  
-ATOM   5178  CG  ARG E  92      39.484  77.690  34.145  1.00 29.47           C  
-ATOM   5179  CD  ARG E  92      39.625  78.386  35.488  1.00 35.77           C  
-ATOM   5180  NE  ARG E  92      38.382  78.555  36.241  1.00 33.64           N  
-ATOM   5181  CZ  ARG E  92      38.124  79.607  37.017  1.00 30.84           C  
-ATOM   5182  NH1 ARG E  92      39.009  80.590  37.128  1.00 25.67           N  
-ATOM   5183  NH2 ARG E  92      37.004  79.655  37.721  1.00 31.65           N  
-ATOM   5184  N   VAL E  93      40.142  72.820  35.068  1.00 22.94           N  
-ATOM   5185  CA  VAL E  93      39.889  71.452  34.628  1.00 17.32           C  
-ATOM   5186  C   VAL E  93      38.526  70.988  35.077  1.00 18.70           C  
-ATOM   5187  O   VAL E  93      38.187  71.088  36.269  1.00 16.32           O  
-ATOM   5188  CB  VAL E  93      40.905  70.450  35.183  1.00 13.79           C  
-ATOM   5189  CG1 VAL E  93      40.537  69.023  34.698  1.00  7.13           C  
-ATOM   5190  CG2 VAL E  93      42.307  70.837  34.748  1.00  9.52           C  
-ATOM   5191  N   ASP E  94      37.752  70.480  34.118  1.00 19.73           N  
-ATOM   5192  CA  ASP E  94      36.414  69.984  34.396  1.00 17.03           C  
-ATOM   5193  C   ASP E  94      36.559  68.804  35.338  1.00 19.29           C  
-ATOM   5194  O   ASP E  94      37.257  67.824  35.034  1.00 22.95           O  
-ATOM   5195  CB  ASP E  94      35.731  69.532  33.111  1.00 19.76           C  
-ATOM   5196  CG  ASP E  94      34.263  69.220  33.313  1.00 23.98           C  
-ATOM   5197  OD1 ASP E  94      33.925  68.581  34.332  1.00 23.64           O  
-ATOM   5198  OD2 ASP E  94      33.447  69.600  32.445  1.00 25.96           O  
-ATOM   5199  N   PRO E  95      35.914  68.882  36.506  1.00 15.37           N  
-ATOM   5200  CA  PRO E  95      35.961  67.821  37.514  1.00 13.68           C  
-ATOM   5201  C   PRO E  95      35.651  66.432  36.944  1.00 12.62           C  
-ATOM   5202  O   PRO E  95      36.041  65.418  37.523  1.00 13.71           O  
-ATOM   5203  CB  PRO E  95      34.936  68.281  38.549  1.00  5.84           C  
-ATOM   5204  CG  PRO E  95      33.998  69.081  37.769  1.00  8.86           C  
-ATOM   5205  CD  PRO E  95      34.907  69.884  36.860  1.00 13.23           C  
-ATOM   5206  N   VAL E  96      34.968  66.383  35.802  1.00  8.67           N  
-ATOM   5207  CA  VAL E  96      34.640  65.105  35.186  1.00 12.13           C  
-ATOM   5208  C   VAL E  96      35.859  64.308  34.684  1.00 12.27           C  
-ATOM   5209  O   VAL E  96      35.840  63.086  34.708  1.00  8.63           O  
-ATOM   5210  CB  VAL E  96      33.690  65.286  34.013  1.00  7.65           C  
-ATOM   5211  CG1 VAL E  96      34.468  65.711  32.783  1.00 18.52           C  
-ATOM   5212  CG2 VAL E  96      32.960  63.994  33.749  1.00 11.48           C  
-ATOM   5213  N   ASN E  97      36.907  64.999  34.230  1.00 15.29           N  
-ATOM   5214  CA  ASN E  97      38.112  64.334  33.724  1.00 17.31           C  
-ATOM   5215  C   ASN E  97      38.936  63.648  34.788  1.00 15.74           C  
-ATOM   5216  O   ASN E  97      39.721  62.756  34.471  1.00 16.94           O  
-ATOM   5217  CB  ASN E  97      39.029  65.313  32.992  1.00 22.79           C  
-ATOM   5218  CG  ASN E  97      38.434  65.813  31.694  1.00 22.85           C  
-ATOM   5219  OD1 ASN E  97      38.034  66.967  31.585  1.00 27.11           O  
-ATOM   5220  ND2 ASN E  97      38.370  64.946  30.705  1.00 20.34           N  
-ATOM   5221  N   PHE E  98      38.783  64.070  36.041  1.00 12.17           N  
-ATOM   5222  CA  PHE E  98      39.536  63.442  37.118  1.00 10.72           C  
-ATOM   5223  C   PHE E  98      39.081  61.995  37.229  1.00  9.85           C  
-ATOM   5224  O   PHE E  98      39.862  61.112  37.582  1.00  8.39           O  
-ATOM   5225  CB  PHE E  98      39.358  64.208  38.435  1.00 10.82           C  
-ATOM   5226  CG  PHE E  98      40.194  65.459  38.515  1.00 17.13           C  
-ATOM   5227  CD1 PHE E  98      41.489  65.413  39.011  1.00 19.20           C  
-ATOM   5228  CD2 PHE E  98      39.725  66.666  37.992  1.00 22.73           C  
-ATOM   5229  CE1 PHE E  98      42.314  66.543  38.978  1.00 21.57           C  
-ATOM   5230  CE2 PHE E  98      40.547  67.802  37.955  1.00 23.73           C  
-ATOM   5231  CZ  PHE E  98      41.844  67.739  38.448  1.00 16.11           C  
-ATOM   5232  N   LYS E  99      37.825  61.743  36.891  1.00  7.98           N  
-ATOM   5233  CA  LYS E  99      37.331  60.383  36.915  1.00 11.19           C  
-ATOM   5234  C   LYS E  99      38.115  59.562  35.887  1.00 13.23           C  
-ATOM   5235  O   LYS E  99      38.674  58.519  36.224  1.00 14.72           O  
-ATOM   5236  CB  LYS E  99      35.844  60.339  36.577  1.00 18.36           C  
-ATOM   5237  CG  LYS E  99      34.912  60.625  37.742  1.00 28.32           C  
-ATOM   5238  CD  LYS E  99      33.540  61.054  37.208  1.00 40.52           C  
-ATOM   5239  CE  LYS E  99      32.603  61.559  38.302  1.00 42.92           C  
-ATOM   5240  NZ  LYS E  99      31.349  62.133  37.703  1.00 46.46           N  
-ATOM   5241  N   PHE E 100      38.167  60.030  34.640  1.00 13.01           N  
-ATOM   5242  CA  PHE E 100      38.886  59.314  33.589  1.00  9.97           C  
-ATOM   5243  C   PHE E 100      40.301  58.939  33.986  1.00 15.38           C  
-ATOM   5244  O   PHE E 100      40.734  57.814  33.740  1.00 22.53           O  
-ATOM   5245  CB  PHE E 100      38.975  60.151  32.334  1.00 15.15           C  
-ATOM   5246  CG  PHE E 100      37.674  60.708  31.886  1.00 18.97           C  
-ATOM   5247  CD1 PHE E 100      37.622  61.947  31.264  1.00 24.08           C  
-ATOM   5248  CD2 PHE E 100      36.502  60.003  32.069  1.00 19.12           C  
-ATOM   5249  CE1 PHE E 100      36.412  62.475  30.831  1.00 24.55           C  
-ATOM   5250  CE2 PHE E 100      35.292  60.519  31.640  1.00 16.03           C  
-ATOM   5251  CZ  PHE E 100      35.246  61.755  31.020  1.00 20.69           C  
-ATOM   5252  N   LEU E 101      41.036  59.868  34.590  1.00 12.42           N  
-ATOM   5253  CA  LEU E 101      42.417  59.571  34.978  1.00 14.00           C  
-ATOM   5254  C   LEU E 101      42.540  58.519  36.084  1.00 13.64           C  
-ATOM   5255  O   LEU E 101      43.394  57.637  36.014  1.00 11.20           O  
-ATOM   5256  CB  LEU E 101      43.135  60.850  35.397  1.00 14.33           C  
-ATOM   5257  CG  LEU E 101      44.659  60.742  35.449  1.00 14.79           C  
-ATOM   5258  CD1 LEU E 101      45.266  62.080  35.072  1.00 14.97           C  
-ATOM   5259  CD2 LEU E 101      45.103  60.299  36.827  1.00 11.06           C  
-ATOM   5260  N   GLY E 102      41.688  58.610  37.103  1.00 16.45           N  
-ATOM   5261  CA  GLY E 102      41.724  57.635  38.186  1.00  9.28           C  
-ATOM   5262  C   GLY E 102      41.405  56.248  37.661  1.00  6.72           C  
-ATOM   5263  O   GLY E 102      42.001  55.252  38.080  1.00  4.82           O  
-ATOM   5264  N   HIS E 103      40.459  56.195  36.727  1.00  5.76           N  
-ATOM   5265  CA  HIS E 103      40.027  54.950  36.104  1.00  4.80           C  
-ATOM   5266  C   HIS E 103      41.173  54.251  35.404  1.00  6.03           C  
-ATOM   5267  O   HIS E 103      41.433  53.076  35.603  1.00  3.68           O  
-ATOM   5268  CB  HIS E 103      38.965  55.249  35.074  1.00  4.73           C  
-ATOM   5269  CG  HIS E 103      38.418  54.034  34.406  1.00  9.05           C  
-ATOM   5270  ND1 HIS E 103      37.915  52.965  35.114  1.00 10.22           N  
-ATOM   5271  CD2 HIS E 103      38.253  53.733  33.098  1.00 11.56           C  
-ATOM   5272  CE1 HIS E 103      37.464  52.055  34.270  1.00 12.02           C  
-ATOM   5273  NE2 HIS E 103      37.656  52.497  33.042  1.00 14.03           N  
-ATOM   5274  N   CYS E 104      41.844  54.990  34.547  1.00 11.86           N  
-ATOM   5275  CA  CYS E 104      42.953  54.430  33.825  1.00 17.37           C  
-ATOM   5276  C   CYS E 104      44.038  53.985  34.800  1.00 18.07           C  
-ATOM   5277  O   CYS E 104      44.616  52.908  34.626  1.00 19.59           O  
-ATOM   5278  CB  CYS E 104      43.468  55.451  32.818  1.00 18.12           C  
-ATOM   5279  SG  CYS E 104      42.253  55.707  31.529  1.00 11.94           S  
-ATOM   5280  N   PHE E 105      44.304  54.789  35.826  1.00  8.34           N  
-ATOM   5281  CA  PHE E 105      45.310  54.403  36.806  1.00 12.28           C  
-ATOM   5282  C   PHE E 105      45.019  53.001  37.389  1.00 17.43           C  
-ATOM   5283  O   PHE E 105      45.912  52.150  37.488  1.00 17.65           O  
-ATOM   5284  CB  PHE E 105      45.346  55.411  37.932  1.00 11.85           C  
-ATOM   5285  CG  PHE E 105      46.463  55.195  38.896  1.00 13.39           C  
-ATOM   5286  CD1 PHE E 105      46.201  54.826  40.210  1.00 14.99           C  
-ATOM   5287  CD2 PHE E 105      47.786  55.388  38.497  1.00 12.40           C  
-ATOM   5288  CE1 PHE E 105      47.255  54.653  41.134  1.00 21.09           C  
-ATOM   5289  CE2 PHE E 105      48.843  55.219  39.399  1.00 13.64           C  
-ATOM   5290  CZ  PHE E 105      48.580  54.852  40.723  1.00 20.04           C  
-ATOM   5291  N   LEU E 106      43.771  52.763  37.776  1.00 14.27           N  
-ATOM   5292  CA  LEU E 106      43.384  51.472  38.316  1.00 12.09           C  
-ATOM   5293  C   LEU E 106      43.594  50.384  37.275  1.00  9.94           C  
-ATOM   5294  O   LEU E 106      43.983  49.260  37.604  1.00  5.00           O  
-ATOM   5295  CB  LEU E 106      41.923  51.515  38.758  1.00 16.85           C  
-ATOM   5296  CG  LEU E 106      41.710  52.521  39.894  1.00 19.09           C  
-ATOM   5297  CD1 LEU E 106      40.251  52.918  39.967  1.00 20.29           C  
-ATOM   5298  CD2 LEU E 106      42.211  51.922  41.211  1.00 20.25           C  
-ATOM   5299  N   VAL E 107      43.344  50.712  36.012  1.00 10.34           N  
-ATOM   5300  CA  VAL E 107      43.547  49.732  34.950  1.00 12.30           C  
-ATOM   5301  C   VAL E 107      45.025  49.335  34.870  1.00 11.52           C  
-ATOM   5302  O   VAL E 107      45.361  48.157  34.717  1.00  7.03           O  
-ATOM   5303  CB  VAL E 107      43.084  50.284  33.589  1.00 12.47           C  
-ATOM   5304  CG1 VAL E 107      43.767  49.539  32.447  1.00  6.50           C  
-ATOM   5305  CG2 VAL E 107      41.572  50.112  33.475  1.00 13.68           C  
-ATOM   5306  N   VAL E 108      45.902  50.328  34.996  1.00 11.58           N  
-ATOM   5307  CA  VAL E 108      47.340  50.099  34.937  1.00 10.69           C  
-ATOM   5308  C   VAL E 108      47.794  49.213  36.085  1.00 13.82           C  
-ATOM   5309  O   VAL E 108      48.513  48.223  35.864  1.00 17.84           O  
-ATOM   5310  CB  VAL E 108      48.135  51.448  34.932  1.00 10.19           C  
-ATOM   5311  CG1 VAL E 108      49.628  51.208  35.184  1.00  3.36           C  
-ATOM   5312  CG2 VAL E 108      47.950  52.142  33.586  1.00  3.36           C  
-ATOM   5313  N   VAL E 109      47.382  49.546  37.306  1.00 12.35           N  
-ATOM   5314  CA  VAL E 109      47.751  48.719  38.465  1.00 12.23           C  
-ATOM   5315  C   VAL E 109      47.220  47.270  38.280  1.00  7.90           C  
-ATOM   5316  O   VAL E 109      47.932  46.300  38.538  1.00  3.36           O  
-ATOM   5317  CB  VAL E 109      47.206  49.355  39.791  1.00 10.55           C  
-ATOM   5318  CG1 VAL E 109      47.383  48.417  40.961  1.00 12.55           C  
-ATOM   5319  CG2 VAL E 109      47.947  50.635  40.085  1.00  6.46           C  
-ATOM   5320  N   ALA E 110      45.986  47.136  37.799  1.00  6.21           N  
-ATOM   5321  CA  ALA E 110      45.394  45.820  37.583  1.00 10.77           C  
-ATOM   5322  C   ALA E 110      46.233  44.958  36.643  1.00 16.27           C  
-ATOM   5323  O   ALA E 110      46.427  43.760  36.878  1.00 17.06           O  
-ATOM   5324  CB  ALA E 110      43.988  45.960  37.028  1.00  6.80           C  
-ATOM   5325  N   ILE E 111      46.728  45.564  35.572  1.00 17.95           N  
-ATOM   5326  CA  ILE E 111      47.539  44.830  34.617  1.00 17.79           C  
-ATOM   5327  C   ILE E 111      48.899  44.385  35.168  1.00 20.68           C  
-ATOM   5328  O   ILE E 111      49.341  43.274  34.884  1.00 25.22           O  
-ATOM   5329  CB  ILE E 111      47.758  45.657  33.341  1.00 13.32           C  
-ATOM   5330  CG1 ILE E 111      46.427  45.797  32.591  1.00  8.68           C  
-ATOM   5331  CG2 ILE E 111      48.818  45.009  32.493  1.00 10.94           C  
-ATOM   5332  CD1 ILE E 111      46.521  46.361  31.228  1.00  3.36           C  
-ATOM   5333  N   HIS E 112      49.558  45.225  35.964  1.00 17.87           N  
-ATOM   5334  CA  HIS E 112      50.871  44.857  36.491  1.00 17.56           C  
-ATOM   5335  C   HIS E 112      50.935  44.235  37.891  1.00 19.98           C  
-ATOM   5336  O   HIS E 112      51.864  43.493  38.203  1.00 23.39           O  
-ATOM   5337  CB  HIS E 112      51.804  46.060  36.445  1.00 20.80           C  
-ATOM   5338  CG  HIS E 112      51.961  46.647  35.076  1.00 32.13           C  
-ATOM   5339  ND1 HIS E 112      52.947  47.559  34.765  1.00 33.81           N  
-ATOM   5340  CD2 HIS E 112      51.242  46.470  33.940  1.00 31.22           C  
-ATOM   5341  CE1 HIS E 112      52.830  47.917  33.499  1.00 35.87           C  
-ATOM   5342  NE2 HIS E 112      51.803  47.270  32.976  1.00 32.00           N  
-ATOM   5343  N   HIS E 113      49.973  44.527  38.748  1.00 16.52           N  
-ATOM   5344  CA  HIS E 113      50.016  43.955  40.076  1.00 16.51           C  
-ATOM   5345  C   HIS E 113      48.640  43.520  40.500  1.00 17.84           C  
-ATOM   5346  O   HIS E 113      48.145  43.948  41.543  1.00 21.35           O  
-ATOM   5347  CB  HIS E 113      50.561  44.968  41.075  1.00 20.91           C  
-ATOM   5348  CG  HIS E 113      51.986  45.368  40.824  1.00 27.17           C  
-ATOM   5349  ND1 HIS E 113      52.393  45.993  39.665  1.00 26.51           N  
-ATOM   5350  CD2 HIS E 113      53.084  45.293  41.615  1.00 28.41           C  
-ATOM   5351  CE1 HIS E 113      53.677  46.292  39.755  1.00 25.58           C  
-ATOM   5352  NE2 HIS E 113      54.119  45.879  40.929  1.00 28.53           N  
-ATOM   5353  N   PRO E 114      48.011  42.644  39.700  1.00 15.29           N  
-ATOM   5354  CA  PRO E 114      46.670  42.089  39.910  1.00 16.33           C  
-ATOM   5355  C   PRO E 114      46.453  41.470  41.291  1.00 18.35           C  
-ATOM   5356  O   PRO E 114      45.322  41.344  41.761  1.00 21.77           O  
-ATOM   5357  CB  PRO E 114      46.547  41.068  38.784  1.00 16.32           C  
-ATOM   5358  CG  PRO E 114      47.960  40.658  38.545  1.00  4.77           C  
-ATOM   5359  CD  PRO E 114      48.678  41.956  38.586  1.00  8.81           C  
-ATOM   5360  N   SER E 115      47.539  41.087  41.940  1.00 17.49           N  
-ATOM   5361  CA  SER E 115      47.447  40.507  43.265  1.00 25.78           C  
-ATOM   5362  C   SER E 115      47.464  41.627  44.295  1.00 25.90           C  
-ATOM   5363  O   SER E 115      46.950  41.478  45.400  1.00 31.25           O  
-ATOM   5364  CB  SER E 115      48.633  39.581  43.507  1.00 29.09           C  
-ATOM   5365  OG  SER E 115      49.835  40.232  43.136  1.00 40.59           O  
-ATOM   5366  N   ALA E 116      48.075  42.745  43.928  1.00 23.21           N  
-ATOM   5367  CA  ALA E 116      48.162  43.884  44.825  1.00 21.94           C  
-ATOM   5368  C   ALA E 116      46.852  44.649  44.864  1.00 20.12           C  
-ATOM   5369  O   ALA E 116      46.595  45.374  45.815  1.00 24.85           O  
-ATOM   5370  CB  ALA E 116      49.289  44.813  44.379  1.00 20.14           C  
-ATOM   5371  N   LEU E 117      46.026  44.475  43.834  1.00 15.33           N  
-ATOM   5372  CA  LEU E 117      44.764  45.181  43.742  1.00 13.59           C  
-ATOM   5373  C   LEU E 117      43.549  44.357  44.144  1.00 18.11           C  
-ATOM   5374  O   LEU E 117      42.602  44.194  43.362  1.00 14.55           O  
-ATOM   5375  CB  LEU E 117      44.556  45.715  42.325  1.00 16.61           C  
-ATOM   5376  CG  LEU E 117      43.400  46.718  42.199  1.00 19.02           C  
-ATOM   5377  CD1 LEU E 117      43.690  47.953  43.051  1.00 14.24           C  
-ATOM   5378  CD2 LEU E 117      43.196  47.103  40.748  1.00 13.60           C  
-ATOM   5379  N   THR E 118      43.559  43.850  45.371  1.00 18.63           N  
-ATOM   5380  CA  THR E 118      42.431  43.075  45.846  1.00 19.28           C  
-ATOM   5381  C   THR E 118      41.247  44.045  45.939  1.00 19.61           C  
-ATOM   5382  O   THR E 118      41.450  45.265  45.999  1.00 18.90           O  
-ATOM   5383  CB  THR E 118      42.744  42.446  47.219  1.00 21.79           C  
-ATOM   5384  OG1 THR E 118      42.910  43.471  48.204  1.00 32.91           O  
-ATOM   5385  CG2 THR E 118      44.023  41.658  47.142  1.00 17.86           C  
-ATOM   5386  N   ALA E 119      40.024  43.512  45.940  1.00 13.91           N  
-ATOM   5387  CA  ALA E 119      38.822  44.343  45.999  1.00 10.92           C  
-ATOM   5388  C   ALA E 119      38.802  45.330  47.155  1.00 14.23           C  
-ATOM   5389  O   ALA E 119      38.246  46.418  47.044  1.00 15.32           O  
-ATOM   5390  CB  ALA E 119      37.590  43.468  46.057  1.00  6.51           C  
-ATOM   5391  N   GLU E 120      39.415  44.954  48.267  1.00 21.73           N  
-ATOM   5392  CA  GLU E 120      39.431  45.816  49.437  1.00 27.88           C  
-ATOM   5393  C   GLU E 120      40.251  47.052  49.139  1.00 23.71           C  
-ATOM   5394  O   GLU E 120      39.819  48.181  49.372  1.00 29.76           O  
-ATOM   5395  CB  GLU E 120      40.005  45.058  50.634  1.00 36.56           C  
-ATOM   5396  CG  GLU E 120      39.256  45.310  51.930  1.00 45.88           C  
-ATOM   5397  CD  GLU E 120      39.662  44.350  53.032  1.00 52.15           C  
-ATOM   5398  OE1 GLU E 120      40.858  44.331  53.397  1.00 54.68           O  
-ATOM   5399  OE2 GLU E 120      38.783  43.616  53.536  1.00 54.91           O  
-ATOM   5400  N   VAL E 121      41.442  46.842  48.612  1.00 20.85           N  
-ATOM   5401  CA  VAL E 121      42.292  47.969  48.262  1.00 22.20           C  
-ATOM   5402  C   VAL E 121      41.550  48.819  47.221  1.00 19.45           C  
-ATOM   5403  O   VAL E 121      41.472  50.044  47.349  1.00 23.48           O  
-ATOM   5404  CB  VAL E 121      43.645  47.478  47.697  1.00 22.74           C  
-ATOM   5405  CG1 VAL E 121      44.485  48.651  47.248  1.00 24.27           C  
-ATOM   5406  CG2 VAL E 121      44.385  46.680  48.761  1.00 18.82           C  
-ATOM   5407  N   HIS E 122      40.987  48.161  46.211  1.00 12.83           N  
-ATOM   5408  CA  HIS E 122      40.226  48.845  45.167  1.00 11.44           C  
-ATOM   5409  C   HIS E 122      39.284  49.913  45.758  1.00 12.09           C  
-ATOM   5410  O   HIS E 122      39.169  51.020  45.251  1.00 11.07           O  
-ATOM   5411  CB  HIS E 122      39.413  47.819  44.368  1.00  7.74           C  
-ATOM   5412  CG  HIS E 122      38.765  48.374  43.135  1.00  6.58           C  
-ATOM   5413  ND1 HIS E 122      38.212  47.570  42.164  1.00  8.17           N  
-ATOM   5414  CD2 HIS E 122      38.607  49.645  42.701  1.00  6.80           C  
-ATOM   5415  CE1 HIS E 122      37.746  48.320  41.183  1.00  5.29           C  
-ATOM   5416  NE2 HIS E 122      37.973  49.584  41.485  1.00  8.42           N  
-ATOM   5417  N   ALA E 123      38.604  49.583  46.839  1.00 14.69           N  
-ATOM   5418  CA  ALA E 123      37.717  50.547  47.422  1.00 15.59           C  
-ATOM   5419  C   ALA E 123      38.518  51.655  48.121  1.00 18.87           C  
-ATOM   5420  O   ALA E 123      38.176  52.833  48.022  1.00 24.40           O  
-ATOM   5421  CB  ALA E 123      36.792  49.853  48.386  1.00 16.24           C  
-ATOM   5422  N   SER E 124      39.587  51.297  48.820  1.00 17.88           N  
-ATOM   5423  CA  SER E 124      40.377  52.318  49.511  1.00 19.12           C  
-ATOM   5424  C   SER E 124      40.998  53.274  48.497  1.00 18.44           C  
-ATOM   5425  O   SER E 124      41.087  54.474  48.741  1.00 16.70           O  
-ATOM   5426  CB  SER E 124      41.499  51.679  50.338  1.00 15.95           C  
-ATOM   5427  OG  SER E 124      41.001  50.768  51.290  1.00 10.32           O  
-ATOM   5428  N   LEU E 125      41.435  52.730  47.364  1.00 16.41           N  
-ATOM   5429  CA  LEU E 125      42.059  53.541  46.338  1.00 16.89           C  
-ATOM   5430  C   LEU E 125      41.053  54.480  45.725  1.00 21.33           C  
-ATOM   5431  O   LEU E 125      41.374  55.632  45.415  1.00 26.37           O  
-ATOM   5432  CB  LEU E 125      42.650  52.671  45.236  1.00 16.85           C  
-ATOM   5433  CG  LEU E 125      44.169  52.464  45.201  1.00 14.58           C  
-ATOM   5434  CD1 LEU E 125      44.563  51.876  43.828  1.00  3.36           C  
-ATOM   5435  CD2 LEU E 125      44.874  53.796  45.457  1.00  7.48           C  
-ATOM   5436  N   ASP E 126      39.833  53.988  45.546  1.00 19.37           N  
-ATOM   5437  CA  ASP E 126      38.783  54.796  44.954  1.00 15.01           C  
-ATOM   5438  C   ASP E 126      38.425  56.002  45.811  1.00 14.03           C  
-ATOM   5439  O   ASP E 126      38.207  57.100  45.290  1.00 18.15           O  
-ATOM   5440  CB  ASP E 126      37.562  53.938  44.705  1.00 17.01           C  
-ATOM   5441  CG  ASP E 126      36.505  54.659  43.930  1.00 23.48           C  
-ATOM   5442  OD1 ASP E 126      35.526  55.092  44.575  1.00 21.37           O  
-ATOM   5443  OD2 ASP E 126      36.658  54.793  42.686  1.00 18.99           O  
-ATOM   5444  N   LYS E 127      38.377  55.812  47.123  1.00 15.80           N  
-ATOM   5445  CA  LYS E 127      38.063  56.917  48.023  1.00 18.45           C  
-ATOM   5446  C   LYS E 127      39.234  57.908  48.021  1.00 18.55           C  
-ATOM   5447  O   LYS E 127      39.047  59.118  48.180  1.00 23.57           O  
-ATOM   5448  CB  LYS E 127      37.822  56.408  49.461  1.00 19.64           C  
-ATOM   5449  CG  LYS E 127      36.815  55.278  49.586  1.00 14.35           C  
-ATOM   5450  CD  LYS E 127      36.338  55.103  51.025  1.00 13.46           C  
-ATOM   5451  CE  LYS E 127      35.673  53.739  51.196  1.00 24.93           C  
-ATOM   5452  NZ  LYS E 127      34.886  53.302  49.989  1.00 30.62           N  
-ATOM   5453  N   PHE E 128      40.441  57.382  47.844  1.00 14.46           N  
-ATOM   5454  CA  PHE E 128      41.637  58.207  47.837  1.00 17.37           C  
-ATOM   5455  C   PHE E 128      41.599  59.170  46.658  1.00 21.11           C  
-ATOM   5456  O   PHE E 128      41.818  60.371  46.810  1.00 21.13           O  
-ATOM   5457  CB  PHE E 128      42.872  57.314  47.741  1.00 16.13           C  
-ATOM   5458  CG  PHE E 128      44.165  58.068  47.684  1.00 15.58           C  
-ATOM   5459  CD1 PHE E 128      44.593  58.825  48.775  1.00 13.83           C  
-ATOM   5460  CD2 PHE E 128      44.941  58.050  46.529  1.00 11.07           C  
-ATOM   5461  CE1 PHE E 128      45.769  59.559  48.722  1.00  8.00           C  
-ATOM   5462  CE2 PHE E 128      46.121  58.781  46.460  1.00 14.74           C  
-ATOM   5463  CZ  PHE E 128      46.537  59.540  47.564  1.00 15.55           C  
-ATOM   5464  N   LEU E 129      41.312  58.623  45.484  1.00 21.51           N  
-ATOM   5465  CA  LEU E 129      41.237  59.401  44.260  1.00 19.11           C  
-ATOM   5466  C   LEU E 129      40.089  60.419  44.249  1.00 22.35           C  
-ATOM   5467  O   LEU E 129      40.272  61.539  43.774  1.00 21.97           O  
-ATOM   5468  CB  LEU E 129      41.119  58.455  43.063  1.00 14.98           C  
-ATOM   5469  CG  LEU E 129      42.296  57.490  42.925  1.00 12.36           C  
-ATOM   5470  CD1 LEU E 129      42.053  56.514  41.795  1.00  8.18           C  
-ATOM   5471  CD2 LEU E 129      43.570  58.295  42.689  1.00  8.20           C  
-ATOM   5472  N   CYS E 130      38.907  60.058  44.755  1.00 23.98           N  
-ATOM   5473  CA  CYS E 130      37.818  61.036  44.757  1.00 23.15           C  
-ATOM   5474  C   CYS E 130      38.268  62.171  45.690  1.00 18.79           C  
-ATOM   5475  O   CYS E 130      38.029  63.336  45.407  1.00 23.71           O  
-ATOM   5476  CB  CYS E 130      36.472  60.404  45.213  1.00 23.81           C  
-ATOM   5477  SG  CYS E 130      34.989  60.664  44.075  1.00 17.75           S  
-ATOM   5478  N   ALA E 131      38.965  61.830  46.771  1.00 17.66           N  
-ATOM   5479  CA  ALA E 131      39.451  62.831  47.729  1.00 16.22           C  
-ATOM   5480  C   ALA E 131      40.449  63.751  47.063  1.00 14.46           C  
-ATOM   5481  O   ALA E 131      40.371  64.963  47.171  1.00 16.75           O  
-ATOM   5482  CB  ALA E 131      40.104  62.154  48.923  1.00 16.82           C  
-ATOM   5483  N   VAL E 132      41.401  63.154  46.375  1.00 15.79           N  
-ATOM   5484  CA  VAL E 132      42.421  63.908  45.665  1.00 15.67           C  
-ATOM   5485  C   VAL E 132      41.763  64.805  44.616  1.00 19.18           C  
-ATOM   5486  O   VAL E 132      41.928  66.023  44.639  1.00 18.96           O  
-ATOM   5487  CB  VAL E 132      43.427  62.939  44.997  1.00  8.97           C  
-ATOM   5488  CG1 VAL E 132      44.259  63.653  43.961  1.00  5.52           C  
-ATOM   5489  CG2 VAL E 132      44.327  62.351  46.064  1.00 10.43           C  
-ATOM   5490  N   GLY E 133      41.005  64.200  43.708  1.00 21.58           N  
-ATOM   5491  CA  GLY E 133      40.338  64.968  42.674  1.00 20.33           C  
-ATOM   5492  C   GLY E 133      39.486  66.065  43.269  1.00 20.34           C  
-ATOM   5493  O   GLY E 133      39.360  67.136  42.674  1.00 23.17           O  
-ATOM   5494  N   THR E 134      38.888  65.813  44.433  1.00 19.58           N  
-ATOM   5495  CA  THR E 134      38.072  66.845  45.060  1.00 21.95           C  
-ATOM   5496  C   THR E 134      38.967  68.051  45.306  1.00 23.09           C  
-ATOM   5497  O   THR E 134      38.735  69.098  44.747  1.00 26.81           O  
-ATOM   5498  CB  THR E 134      37.463  66.403  46.396  1.00 15.98           C  
-ATOM   5499  OG1 THR E 134      36.358  65.526  46.151  1.00  9.83           O  
-ATOM   5500  CG2 THR E 134      36.968  67.617  47.163  1.00 14.03           C  
-ATOM   5501  N   VAL E 135      40.002  67.876  46.119  1.00 20.25           N  
-ATOM   5502  CA  VAL E 135      40.954  68.934  46.436  1.00 14.02           C  
-ATOM   5503  C   VAL E 135      41.524  69.651  45.200  1.00 14.79           C  
-ATOM   5504  O   VAL E 135      41.665  70.883  45.197  1.00 14.47           O  
-ATOM   5505  CB  VAL E 135      42.131  68.353  47.287  1.00 14.83           C  
-ATOM   5506  CG1 VAL E 135      43.266  69.345  47.378  1.00 14.28           C  
-ATOM   5507  CG2 VAL E 135      41.651  68.000  48.688  1.00  7.36           C  
-ATOM   5508  N   LEU E 136      41.848  68.891  44.155  1.00 12.93           N  
-ATOM   5509  CA  LEU E 136      42.424  69.471  42.937  1.00 15.12           C  
-ATOM   5510  C   LEU E 136      41.502  70.354  42.106  1.00 13.54           C  
-ATOM   5511  O   LEU E 136      41.945  70.996  41.159  1.00  9.20           O  
-ATOM   5512  CB  LEU E 136      43.025  68.378  42.041  1.00 18.29           C  
-ATOM   5513  CG  LEU E 136      44.426  67.886  42.432  1.00 20.39           C  
-ATOM   5514  CD1 LEU E 136      45.429  69.014  42.340  1.00 24.54           C  
-ATOM   5515  CD2 LEU E 136      44.403  67.373  43.856  1.00 29.49           C  
-ATOM   5516  N   THR E 137      40.222  70.365  42.446  1.00 14.47           N  
-ATOM   5517  CA  THR E 137      39.257  71.222  41.768  1.00 21.59           C  
-ATOM   5518  C   THR E 137      38.564  71.939  42.911  1.00 27.73           C  
-ATOM   5519  O   THR E 137      38.049  73.040  42.769  1.00 24.87           O  
-ATOM   5520  CB  THR E 137      38.182  70.422  40.983  1.00 18.54           C  
-ATOM   5521  OG1 THR E 137      37.466  69.568  41.874  1.00  3.36           O  
-ATOM   5522  CG2 THR E 137      38.810  69.594  39.893  1.00 21.42           C  
-ATOM   5523  N   ALA E 138      38.605  71.276  44.062  1.00 40.48           N  
-ATOM   5524  CA  ALA E 138      37.975  71.717  45.310  1.00 47.45           C  
-ATOM   5525  C   ALA E 138      37.986  73.187  45.617  1.00 50.45           C  
-ATOM   5526  O   ALA E 138      37.217  73.610  46.474  1.00 53.94           O  
-ATOM   5527  CB  ALA E 138      38.560  70.947  46.530  1.00 41.30           C  
-ATOM   5528  N   LYS E 139      38.845  73.972  44.971  1.00 53.47           N  
-ATOM   5529  CA  LYS E 139      38.849  75.403  45.265  1.00 60.13           C  
-ATOM   5530  C   LYS E 139      37.373  75.795  45.444  1.00 64.71           C  
-ATOM   5531  O   LYS E 139      37.036  76.673  46.253  1.00 65.00           O  
-ATOM   5532  CB  LYS E 139      39.483  76.197  44.109  1.00 61.22           C  
-ATOM   5533  CG  LYS E 139      39.911  77.632  44.470  1.00 58.16           C  
-ATOM   5534  CD  LYS E 139      40.920  77.647  45.634  1.00 56.96           C  
-ATOM   5535  CE  LYS E 139      42.192  76.845  45.304  1.00 54.99           C  
-ATOM   5536  NZ  LYS E 139      43.108  76.653  46.471  1.00 47.24           N  
-ATOM   5537  N   TYR E 140      36.509  75.086  44.706  1.00 67.26           N  
-ATOM   5538  CA  TYR E 140      35.052  75.281  44.724  1.00 66.46           C  
-ATOM   5539  C   TYR E 140      34.377  74.633  45.967  1.00 63.17           C  
-ATOM   5540  O   TYR E 140      33.167  74.389  45.961  1.00 62.64           O  
-ATOM   5541  CB  TYR E 140      34.413  74.697  43.433  1.00 65.99           C  
-ATOM   5542  CG  TYR E 140      35.336  74.530  42.218  1.00 65.84           C  
-ATOM   5543  CD1 TYR E 140      35.457  73.290  41.580  1.00 64.23           C  
-ATOM   5544  CD2 TYR E 140      36.059  75.610  41.688  1.00 67.13           C  
-ATOM   5545  CE1 TYR E 140      36.276  73.124  40.444  1.00 66.77           C  
-ATOM   5546  CE2 TYR E 140      36.881  75.454  40.543  1.00 68.62           C  
-ATOM   5547  CZ  TYR E 140      36.982  74.206  39.931  1.00 68.38           C  
-ATOM   5548  OH  TYR E 140      37.783  74.034  38.815  1.00 67.90           O  
-ATOM   5549  N   ARG E 141      35.163  74.348  47.011  1.00 59.05           N  
-ATOM   5550  CA  ARG E 141      34.669  73.735  48.255  1.00 56.22           C  
-ATOM   5551  C   ARG E 141      35.452  74.199  49.471  1.00 53.59           C  
-ATOM   5552  O   ARG E 141      36.225  75.185  49.368  1.00 47.62           O  
-ATOM   5553  CB  ARG E 141      34.759  72.202  48.225  1.00 58.56           C  
-ATOM   5554  CG  ARG E 141      33.417  71.472  48.224  1.00 61.12           C  
-ATOM   5555  CD  ARG E 141      32.797  71.434  46.812  1.00 63.52           C  
-ATOM   5556  NE  ARG E 141      33.602  70.660  45.863  1.00 55.19           N  
-ATOM   5557  CZ  ARG E 141      34.719  71.091  45.278  1.00 53.18           C  
-ATOM   5558  NH1 ARG E 141      35.195  72.304  45.515  1.00 40.84           N  
-ATOM   5559  NH2 ARG E 141      35.381  70.291  44.459  1.00 59.03           N  
-ATOM   5560  OXT ARG E 141      35.267  73.532  50.517  1.00 53.45           O  
-TER    5561      ARG E 141                                                      
-ATOM   5562  N   VAL F   1      25.530  53.335  16.682  1.00 50.86           N  
-ATOM   5563  CA  VAL F   1      26.992  53.642  16.668  1.00 53.20           C  
-ATOM   5564  C   VAL F   1      27.692  52.989  15.465  1.00 53.68           C  
-ATOM   5565  O   VAL F   1      27.134  52.134  14.765  1.00 54.22           O  
-ATOM   5566  CB  VAL F   1      27.671  53.162  17.992  1.00 53.42           C  
-ATOM   5567  CG1 VAL F   1      29.125  53.617  18.043  1.00 53.48           C  
-ATOM   5568  CG2 VAL F   1      26.916  53.719  19.188  1.00 53.14           C  
-ATOM   5569  N   HIS F   2      28.922  53.411  15.226  1.00 51.47           N  
-ATOM   5570  CA  HIS F   2      29.708  52.888  14.127  1.00 50.16           C  
-ATOM   5571  C   HIS F   2      30.898  52.099  14.705  1.00 47.57           C  
-ATOM   5572  O   HIS F   2      31.644  52.609  15.543  1.00 48.78           O  
-ATOM   5573  CB  HIS F   2      30.169  54.078  13.271  1.00 51.31           C  
-ATOM   5574  CG  HIS F   2      31.252  53.745  12.292  1.00 60.74           C  
-ATOM   5575  ND1 HIS F   2      32.543  54.223  12.413  1.00 61.72           N  
-ATOM   5576  CD2 HIS F   2      31.240  52.979  11.174  1.00 63.80           C  
-ATOM   5577  CE1 HIS F   2      33.276  53.768  11.411  1.00 61.26           C  
-ATOM   5578  NE2 HIS F   2      32.508  53.009  10.646  1.00 64.46           N  
-ATOM   5579  N   TRP F   3      31.067  50.850  14.281  1.00 41.50           N  
-ATOM   5580  CA  TRP F   3      32.191  50.054  14.781  1.00 39.37           C  
-ATOM   5581  C   TRP F   3      33.260  49.832  13.716  1.00 37.97           C  
-ATOM   5582  O   TRP F   3      32.987  49.214  12.690  1.00 39.87           O  
-ATOM   5583  CB  TRP F   3      31.723  48.676  15.289  1.00 38.95           C  
-ATOM   5584  CG  TRP F   3      30.755  48.728  16.428  1.00 35.40           C  
-ATOM   5585  CD1 TRP F   3      29.399  48.748  16.342  1.00 36.50           C  
-ATOM   5586  CD2 TRP F   3      31.075  48.865  17.816  1.00 32.63           C  
-ATOM   5587  NE1 TRP F   3      28.848  48.899  17.589  1.00 38.00           N  
-ATOM   5588  CE2 TRP F   3      29.855  48.975  18.514  1.00 37.46           C  
-ATOM   5589  CE3 TRP F   3      32.274  48.914  18.535  1.00 30.02           C  
-ATOM   5590  CZ2 TRP F   3      29.797  49.131  19.905  1.00 34.13           C  
-ATOM   5591  CZ3 TRP F   3      32.218  49.072  19.914  1.00 30.07           C  
-ATOM   5592  CH2 TRP F   3      30.986  49.179  20.584  1.00 33.22           C  
-ATOM   5593  N   SER F   4      34.474  50.320  13.954  1.00 34.91           N  
-ATOM   5594  CA  SER F   4      35.537  50.107  12.984  1.00 35.04           C  
-ATOM   5595  C   SER F   4      35.769  48.591  12.926  1.00 38.14           C  
-ATOM   5596  O   SER F   4      35.487  47.878  13.885  1.00 41.70           O  
-ATOM   5597  CB  SER F   4      36.818  50.861  13.377  1.00 31.80           C  
-ATOM   5598  OG  SER F   4      37.405  50.352  14.558  1.00 25.08           O  
-ATOM   5599  N   ALA F   5      36.256  48.097  11.792  1.00 42.12           N  
-ATOM   5600  CA  ALA F   5      36.481  46.665  11.610  1.00 39.47           C  
-ATOM   5601  C   ALA F   5      37.421  46.045  12.643  1.00 38.16           C  
-ATOM   5602  O   ALA F   5      37.323  44.857  12.934  1.00 37.07           O  
-ATOM   5603  CB  ALA F   5      37.001  46.409  10.212  1.00 43.38           C  
-ATOM   5604  N   GLU F   6      38.338  46.841  13.183  1.00 36.76           N  
-ATOM   5605  CA  GLU F   6      39.264  46.341  14.191  1.00 37.27           C  
-ATOM   5606  C   GLU F   6      38.540  46.312  15.526  1.00 39.02           C  
-ATOM   5607  O   GLU F   6      38.655  45.343  16.280  1.00 40.50           O  
-ATOM   5608  CB  GLU F   6      40.501  47.227  14.289  1.00 39.79           C  
-ATOM   5609  CG  GLU F   6      40.355  48.554  13.562  1.00 51.82           C  
-ATOM   5610  CD  GLU F   6      40.153  48.380  12.064  1.00 53.52           C  
-ATOM   5611  OE1 GLU F   6      39.123  48.869  11.537  1.00 54.51           O  
-ATOM   5612  OE2 GLU F   6      41.026  47.752  11.421  1.00 55.43           O  
-ATOM   5613  N   GLU F   7      37.788  47.368  15.826  1.00 35.10           N  
-ATOM   5614  CA  GLU F   7      37.045  47.382  17.076  1.00 33.02           C  
-ATOM   5615  C   GLU F   7      36.355  46.037  17.248  1.00 34.57           C  
-ATOM   5616  O   GLU F   7      36.428  45.424  18.316  1.00 37.33           O  
-ATOM   5617  CB  GLU F   7      36.014  48.506  17.088  1.00 25.89           C  
-ATOM   5618  CG  GLU F   7      36.606  49.817  17.518  1.00 25.39           C  
-ATOM   5619  CD  GLU F   7      35.609  50.929  17.491  1.00 27.46           C  
-ATOM   5620  OE1 GLU F   7      35.952  52.037  17.969  1.00 29.80           O  
-ATOM   5621  OE2 GLU F   7      34.486  50.686  16.987  1.00 26.03           O  
-ATOM   5622  N   LYS F   8      35.704  45.564  16.191  1.00 33.41           N  
-ATOM   5623  CA  LYS F   8      35.021  44.281  16.266  1.00 35.51           C  
-ATOM   5624  C   LYS F   8      36.050  43.177  16.532  1.00 35.08           C  
-ATOM   5625  O   LYS F   8      35.894  42.367  17.441  1.00 36.45           O  
-ATOM   5626  CB  LYS F   8      34.250  44.020  14.970  1.00 33.26           C  
-ATOM   5627  CG  LYS F   8      33.212  45.087  14.683  1.00 37.03           C  
-ATOM   5628  CD  LYS F   8      32.280  44.709  13.536  1.00 41.81           C  
-ATOM   5629  CE  LYS F   8      31.245  45.818  13.282  1.00 45.40           C  
-ATOM   5630  NZ  LYS F   8      30.222  45.467  12.246  1.00 43.18           N  
-ATOM   5631  N   GLN F   9      37.109  43.160  15.736  1.00 37.71           N  
-ATOM   5632  CA  GLN F   9      38.186  42.180  15.877  1.00 37.27           C  
-ATOM   5633  C   GLN F   9      38.651  42.151  17.336  1.00 35.90           C  
-ATOM   5634  O   GLN F   9      38.588  41.115  17.999  1.00 31.20           O  
-ATOM   5635  CB  GLN F   9      39.342  42.585  14.959  1.00 41.33           C  
-ATOM   5636  CG  GLN F   9      40.612  41.778  15.087  1.00 48.71           C  
-ATOM   5637  CD  GLN F   9      41.844  42.622  14.774  1.00 60.10           C  
-ATOM   5638  OE1 GLN F   9      42.592  43.022  15.679  1.00 62.76           O  
-ATOM   5639  NE2 GLN F   9      42.052  42.914  13.489  1.00 64.32           N  
-ATOM   5640  N   LEU F  10      39.110  43.306  17.821  1.00 35.13           N  
-ATOM   5641  CA  LEU F  10      39.582  43.469  19.193  1.00 29.75           C  
-ATOM   5642  C   LEU F  10      38.632  42.843  20.208  1.00 31.04           C  
-ATOM   5643  O   LEU F  10      39.067  42.158  21.134  1.00 35.29           O  
-ATOM   5644  CB  LEU F  10      39.717  44.953  19.530  1.00 25.26           C  
-ATOM   5645  CG  LEU F  10      40.973  45.737  19.158  1.00 22.50           C  
-ATOM   5646  CD1 LEU F  10      42.142  45.170  19.912  1.00 23.07           C  
-ATOM   5647  CD2 LEU F  10      41.214  45.675  17.666  1.00 28.06           C  
-ATOM   5648  N   ILE F  11      37.339  43.094  20.026  1.00 26.38           N  
-ATOM   5649  CA  ILE F  11      36.300  42.612  20.929  1.00 25.51           C  
-ATOM   5650  C   ILE F  11      36.015  41.122  20.863  1.00 26.15           C  
-ATOM   5651  O   ILE F  11      36.065  40.436  21.881  1.00 32.70           O  
-ATOM   5652  CB  ILE F  11      34.968  43.402  20.701  1.00 23.38           C  
-ATOM   5653  CG1 ILE F  11      35.134  44.832  21.205  1.00 18.40           C  
-ATOM   5654  CG2 ILE F  11      33.802  42.722  21.395  1.00 20.76           C  
-ATOM   5655  CD1 ILE F  11      34.039  45.746  20.775  1.00 22.38           C  
-ATOM   5656  N   THR F  12      35.713  40.615  19.679  1.00 28.24           N  
-ATOM   5657  CA  THR F  12      35.399  39.197  19.537  1.00 32.74           C  
-ATOM   5658  C   THR F  12      36.552  38.247  19.880  1.00 31.52           C  
-ATOM   5659  O   THR F  12      36.329  37.134  20.363  1.00 31.87           O  
-ATOM   5660  CB  THR F  12      34.914  38.894  18.123  1.00 34.58           C  
-ATOM   5661  OG1 THR F  12      35.906  39.324  17.181  1.00 40.22           O  
-ATOM   5662  CG2 THR F  12      33.606  39.623  17.854  1.00 33.68           C  
-ATOM   5663  N   GLY F  13      37.781  38.675  19.627  1.00 28.34           N  
-ATOM   5664  CA  GLY F  13      38.909  37.829  19.957  1.00 23.32           C  
-ATOM   5665  C   GLY F  13      38.971  37.654  21.456  1.00 21.72           C  
-ATOM   5666  O   GLY F  13      38.893  36.533  21.951  1.00 25.37           O  
-ATOM   5667  N   LEU F  14      39.095  38.768  22.176  1.00 24.39           N  
-ATOM   5668  CA  LEU F  14      39.169  38.758  23.640  1.00 22.31           C  
-ATOM   5669  C   LEU F  14      37.979  38.000  24.210  1.00 20.47           C  
-ATOM   5670  O   LEU F  14      38.101  37.270  25.199  1.00 14.01           O  
-ATOM   5671  CB  LEU F  14      39.183  40.189  24.197  1.00 18.68           C  
-ATOM   5672  CG  LEU F  14      39.672  40.313  25.649  1.00 16.60           C  
-ATOM   5673  CD1 LEU F  14      41.150  40.051  25.693  1.00  5.17           C  
-ATOM   5674  CD2 LEU F  14      39.385  41.702  26.210  1.00 18.63           C  
-ATOM   5675  N   TRP F  15      36.829  38.162  23.569  1.00 19.24           N  
-ATOM   5676  CA  TRP F  15      35.632  37.479  24.025  1.00 23.45           C  
-ATOM   5677  C   TRP F  15      35.881  35.977  24.154  1.00 22.47           C  
-ATOM   5678  O   TRP F  15      35.571  35.371  25.178  1.00 21.39           O  
-ATOM   5679  CB  TRP F  15      34.476  37.724  23.058  1.00 25.20           C  
-ATOM   5680  CG  TRP F  15      33.227  37.084  23.531  1.00 28.66           C  
-ATOM   5681  CD1 TRP F  15      32.448  36.197  22.851  1.00 28.56           C  
-ATOM   5682  CD2 TRP F  15      32.609  37.272  24.808  1.00 30.16           C  
-ATOM   5683  NE1 TRP F  15      31.379  35.819  23.625  1.00 30.50           N  
-ATOM   5684  CE2 TRP F  15      31.452  36.466  24.832  1.00 31.80           C  
-ATOM   5685  CE3 TRP F  15      32.921  38.044  25.937  1.00 24.46           C  
-ATOM   5686  CZ2 TRP F  15      30.601  36.412  25.944  1.00 29.12           C  
-ATOM   5687  CZ3 TRP F  15      32.082  37.990  27.034  1.00 20.07           C  
-ATOM   5688  CH2 TRP F  15      30.933  37.182  27.031  1.00 25.78           C  
-ATOM   5689  N   GLY F  16      36.452  35.392  23.105  1.00 24.23           N  
-ATOM   5690  CA  GLY F  16      36.751  33.965  23.086  1.00 23.33           C  
-ATOM   5691  C   GLY F  16      37.599  33.457  24.245  1.00 22.01           C  
-ATOM   5692  O   GLY F  16      37.487  32.293  24.638  1.00 19.85           O  
-ATOM   5693  N   LYS F  17      38.452  34.319  24.790  1.00 20.10           N  
-ATOM   5694  CA  LYS F  17      39.295  33.948  25.918  1.00 22.74           C  
-ATOM   5695  C   LYS F  17      38.587  34.095  27.271  1.00 25.45           C  
-ATOM   5696  O   LYS F  17      38.820  33.312  28.188  1.00 29.44           O  
-ATOM   5697  CB  LYS F  17      40.542  34.819  25.968  1.00 24.95           C  
-ATOM   5698  CG  LYS F  17      41.702  34.351  25.138  1.00 32.02           C  
-ATOM   5699  CD  LYS F  17      41.645  34.909  23.735  1.00 37.75           C  
-ATOM   5700  CE  LYS F  17      42.995  34.746  23.079  1.00 33.89           C  
-ATOM   5701  NZ  LYS F  17      44.036  35.399  23.920  1.00 29.28           N  
-ATOM   5702  N   VAL F  18      37.721  35.097  27.390  1.00 25.13           N  
-ATOM   5703  CA  VAL F  18      37.014  35.382  28.641  1.00 21.00           C  
-ATOM   5704  C   VAL F  18      36.287  34.267  29.366  1.00 18.76           C  
-ATOM   5705  O   VAL F  18      35.407  33.610  28.821  1.00 13.91           O  
-ATOM   5706  CB  VAL F  18      35.980  36.494  28.472  1.00 17.62           C  
-ATOM   5707  CG1 VAL F  18      35.444  36.894  29.831  1.00 14.94           C  
-ATOM   5708  CG2 VAL F  18      36.593  37.662  27.758  1.00 15.46           C  
-ATOM   5709  N   ASN F  19      36.656  34.101  30.626  1.00 18.80           N  
-ATOM   5710  CA  ASN F  19      36.042  33.120  31.494  1.00 22.06           C  
-ATOM   5711  C   ASN F  19      34.913  33.896  32.168  1.00 22.96           C  
-ATOM   5712  O   ASN F  19      35.121  34.514  33.214  1.00 25.74           O  
-ATOM   5713  CB  ASN F  19      37.056  32.667  32.536  1.00 21.76           C  
-ATOM   5714  CG  ASN F  19      36.508  31.618  33.450  1.00 18.79           C  
-ATOM   5715  OD1 ASN F  19      35.326  31.622  33.750  1.00 25.05           O  
-ATOM   5716  ND2 ASN F  19      37.367  30.720  33.918  1.00 19.64           N  
-ATOM   5717  N   VAL F  20      33.726  33.879  31.572  1.00 22.08           N  
-ATOM   5718  CA  VAL F  20      32.611  34.637  32.128  1.00 24.83           C  
-ATOM   5719  C   VAL F  20      32.357  34.344  33.613  1.00 24.17           C  
-ATOM   5720  O   VAL F  20      31.902  35.205  34.357  1.00 22.95           O  
-ATOM   5721  CB  VAL F  20      31.291  34.406  31.315  1.00 24.54           C  
-ATOM   5722  CG1 VAL F  20      31.547  34.560  29.834  1.00 16.62           C  
-ATOM   5723  CG2 VAL F  20      30.715  33.050  31.614  1.00 26.42           C  
-ATOM   5724  N   ALA F  21      32.674  33.131  34.040  1.00 22.99           N  
-ATOM   5725  CA  ALA F  21      32.479  32.719  35.420  1.00 20.11           C  
-ATOM   5726  C   ALA F  21      33.300  33.515  36.423  1.00 20.11           C  
-ATOM   5727  O   ALA F  21      32.752  34.115  37.342  1.00 21.36           O  
-ATOM   5728  CB  ALA F  21      32.803  31.246  35.558  1.00 21.12           C  
-ATOM   5729  N   ASP F  22      34.615  33.494  36.265  1.00 22.31           N  
-ATOM   5730  CA  ASP F  22      35.507  34.224  37.160  1.00 29.04           C  
-ATOM   5731  C   ASP F  22      35.370  35.731  37.018  1.00 26.57           C  
-ATOM   5732  O   ASP F  22      35.233  36.446  38.007  1.00 26.81           O  
-ATOM   5733  CB  ASP F  22      36.956  33.837  36.892  1.00 38.01           C  
-ATOM   5734  CG  ASP F  22      37.271  32.427  37.347  1.00 48.29           C  
-ATOM   5735  OD1 ASP F  22      36.313  31.648  37.559  1.00 49.48           O  
-ATOM   5736  OD2 ASP F  22      38.474  32.098  37.481  1.00 56.71           O  
-ATOM   5737  N   CYS F  23      35.417  36.215  35.786  1.00 26.39           N  
-ATOM   5738  CA  CYS F  23      35.297  37.647  35.555  1.00 27.66           C  
-ATOM   5739  C   CYS F  23      33.956  38.197  36.074  1.00 23.89           C  
-ATOM   5740  O   CYS F  23      33.920  39.181  36.826  1.00 18.51           O  
-ATOM   5741  CB  CYS F  23      35.478  37.953  34.059  1.00 26.45           C  
-ATOM   5742  SG  CYS F  23      37.163  37.649  33.446  1.00 25.65           S  
-ATOM   5743  N   GLY F  24      32.863  37.548  35.686  1.00 18.98           N  
-ATOM   5744  CA  GLY F  24      31.552  37.986  36.118  1.00 15.96           C  
-ATOM   5745  C   GLY F  24      31.416  38.095  37.621  1.00 17.74           C  
-ATOM   5746  O   GLY F  24      30.803  39.036  38.130  1.00 19.31           O  
-ATOM   5747  N   ALA F  25      31.991  37.137  38.339  1.00 14.40           N  
-ATOM   5748  CA  ALA F  25      31.917  37.123  39.792  1.00  9.95           C  
-ATOM   5749  C   ALA F  25      32.774  38.228  40.365  1.00  5.51           C  
-ATOM   5750  O   ALA F  25      32.341  38.987  41.214  1.00 11.69           O  
-ATOM   5751  CB  ALA F  25      32.376  35.771  40.325  1.00 14.91           C  
-ATOM   5752  N   GLU F  26      34.002  38.296  39.893  1.00  3.36           N  
-ATOM   5753  CA  GLU F  26      34.948  39.302  40.310  1.00  5.69           C  
-ATOM   5754  C   GLU F  26      34.298  40.685  40.179  1.00 11.05           C  
-ATOM   5755  O   GLU F  26      34.383  41.528  41.077  1.00  8.66           O  
-ATOM   5756  CB  GLU F  26      36.157  39.228  39.390  1.00 12.01           C  
-ATOM   5757  CG  GLU F  26      37.297  40.098  39.811  1.00 27.04           C  
-ATOM   5758  CD  GLU F  26      38.045  39.488  40.956  1.00 33.90           C  
-ATOM   5759  OE1 GLU F  26      38.922  38.636  40.682  1.00 38.47           O  
-ATOM   5760  OE2 GLU F  26      37.743  39.841  42.121  1.00 34.61           O  
-ATOM   5761  N   ALA F  27      33.645  40.914  39.045  1.00 12.90           N  
-ATOM   5762  CA  ALA F  27      33.012  42.193  38.777  1.00 14.87           C  
-ATOM   5763  C   ALA F  27      31.855  42.572  39.712  1.00 16.43           C  
-ATOM   5764  O   ALA F  27      31.914  43.586  40.407  1.00 17.44           O  
-ATOM   5765  CB  ALA F  27      32.556  42.229  37.332  1.00 11.67           C  
-ATOM   5766  N   LEU F  28      30.798  41.774  39.733  1.00 15.77           N  
-ATOM   5767  CA  LEU F  28      29.667  42.102  40.587  1.00 13.00           C  
-ATOM   5768  C   LEU F  28      30.112  42.258  42.036  1.00 11.06           C  
-ATOM   5769  O   LEU F  28      29.569  43.068  42.782  1.00  7.93           O  
-ATOM   5770  CB  LEU F  28      28.606  41.027  40.504  1.00 13.94           C  
-ATOM   5771  CG  LEU F  28      27.247  41.555  40.941  1.00 17.18           C  
-ATOM   5772  CD1 LEU F  28      26.622  42.287  39.772  1.00 22.41           C  
-ATOM   5773  CD2 LEU F  28      26.355  40.424  41.375  1.00 17.30           C  
-ATOM   5774  N   ALA F  29      31.104  41.478  42.434  1.00  7.10           N  
-ATOM   5775  CA  ALA F  29      31.622  41.571  43.786  1.00  7.35           C  
-ATOM   5776  C   ALA F  29      32.165  42.987  43.995  1.00 10.10           C  
-ATOM   5777  O   ALA F  29      31.689  43.732  44.856  1.00 13.53           O  
-ATOM   5778  CB  ALA F  29      32.729  40.551  43.987  1.00  4.24           C  
-ATOM   5779  N   ARG F  30      33.157  43.358  43.187  1.00 12.99           N  
-ATOM   5780  CA  ARG F  30      33.773  44.675  43.283  1.00 12.71           C  
-ATOM   5781  C   ARG F  30      32.760  45.818  43.258  1.00 15.02           C  
-ATOM   5782  O   ARG F  30      32.933  46.817  43.969  1.00 15.03           O  
-ATOM   5783  CB  ARG F  30      34.807  44.859  42.170  1.00 11.45           C  
-ATOM   5784  CG  ARG F  30      36.087  44.057  42.392  1.00  9.07           C  
-ATOM   5785  CD  ARG F  30      37.040  44.163  41.219  1.00  5.38           C  
-ATOM   5786  NE  ARG F  30      38.253  43.387  41.443  1.00  7.31           N  
-ATOM   5787  CZ  ARG F  30      39.246  43.763  42.239  1.00  5.97           C  
-ATOM   5788  NH1 ARG F  30      39.174  44.904  42.883  1.00 14.36           N  
-ATOM   5789  NH2 ARG F  30      40.311  43.001  42.397  1.00  4.26           N  
-ATOM   5790  N   LEU F  31      31.704  45.688  42.455  1.00 14.44           N  
-ATOM   5791  CA  LEU F  31      30.706  46.748  42.411  1.00 11.57           C  
-ATOM   5792  C   LEU F  31      30.114  46.907  43.792  1.00 15.42           C  
-ATOM   5793  O   LEU F  31      30.082  48.027  44.330  1.00 15.13           O  
-ATOM   5794  CB  LEU F  31      29.572  46.443  41.433  1.00  9.34           C  
-ATOM   5795  CG  LEU F  31      28.457  47.509  41.395  1.00  3.36           C  
-ATOM   5796  CD1 LEU F  31      28.861  48.694  40.534  1.00  8.73           C  
-ATOM   5797  CD2 LEU F  31      27.206  46.894  40.838  1.00  3.36           C  
-ATOM   5798  N   LEU F  32      29.654  45.791  44.371  1.00 11.95           N  
-ATOM   5799  CA  LEU F  32      29.048  45.831  45.696  1.00  3.38           C  
-ATOM   5800  C   LEU F  32      30.027  46.353  46.732  1.00  5.17           C  
-ATOM   5801  O   LEU F  32      29.647  47.136  47.600  1.00 13.21           O  
-ATOM   5802  CB  LEU F  32      28.539  44.451  46.109  1.00  3.36           C  
-ATOM   5803  CG  LEU F  32      27.532  43.755  45.177  1.00  5.21           C  
-ATOM   5804  CD1 LEU F  32      27.256  42.381  45.687  1.00  4.09           C  
-ATOM   5805  CD2 LEU F  32      26.256  44.513  45.077  1.00  3.36           C  
-ATOM   5806  N   ILE F  33      31.291  45.962  46.641  1.00  3.36           N  
-ATOM   5807  CA  ILE F  33      32.268  46.422  47.621  1.00  7.20           C  
-ATOM   5808  C   ILE F  33      32.698  47.889  47.555  1.00  9.50           C  
-ATOM   5809  O   ILE F  33      32.796  48.563  48.582  1.00 11.49           O  
-ATOM   5810  CB  ILE F  33      33.494  45.523  47.577  1.00  9.36           C  
-ATOM   5811  CG1 ILE F  33      33.045  44.109  47.949  1.00 13.81           C  
-ATOM   5812  CG2 ILE F  33      34.591  46.046  48.523  1.00  3.36           C  
-ATOM   5813  CD1 ILE F  33      33.995  42.998  47.541  1.00 20.08           C  
-ATOM   5814  N   VAL F  34      32.948  48.386  46.353  1.00 13.48           N  
-ATOM   5815  CA  VAL F  34      33.376  49.768  46.177  1.00 11.96           C  
-ATOM   5816  C   VAL F  34      32.249  50.795  46.315  1.00 11.19           C  
-ATOM   5817  O   VAL F  34      32.435  51.837  46.937  1.00  8.37           O  
-ATOM   5818  CB  VAL F  34      34.052  49.931  44.820  1.00  6.55           C  
-ATOM   5819  CG1 VAL F  34      34.445  51.382  44.597  1.00 10.58           C  
-ATOM   5820  CG2 VAL F  34      35.248  49.029  44.768  1.00  4.83           C  
-ATOM   5821  N   TYR F  35      31.091  50.490  45.734  1.00  9.85           N  
-ATOM   5822  CA  TYR F  35      29.939  51.379  45.779  1.00  5.31           C  
-ATOM   5823  C   TYR F  35      28.818  50.696  46.553  1.00  6.59           C  
-ATOM   5824  O   TYR F  35      27.812  50.249  45.990  1.00  3.36           O  
-ATOM   5825  CB  TYR F  35      29.497  51.690  44.365  1.00 10.52           C  
-ATOM   5826  CG  TYR F  35      30.638  52.104  43.469  1.00 13.52           C  
-ATOM   5827  CD1 TYR F  35      31.436  53.188  43.795  1.00 13.95           C  
-ATOM   5828  CD2 TYR F  35      30.918  51.411  42.294  1.00 16.35           C  
-ATOM   5829  CE1 TYR F  35      32.484  53.580  42.980  1.00 12.68           C  
-ATOM   5830  CE2 TYR F  35      31.960  51.796  41.471  1.00 17.22           C  
-ATOM   5831  CZ  TYR F  35      32.738  52.884  41.822  1.00 16.46           C  
-ATOM   5832  OH  TYR F  35      33.767  53.283  41.006  1.00 16.82           O  
-ATOM   5833  N   PRO F  36      28.978  50.634  47.875  1.00  4.22           N  
-ATOM   5834  CA  PRO F  36      28.081  50.033  48.850  1.00  3.36           C  
-ATOM   5835  C   PRO F  36      26.592  50.178  48.625  1.00  3.36           C  
-ATOM   5836  O   PRO F  36      25.857  49.213  48.785  1.00  3.36           O  
-ATOM   5837  CB  PRO F  36      28.522  50.680  50.142  1.00  6.62           C  
-ATOM   5838  CG  PRO F  36      29.977  50.897  49.919  1.00  5.52           C  
-ATOM   5839  CD  PRO F  36      30.010  51.436  48.550  1.00  3.36           C  
-ATOM   5840  N   TRP F  37      26.133  51.373  48.269  1.00  5.55           N  
-ATOM   5841  CA  TRP F  37      24.701  51.603  48.069  1.00  3.97           C  
-ATOM   5842  C   TRP F  37      24.056  50.656  47.076  1.00  4.47           C  
-ATOM   5843  O   TRP F  37      22.869  50.406  47.166  1.00  3.53           O  
-ATOM   5844  CB  TRP F  37      24.429  53.061  47.664  1.00  8.75           C  
-ATOM   5845  CG  TRP F  37      24.987  53.479  46.338  1.00  7.92           C  
-ATOM   5846  CD1 TRP F  37      24.392  53.357  45.105  1.00  8.10           C  
-ATOM   5847  CD2 TRP F  37      26.261  54.068  46.108  1.00  5.53           C  
-ATOM   5848  NE1 TRP F  37      25.222  53.838  44.128  1.00  4.48           N  
-ATOM   5849  CE2 TRP F  37      26.379  54.281  44.714  1.00  4.73           C  
-ATOM   5850  CE3 TRP F  37      27.320  54.440  46.947  1.00  7.81           C  
-ATOM   5851  CZ2 TRP F  37      27.512  54.850  44.142  1.00  3.36           C  
-ATOM   5852  CZ3 TRP F  37      28.449  55.008  46.380  1.00  3.36           C  
-ATOM   5853  CH2 TRP F  37      28.534  55.208  44.990  1.00 11.17           C  
-ATOM   5854  N   THR F  38      24.834  50.121  46.134  1.00  9.97           N  
-ATOM   5855  CA  THR F  38      24.298  49.168  45.150  1.00  9.59           C  
-ATOM   5856  C   THR F  38      23.759  47.889  45.792  1.00  4.80           C  
-ATOM   5857  O   THR F  38      22.941  47.187  45.206  1.00  3.36           O  
-ATOM   5858  CB  THR F  38      25.355  48.747  44.141  1.00  9.64           C  
-ATOM   5859  OG1 THR F  38      26.486  48.215  44.840  1.00  3.79           O  
-ATOM   5860  CG2 THR F  38      25.755  49.922  43.283  1.00  3.55           C  
-ATOM   5861  N   GLN F  39      24.236  47.589  46.995  1.00  9.29           N  
-ATOM   5862  CA  GLN F  39      23.795  46.414  47.720  1.00  6.50           C  
-ATOM   5863  C   GLN F  39      22.282  46.408  47.894  1.00  7.30           C  
-ATOM   5864  O   GLN F  39      21.659  45.355  47.932  1.00  9.79           O  
-ATOM   5865  CB  GLN F  39      24.459  46.378  49.074  1.00  7.41           C  
-ATOM   5866  CG  GLN F  39      25.892  45.981  49.030  1.00  4.30           C  
-ATOM   5867  CD  GLN F  39      26.516  46.011  50.396  1.00  8.79           C  
-ATOM   5868  OE1 GLN F  39      25.847  45.763  51.404  1.00 11.79           O  
-ATOM   5869  NE2 GLN F  39      27.809  46.302  50.446  1.00  5.05           N  
-ATOM   5870  N   ARG F  40      21.694  47.589  47.981  1.00  6.94           N  
-ATOM   5871  CA  ARG F  40      20.260  47.720  48.148  1.00 15.16           C  
-ATOM   5872  C   ARG F  40      19.432  46.931  47.141  1.00 17.09           C  
-ATOM   5873  O   ARG F  40      18.383  46.404  47.485  1.00 24.30           O  
-ATOM   5874  CB  ARG F  40      19.865  49.191  48.068  1.00 18.44           C  
-ATOM   5875  CG  ARG F  40      18.659  49.534  48.900  1.00 21.42           C  
-ATOM   5876  CD  ARG F  40      18.365  50.985  48.771  1.00 18.77           C  
-ATOM   5877  NE  ARG F  40      17.458  51.243  47.665  1.00 28.49           N  
-ATOM   5878  CZ  ARG F  40      16.142  51.360  47.806  1.00 32.76           C  
-ATOM   5879  NH1 ARG F  40      15.597  51.235  49.014  1.00 34.23           N  
-ATOM   5880  NH2 ARG F  40      15.376  51.626  46.748  1.00 31.54           N  
-ATOM   5881  N   PHE F  41      19.884  46.853  45.896  1.00 22.91           N  
-ATOM   5882  CA  PHE F  41      19.134  46.123  44.873  1.00 23.23           C  
-ATOM   5883  C   PHE F  41      19.309  44.614  44.949  1.00 23.15           C  
-ATOM   5884  O   PHE F  41      18.676  43.883  44.193  1.00 23.06           O  
-ATOM   5885  CB  PHE F  41      19.544  46.572  43.471  1.00 25.51           C  
-ATOM   5886  CG  PHE F  41      19.293  48.022  43.193  1.00 24.21           C  
-ATOM   5887  CD1 PHE F  41      20.245  48.981  43.518  1.00 22.74           C  
-ATOM   5888  CD2 PHE F  41      18.107  48.424  42.578  1.00 23.46           C  
-ATOM   5889  CE1 PHE F  41      20.025  50.320  43.232  1.00 23.96           C  
-ATOM   5890  CE2 PHE F  41      17.874  49.749  42.286  1.00 24.06           C  
-ATOM   5891  CZ  PHE F  41      18.836  50.705  42.613  1.00 30.68           C  
-ATOM   5892  N   PHE F  42      20.170  44.155  45.848  1.00 22.87           N  
-ATOM   5893  CA  PHE F  42      20.428  42.733  45.992  1.00 29.90           C  
-ATOM   5894  C   PHE F  42      20.177  42.234  47.409  1.00 33.38           C  
-ATOM   5895  O   PHE F  42      20.907  41.388  47.930  1.00 38.82           O  
-ATOM   5896  CB  PHE F  42      21.870  42.427  45.577  1.00 28.19           C  
-ATOM   5897  CG  PHE F  42      22.161  42.752  44.145  1.00 26.80           C  
-ATOM   5898  CD1 PHE F  42      23.104  43.718  43.814  1.00 25.87           C  
-ATOM   5899  CD2 PHE F  42      21.462  42.118  43.123  1.00 28.85           C  
-ATOM   5900  CE1 PHE F  42      23.346  44.052  42.483  1.00 23.81           C  
-ATOM   5901  CE2 PHE F  42      21.696  42.445  41.789  1.00 28.48           C  
-ATOM   5902  CZ  PHE F  42      22.638  43.413  41.470  1.00 25.43           C  
-ATOM   5903  N   SER F  43      19.138  42.761  48.033  1.00 33.54           N  
-ATOM   5904  CA  SER F  43      18.798  42.366  49.385  1.00 32.92           C  
-ATOM   5905  C   SER F  43      18.479  40.869  49.426  1.00 29.79           C  
-ATOM   5906  O   SER F  43      18.648  40.212  50.454  1.00 31.17           O  
-ATOM   5907  CB  SER F  43      17.597  43.186  49.854  1.00 34.80           C  
-ATOM   5908  OG  SER F  43      16.574  43.162  48.873  1.00 41.38           O  
-ATOM   5909  N   SER F  44      18.036  40.336  48.295  1.00 24.63           N  
-ATOM   5910  CA  SER F  44      17.678  38.931  48.202  1.00 23.61           C  
-ATOM   5911  C   SER F  44      18.866  37.984  48.129  1.00 21.16           C  
-ATOM   5912  O   SER F  44      18.686  36.800  47.869  1.00 20.95           O  
-ATOM   5913  CB  SER F  44      16.827  38.701  46.968  1.00 27.85           C  
-ATOM   5914  OG  SER F  44      17.633  38.772  45.804  1.00 35.62           O  
-ATOM   5915  N   PHE F  45      20.077  38.482  48.342  1.00 20.13           N  
-ATOM   5916  CA  PHE F  45      21.236  37.610  48.262  1.00 16.27           C  
-ATOM   5917  C   PHE F  45      21.788  37.245  49.623  1.00 19.54           C  
-ATOM   5918  O   PHE F  45      22.876  36.691  49.741  1.00 27.99           O  
-ATOM   5919  CB  PHE F  45      22.338  38.240  47.400  1.00  9.97           C  
-ATOM   5920  CG  PHE F  45      21.987  38.347  45.942  1.00  8.41           C  
-ATOM   5921  CD1 PHE F  45      22.981  38.578  44.997  1.00 10.64           C  
-ATOM   5922  CD2 PHE F  45      20.662  38.244  45.511  1.00  8.52           C  
-ATOM   5923  CE1 PHE F  45      22.669  38.708  43.627  1.00 13.81           C  
-ATOM   5924  CE2 PHE F  45      20.331  38.372  44.156  1.00 16.86           C  
-ATOM   5925  CZ  PHE F  45      21.345  38.606  43.204  1.00 17.30           C  
-ATOM   5926  N   GLY F  46      21.053  37.558  50.671  1.00 16.32           N  
-ATOM   5927  CA  GLY F  46      21.546  37.185  51.974  1.00 22.04           C  
-ATOM   5928  C   GLY F  46      22.731  37.988  52.462  1.00 22.76           C  
-ATOM   5929  O   GLY F  46      22.747  39.203  52.359  1.00 18.92           O  
-ATOM   5930  N   ASN F  47      23.739  37.308  52.989  1.00 29.87           N  
-ATOM   5931  CA  ASN F  47      24.880  38.017  53.530  1.00 34.92           C  
-ATOM   5932  C   ASN F  47      25.745  38.735  52.530  1.00 34.40           C  
-ATOM   5933  O   ASN F  47      26.155  38.187  51.501  1.00 38.76           O  
-ATOM   5934  CB  ASN F  47      25.786  37.097  54.348  1.00 44.48           C  
-ATOM   5935  CG  ASN F  47      26.826  37.878  55.140  1.00 49.12           C  
-ATOM   5936  OD1 ASN F  47      26.530  38.410  56.211  1.00 49.96           O  
-ATOM   5937  ND2 ASN F  47      28.040  37.972  54.605  1.00 49.68           N  
-ATOM   5938  N   LEU F  48      26.031  39.975  52.886  1.00 29.47           N  
-ATOM   5939  CA  LEU F  48      26.872  40.873  52.117  1.00 27.76           C  
-ATOM   5940  C   LEU F  48      27.487  41.703  53.230  1.00 30.56           C  
-ATOM   5941  O   LEU F  48      27.824  42.871  53.064  1.00 25.78           O  
-ATOM   5942  CB  LEU F  48      26.012  41.743  51.206  1.00 21.75           C  
-ATOM   5943  CG  LEU F  48      25.176  40.962  50.193  1.00 16.62           C  
-ATOM   5944  CD1 LEU F  48      24.240  41.906  49.452  1.00  6.04           C  
-ATOM   5945  CD2 LEU F  48      26.114  40.224  49.233  1.00 17.86           C  
-ATOM   5946  N   SER F  49      27.612  41.060  54.385  1.00 37.87           N  
-ATOM   5947  CA  SER F  49      28.143  41.696  55.583  1.00 40.97           C  
-ATOM   5948  C   SER F  49      29.578  42.188  55.480  1.00 37.76           C  
-ATOM   5949  O   SER F  49      29.936  43.160  56.128  1.00 37.96           O  
-ATOM   5950  CB  SER F  49      28.027  40.747  56.782  1.00 45.23           C  
-ATOM   5951  OG  SER F  49      28.436  41.391  57.982  1.00 48.61           O  
-ATOM   5952  N   SER F  50      30.405  41.523  54.685  1.00 34.84           N  
-ATOM   5953  CA  SER F  50      31.790  41.950  54.559  1.00 33.79           C  
-ATOM   5954  C   SER F  50      32.374  41.713  53.165  1.00 30.68           C  
-ATOM   5955  O   SER F  50      31.864  40.909  52.387  1.00 28.05           O  
-ATOM   5956  CB  SER F  50      32.644  41.238  55.606  1.00 34.03           C  
-ATOM   5957  OG  SER F  50      32.806  39.874  55.281  1.00 37.47           O  
-ATOM   5958  N   PRO F  51      33.467  42.414  52.836  1.00 27.63           N  
-ATOM   5959  CA  PRO F  51      34.069  42.234  51.520  1.00 26.48           C  
-ATOM   5960  C   PRO F  51      34.220  40.761  51.274  1.00 27.75           C  
-ATOM   5961  O   PRO F  51      33.554  40.174  50.438  1.00 25.39           O  
-ATOM   5962  CB  PRO F  51      35.421  42.908  51.663  1.00 20.94           C  
-ATOM   5963  CG  PRO F  51      35.162  43.971  52.657  1.00 25.96           C  
-ATOM   5964  CD  PRO F  51      34.320  43.262  53.682  1.00 27.76           C  
-ATOM   5965  N   THR F  52      35.099  40.165  52.055  1.00 37.21           N  
-ATOM   5966  CA  THR F  52      35.394  38.746  51.937  1.00 42.04           C  
-ATOM   5967  C   THR F  52      34.136  37.865  52.038  1.00 41.70           C  
-ATOM   5968  O   THR F  52      34.097  36.749  51.498  1.00 41.82           O  
-ATOM   5969  CB  THR F  52      36.463  38.344  52.994  1.00 40.25           C  
-ATOM   5970  OG1 THR F  52      37.016  37.073  52.647  1.00 31.72           O  
-ATOM   5971  CG2 THR F  52      35.858  38.312  54.406  1.00 40.95           C  
-ATOM   5972  N   ALA F  53      33.104  38.375  52.709  1.00 36.36           N  
-ATOM   5973  CA  ALA F  53      31.865  37.624  52.841  1.00 30.62           C  
-ATOM   5974  C   ALA F  53      31.110  37.695  51.520  1.00 31.47           C  
-ATOM   5975  O   ALA F  53      30.190  36.929  51.279  1.00 31.87           O  
-ATOM   5976  CB  ALA F  53      31.025  38.207  53.956  1.00 31.07           C  
-ATOM   5977  N   ILE F  54      31.510  38.630  50.663  1.00 36.96           N  
-ATOM   5978  CA  ILE F  54      30.869  38.829  49.355  1.00 33.80           C  
-ATOM   5979  C   ILE F  54      31.524  38.031  48.226  1.00 32.49           C  
-ATOM   5980  O   ILE F  54      30.833  37.496  47.366  1.00 29.75           O  
-ATOM   5981  CB  ILE F  54      30.875  40.336  48.954  1.00 30.67           C  
-ATOM   5982  CG1 ILE F  54      29.976  41.125  49.896  1.00 22.03           C  
-ATOM   5983  CG2 ILE F  54      30.423  40.510  47.511  1.00 28.26           C  
-ATOM   5984  CD1 ILE F  54      29.886  42.580  49.559  1.00 18.93           C  
-ATOM   5985  N   LEU F  55      32.853  37.972  48.219  1.00 30.53           N  
-ATOM   5986  CA  LEU F  55      33.552  37.235  47.181  1.00 30.50           C  
-ATOM   5987  C   LEU F  55      32.997  35.828  47.148  1.00 30.26           C  
-ATOM   5988  O   LEU F  55      32.754  35.277  46.076  1.00 31.73           O  
-ATOM   5989  CB  LEU F  55      35.067  37.170  47.456  1.00 32.87           C  
-ATOM   5990  CG  LEU F  55      35.950  38.423  47.397  1.00 27.37           C  
-ATOM   5991  CD1 LEU F  55      35.508  39.288  46.237  1.00 19.75           C  
-ATOM   5992  CD2 LEU F  55      35.863  39.186  48.698  1.00 34.03           C  
-ATOM   5993  N   GLY F  56      32.783  35.266  48.334  1.00 27.44           N  
-ATOM   5994  CA  GLY F  56      32.283  33.909  48.448  1.00 25.03           C  
-ATOM   5995  C   GLY F  56      30.832  33.666  48.093  1.00 20.58           C  
-ATOM   5996  O   GLY F  56      30.484  32.627  47.545  1.00 22.29           O  
-ATOM   5997  N   ASN F  57      29.970  34.614  48.407  1.00 20.33           N  
-ATOM   5998  CA  ASN F  57      28.557  34.443  48.111  1.00 20.43           C  
-ATOM   5999  C   ASN F  57      28.355  33.945  46.673  1.00 20.73           C  
-ATOM   6000  O   ASN F  57      28.670  34.639  45.711  1.00 25.47           O  
-ATOM   6001  CB  ASN F  57      27.819  35.763  48.351  1.00 12.52           C  
-ATOM   6002  CG  ASN F  57      26.328  35.634  48.179  1.00  6.73           C  
-ATOM   6003  OD1 ASN F  57      25.577  36.505  48.588  1.00 11.88           O  
-ATOM   6004  ND2 ASN F  57      25.890  34.551  47.564  1.00 13.22           N  
-ATOM   6005  N   PRO F  58      27.824  32.725  46.526  1.00 17.40           N  
-ATOM   6006  CA  PRO F  58      27.528  32.010  45.286  1.00 17.70           C  
-ATOM   6007  C   PRO F  58      26.396  32.592  44.473  1.00 19.10           C  
-ATOM   6008  O   PRO F  58      26.220  32.247  43.314  1.00 25.42           O  
-ATOM   6009  CB  PRO F  58      27.181  30.620  45.776  1.00 23.19           C  
-ATOM   6010  CG  PRO F  58      26.447  30.917  47.034  1.00 22.47           C  
-ATOM   6011  CD  PRO F  58      27.377  31.929  47.682  1.00 23.26           C  
-ATOM   6012  N   MET F  59      25.595  33.438  45.098  1.00 25.35           N  
-ATOM   6013  CA  MET F  59      24.479  34.094  44.421  1.00 24.14           C  
-ATOM   6014  C   MET F  59      25.068  35.266  43.651  1.00 24.70           C  
-ATOM   6015  O   MET F  59      24.631  35.599  42.542  1.00 22.08           O  
-ATOM   6016  CB  MET F  59      23.472  34.596  45.453  1.00 26.28           C  
-ATOM   6017  CG  MET F  59      22.440  33.573  45.838  1.00 31.39           C  
-ATOM   6018  SD  MET F  59      21.058  33.644  44.716  1.00 38.38           S  
-ATOM   6019  CE  MET F  59      21.890  33.199  43.086  1.00 43.49           C  
-ATOM   6020  N   VAL F  60      26.068  35.883  44.273  1.00 21.53           N  
-ATOM   6021  CA  VAL F  60      26.794  36.993  43.697  1.00 22.93           C  
-ATOM   6022  C   VAL F  60      27.527  36.416  42.495  1.00 22.88           C  
-ATOM   6023  O   VAL F  60      27.389  36.897  41.374  1.00 24.43           O  
-ATOM   6024  CB  VAL F  60      27.819  37.549  44.715  1.00 22.73           C  
-ATOM   6025  CG1 VAL F  60      28.729  38.577  44.056  1.00 30.83           C  
-ATOM   6026  CG2 VAL F  60      27.092  38.178  45.876  1.00 20.55           C  
-ATOM   6027  N   ARG F  61      28.289  35.357  42.749  1.00 24.00           N  
-ATOM   6028  CA  ARG F  61      29.065  34.674  41.720  1.00 27.81           C  
-ATOM   6029  C   ARG F  61      28.186  34.193  40.564  1.00 22.89           C  
-ATOM   6030  O   ARG F  61      28.530  34.337  39.396  1.00 24.75           O  
-ATOM   6031  CB  ARG F  61      29.832  33.500  42.346  1.00 29.35           C  
-ATOM   6032  CG  ARG F  61      30.827  33.929  43.447  1.00 36.95           C  
-ATOM   6033  CD  ARG F  61      31.626  32.751  43.988  1.00 39.25           C  
-ATOM   6034  NE  ARG F  61      32.286  32.043  42.901  1.00 51.38           N  
-ATOM   6035  CZ  ARG F  61      33.297  32.534  42.190  1.00 58.90           C  
-ATOM   6036  NH1 ARG F  61      33.778  33.744  42.464  1.00 59.61           N  
-ATOM   6037  NH2 ARG F  61      33.805  31.828  41.180  1.00 62.51           N  
-ATOM   6038  N   ALA F  62      27.039  33.633  40.895  1.00 19.27           N  
-ATOM   6039  CA  ALA F  62      26.115  33.162  39.872  1.00 21.33           C  
-ATOM   6040  C   ALA F  62      25.635  34.312  38.985  1.00 20.47           C  
-ATOM   6041  O   ALA F  62      25.792  34.269  37.775  1.00 23.41           O  
-ATOM   6042  CB  ALA F  62      24.919  32.481  40.536  1.00 21.30           C  
-ATOM   6043  N   HIS F  63      25.042  35.332  39.605  1.00 21.32           N  
-ATOM   6044  CA  HIS F  63      24.520  36.500  38.905  1.00 13.81           C  
-ATOM   6045  C   HIS F  63      25.644  37.192  38.141  1.00 17.27           C  
-ATOM   6046  O   HIS F  63      25.435  37.711  37.035  1.00 15.51           O  
-ATOM   6047  CB  HIS F  63      23.904  37.462  39.920  1.00 17.33           C  
-ATOM   6048  CG  HIS F  63      23.246  38.656  39.305  1.00 15.15           C  
-ATOM   6049  ND1 HIS F  63      22.048  38.579  38.629  1.00 13.93           N  
-ATOM   6050  CD2 HIS F  63      23.641  39.948  39.228  1.00 15.89           C  
-ATOM   6051  CE1 HIS F  63      21.736  39.771  38.155  1.00 15.77           C  
-ATOM   6052  NE2 HIS F  63      22.686  40.621  38.503  1.00 18.74           N  
-ATOM   6053  N   GLY F  64      26.833  37.199  38.741  1.00 16.05           N  
-ATOM   6054  CA  GLY F  64      27.983  37.808  38.100  1.00 16.00           C  
-ATOM   6055  C   GLY F  64      28.180  37.251  36.697  1.00 18.70           C  
-ATOM   6056  O   GLY F  64      28.294  38.005  35.736  1.00 12.87           O  
-ATOM   6057  N   LYS F  65      28.203  35.926  36.572  1.00 20.87           N  
-ATOM   6058  CA  LYS F  65      28.385  35.307  35.275  1.00 24.29           C  
-ATOM   6059  C   LYS F  65      27.163  35.527  34.390  1.00 22.33           C  
-ATOM   6060  O   LYS F  65      27.281  35.622  33.168  1.00 21.59           O  
-ATOM   6061  CB  LYS F  65      28.658  33.807  35.412  1.00 29.56           C  
-ATOM   6062  CG  LYS F  65      27.429  32.986  35.731  1.00 37.95           C  
-ATOM   6063  CD  LYS F  65      27.544  31.561  35.198  1.00 46.34           C  
-ATOM   6064  CE  LYS F  65      27.450  31.518  33.678  1.00 46.90           C  
-ATOM   6065  NZ  LYS F  65      27.628  30.128  33.156  1.00 50.58           N  
-ATOM   6066  N   LYS F  66      25.987  35.601  34.992  1.00 21.68           N  
-ATOM   6067  CA  LYS F  66      24.781  35.819  34.198  1.00 27.19           C  
-ATOM   6068  C   LYS F  66      24.875  37.207  33.531  1.00 25.70           C  
-ATOM   6069  O   LYS F  66      24.607  37.368  32.341  1.00 19.05           O  
-ATOM   6070  CB  LYS F  66      23.535  35.731  35.081  1.00 29.30           C  
-ATOM   6071  CG  LYS F  66      22.301  35.233  34.341  1.00 36.08           C  
-ATOM   6072  CD  LYS F  66      21.008  35.546  35.099  1.00 44.71           C  
-ATOM   6073  CE  LYS F  66      20.886  34.797  36.431  1.00 43.70           C  
-ATOM   6074  NZ  LYS F  66      20.483  33.374  36.245  1.00 43.61           N  
-ATOM   6075  N   VAL F  67      25.268  38.209  34.308  1.00 24.20           N  
-ATOM   6076  CA  VAL F  67      25.416  39.560  33.782  1.00 17.07           C  
-ATOM   6077  C   VAL F  67      26.434  39.602  32.657  1.00 15.33           C  
-ATOM   6078  O   VAL F  67      26.217  40.248  31.647  1.00 16.23           O  
-ATOM   6079  CB  VAL F  67      25.881  40.562  34.888  1.00 15.76           C  
-ATOM   6080  CG1 VAL F  67      26.608  41.754  34.258  1.00  7.12           C  
-ATOM   6081  CG2 VAL F  67      24.680  41.062  35.681  1.00 20.82           C  
-ATOM   6082  N   LEU F  68      27.553  38.912  32.834  1.00 18.25           N  
-ATOM   6083  CA  LEU F  68      28.621  38.926  31.836  1.00 16.44           C  
-ATOM   6084  C   LEU F  68      28.292  38.204  30.531  1.00 17.10           C  
-ATOM   6085  O   LEU F  68      28.699  38.637  29.458  1.00 17.78           O  
-ATOM   6086  CB  LEU F  68      29.899  38.357  32.449  1.00 15.35           C  
-ATOM   6087  CG  LEU F  68      31.185  38.501  31.642  1.00 17.72           C  
-ATOM   6088  CD1 LEU F  68      31.288  39.891  31.075  1.00 13.84           C  
-ATOM   6089  CD2 LEU F  68      32.375  38.213  32.547  1.00 21.01           C  
-ATOM   6090  N   THR F  69      27.553  37.108  30.612  1.00 18.66           N  
-ATOM   6091  CA  THR F  69      27.192  36.383  29.410  1.00 20.13           C  
-ATOM   6092  C   THR F  69      26.190  37.184  28.574  1.00 23.47           C  
-ATOM   6093  O   THR F  69      25.986  36.892  27.391  1.00 27.73           O  
-ATOM   6094  CB  THR F  69      26.610  34.989  29.742  1.00 19.05           C  
-ATOM   6095  OG1 THR F  69      25.696  35.098  30.829  1.00 23.66           O  
-ATOM   6096  CG2 THR F  69      27.712  34.028  30.137  1.00 23.85           C  
-ATOM   6097  N   SER F  70      25.565  38.195  29.176  1.00 24.94           N  
-ATOM   6098  CA  SER F  70      24.611  39.025  28.433  1.00 28.01           C  
-ATOM   6099  C   SER F  70      25.429  39.787  27.400  1.00 30.52           C  
-ATOM   6100  O   SER F  70      24.967  40.038  26.283  1.00 34.80           O  
-ATOM   6101  CB  SER F  70      23.895  40.029  29.337  1.00 24.21           C  
-ATOM   6102  OG  SER F  70      24.770  41.079  29.687  1.00 25.89           O  
-ATOM   6103  N   PHE F  71      26.645  40.170  27.776  1.00 28.65           N  
-ATOM   6104  CA  PHE F  71      27.508  40.857  26.832  1.00 30.85           C  
-ATOM   6105  C   PHE F  71      27.747  39.933  25.644  1.00 32.82           C  
-ATOM   6106  O   PHE F  71      28.090  40.383  24.561  1.00 36.46           O  
-ATOM   6107  CB  PHE F  71      28.833  41.238  27.485  1.00 26.26           C  
-ATOM   6108  CG  PHE F  71      28.737  42.448  28.356  1.00 23.65           C  
-ATOM   6109  CD1 PHE F  71      28.091  42.388  29.582  1.00 23.43           C  
-ATOM   6110  CD2 PHE F  71      29.251  43.668  27.928  1.00 25.22           C  
-ATOM   6111  CE1 PHE F  71      27.956  43.537  30.379  1.00 22.99           C  
-ATOM   6112  CE2 PHE F  71      29.120  44.817  28.712  1.00 25.14           C  
-ATOM   6113  CZ  PHE F  71      28.470  44.749  29.942  1.00 21.87           C  
-ATOM   6114  N   GLY F  72      27.564  38.635  25.864  1.00 33.92           N  
-ATOM   6115  CA  GLY F  72      27.725  37.679  24.792  1.00 34.22           C  
-ATOM   6116  C   GLY F  72      26.748  37.996  23.670  1.00 39.02           C  
-ATOM   6117  O   GLY F  72      27.085  37.807  22.497  1.00 44.40           O  
-ATOM   6118  N   ASP F  73      25.546  38.474  24.009  1.00 37.58           N  
-ATOM   6119  CA  ASP F  73      24.545  38.822  22.991  1.00 37.34           C  
-ATOM   6120  C   ASP F  73      24.904  40.168  22.373  1.00 37.07           C  
-ATOM   6121  O   ASP F  73      24.471  40.504  21.261  1.00 38.76           O  
-ATOM   6122  CB  ASP F  73      23.139  38.912  23.589  1.00 36.34           C  
-ATOM   6123  CG  ASP F  73      22.802  37.729  24.440  1.00 36.68           C  
-ATOM   6124  OD1 ASP F  73      23.067  36.593  23.997  1.00 42.65           O  
-ATOM   6125  OD2 ASP F  73      22.269  37.938  25.550  1.00 38.81           O  
-ATOM   6126  N   ALA F  74      25.684  40.951  23.107  1.00 33.98           N  
-ATOM   6127  CA  ALA F  74      26.107  42.237  22.588  1.00 34.03           C  
-ATOM   6128  C   ALA F  74      27.084  41.932  21.464  1.00 33.15           C  
-ATOM   6129  O   ALA F  74      26.864  42.330  20.322  1.00 37.39           O  
-ATOM   6130  CB  ALA F  74      26.787  43.050  23.675  1.00 35.15           C  
-ATOM   6131  N   VAL F  75      28.149  41.203  21.795  1.00 33.43           N  
-ATOM   6132  CA  VAL F  75      29.174  40.824  20.830  1.00 35.64           C  
-ATOM   6133  C   VAL F  75      28.549  40.103  19.637  1.00 39.75           C  
-ATOM   6134  O   VAL F  75      29.092  40.120  18.524  1.00 38.85           O  
-ATOM   6135  CB  VAL F  75      30.216  39.909  21.477  1.00 31.87           C  
-ATOM   6136  CG1 VAL F  75      31.284  39.530  20.457  1.00 34.55           C  
-ATOM   6137  CG2 VAL F  75      30.840  40.610  22.669  1.00 28.20           C  
-ATOM   6138  N   LYS F  76      27.396  39.489  19.897  1.00 40.46           N  
-ATOM   6139  CA  LYS F  76      26.601  38.748  18.912  1.00 45.63           C  
-ATOM   6140  C   LYS F  76      26.335  39.526  17.600  1.00 49.49           C  
-ATOM   6141  O   LYS F  76      26.511  38.990  16.496  1.00 47.66           O  
-ATOM   6142  CB  LYS F  76      25.264  38.366  19.565  1.00 42.16           C  
-ATOM   6143  CG  LYS F  76      24.651  37.053  19.132  1.00 42.61           C  
-ATOM   6144  CD  LYS F  76      25.306  35.877  19.821  1.00 43.08           C  
-ATOM   6145  CE  LYS F  76      26.603  35.479  19.153  1.00 47.44           C  
-ATOM   6146  NZ  LYS F  76      27.649  36.535  19.158  1.00 49.49           N  
-ATOM   6147  N   ASN F  77      25.898  40.779  17.750  1.00 49.60           N  
-ATOM   6148  CA  ASN F  77      25.581  41.674  16.642  1.00 49.70           C  
-ATOM   6149  C   ASN F  77      25.766  43.106  17.138  1.00 47.51           C  
-ATOM   6150  O   ASN F  77      24.803  43.816  17.444  1.00 47.51           O  
-ATOM   6151  CB  ASN F  77      24.135  41.453  16.188  1.00 56.24           C  
-ATOM   6152  CG  ASN F  77      23.167  41.290  17.366  1.00 63.12           C  
-ATOM   6153  OD1 ASN F  77      23.042  42.178  18.223  1.00 65.40           O  
-ATOM   6154  ND2 ASN F  77      22.477  40.150  17.409  1.00 61.61           N  
-ATOM   6155  N   LEU F  78      27.020  43.521  17.225  1.00 44.01           N  
-ATOM   6156  CA  LEU F  78      27.358  44.854  17.696  1.00 44.36           C  
-ATOM   6157  C   LEU F  78      26.548  45.987  17.032  1.00 47.88           C  
-ATOM   6158  O   LEU F  78      26.684  47.158  17.407  1.00 46.53           O  
-ATOM   6159  CB  LEU F  78      28.866  45.086  17.509  1.00 41.82           C  
-ATOM   6160  CG  LEU F  78      29.773  44.056  18.199  1.00 41.34           C  
-ATOM   6161  CD1 LEU F  78      31.222  44.251  17.781  1.00 36.77           C  
-ATOM   6162  CD2 LEU F  78      29.638  44.191  19.706  1.00 43.80           C  
-ATOM   6163  N   ASP F  79      25.709  45.642  16.055  1.00 49.71           N  
-ATOM   6164  CA  ASP F  79      24.888  46.636  15.358  1.00 50.43           C  
-ATOM   6165  C   ASP F  79      23.425  46.368  15.642  1.00 50.99           C  
-ATOM   6166  O   ASP F  79      22.586  46.489  14.747  1.00 54.06           O  
-ATOM   6167  CB  ASP F  79      25.104  46.562  13.840  1.00 45.67           C  
-ATOM   6168  CG  ASP F  79      26.508  46.940  13.432  1.00 48.02           C  
-ATOM   6169  OD1 ASP F  79      26.925  48.089  13.726  1.00 45.47           O  
-ATOM   6170  OD2 ASP F  79      27.189  46.088  12.814  1.00 47.00           O  
-ATOM   6171  N   ASN F  80      23.106  46.020  16.881  1.00 50.33           N  
-ATOM   6172  CA  ASN F  80      21.725  45.711  17.188  1.00 49.66           C  
-ATOM   6173  C   ASN F  80      21.458  45.698  18.680  1.00 48.60           C  
-ATOM   6174  O   ASN F  80      20.421  45.212  19.126  1.00 51.28           O  
-ATOM   6175  CB  ASN F  80      21.417  44.347  16.597  1.00 52.67           C  
-ATOM   6176  CG  ASN F  80      20.056  44.281  15.980  1.00 58.74           C  
-ATOM   6177  OD1 ASN F  80      19.677  45.153  15.193  1.00 60.05           O  
-ATOM   6178  ND2 ASN F  80      19.303  43.234  16.317  1.00 60.69           N  
-ATOM   6179  N   ILE F  81      22.399  46.241  19.441  1.00 46.80           N  
-ATOM   6180  CA  ILE F  81      22.315  46.276  20.895  1.00 43.92           C  
-ATOM   6181  C   ILE F  81      21.027  46.863  21.445  1.00 46.38           C  
-ATOM   6182  O   ILE F  81      20.416  46.279  22.345  1.00 46.94           O  
-ATOM   6183  CB  ILE F  81      23.500  47.048  21.472  1.00 43.97           C  
-ATOM   6184  CG1 ILE F  81      24.792  46.459  20.900  1.00 44.67           C  
-ATOM   6185  CG2 ILE F  81      23.504  46.957  22.994  1.00 40.98           C  
-ATOM   6186  CD1 ILE F  81      26.025  47.250  21.215  1.00 46.87           C  
-ATOM   6187  N   LYS F  82      20.613  48.011  20.911  1.00 47.39           N  
-ATOM   6188  CA  LYS F  82      19.389  48.658  21.370  1.00 46.27           C  
-ATOM   6189  C   LYS F  82      18.200  47.706  21.414  1.00 46.85           C  
-ATOM   6190  O   LYS F  82      17.576  47.527  22.463  1.00 49.86           O  
-ATOM   6191  CB  LYS F  82      19.053  49.856  20.478  1.00 49.71           C  
-ATOM   6192  CG  LYS F  82      17.582  50.289  20.537  1.00 56.92           C  
-ATOM   6193  CD  LYS F  82      16.729  49.554  19.486  1.00 61.75           C  
-ATOM   6194  CE  LYS F  82      15.218  49.640  19.758  1.00 61.51           C  
-ATOM   6195  NZ  LYS F  82      14.777  48.803  20.915  1.00 59.54           N  
-ATOM   6196  N   ASN F  83      17.898  47.091  20.274  1.00 46.57           N  
-ATOM   6197  CA  ASN F  83      16.763  46.172  20.159  1.00 47.17           C  
-ATOM   6198  C   ASN F  83      16.907  44.906  20.993  1.00 43.14           C  
-ATOM   6199  O   ASN F  83      15.917  44.341  21.446  1.00 40.80           O  
-ATOM   6200  CB  ASN F  83      16.552  45.773  18.693  1.00 51.12           C  
-ATOM   6201  CG  ASN F  83      16.712  46.939  17.741  1.00 55.32           C  
-ATOM   6202  OD1 ASN F  83      17.823  47.437  17.536  1.00 62.62           O  
-ATOM   6203  ND2 ASN F  83      15.604  47.388  17.158  1.00 54.12           N  
-ATOM   6204  N   THR F  84      18.144  44.464  21.187  1.00 40.53           N  
-ATOM   6205  CA  THR F  84      18.404  43.254  21.945  1.00 38.90           C  
-ATOM   6206  C   THR F  84      18.405  43.468  23.455  1.00 40.13           C  
-ATOM   6207  O   THR F  84      18.466  42.502  24.209  1.00 43.02           O  
-ATOM   6208  CB  THR F  84      19.754  42.631  21.545  1.00 35.58           C  
-ATOM   6209  OG1 THR F  84      20.810  43.470  22.008  1.00 37.67           O  
-ATOM   6210  CG2 THR F  84      19.860  42.492  20.029  1.00 30.88           C  
-ATOM   6211  N   PHE F  85      18.343  44.719  23.900  1.00 41.19           N  
-ATOM   6212  CA  PHE F  85      18.335  45.004  25.338  1.00 44.98           C  
-ATOM   6213  C   PHE F  85      17.135  45.805  25.808  1.00 45.52           C  
-ATOM   6214  O   PHE F  85      17.072  46.197  26.975  1.00 46.59           O  
-ATOM   6215  CB  PHE F  85      19.591  45.761  25.763  1.00 44.73           C  
-ATOM   6216  CG  PHE F  85      20.804  44.905  25.874  1.00 42.75           C  
-ATOM   6217  CD1 PHE F  85      21.507  44.527  24.739  1.00 44.33           C  
-ATOM   6218  CD2 PHE F  85      21.252  44.481  27.120  1.00 43.78           C  
-ATOM   6219  CE1 PHE F  85      22.650  43.739  24.836  1.00 47.49           C  
-ATOM   6220  CE2 PHE F  85      22.394  43.690  27.234  1.00 48.06           C  
-ATOM   6221  CZ  PHE F  85      23.098  43.318  26.088  1.00 48.01           C  
-ATOM   6222  N   ALA F  86      16.198  46.062  24.902  1.00 47.20           N  
-ATOM   6223  CA  ALA F  86      15.002  46.823  25.244  1.00 45.78           C  
-ATOM   6224  C   ALA F  86      14.319  46.196  26.461  1.00 44.21           C  
-ATOM   6225  O   ALA F  86      13.978  46.892  27.419  1.00 44.73           O  
-ATOM   6226  CB  ALA F  86      14.044  46.865  24.053  1.00 46.32           C  
-ATOM   6227  N   GLN F  87      14.126  44.883  26.421  1.00 42.15           N  
-ATOM   6228  CA  GLN F  87      13.502  44.162  27.528  1.00 45.66           C  
-ATOM   6229  C   GLN F  87      14.374  44.255  28.785  1.00 44.24           C  
-ATOM   6230  O   GLN F  87      13.869  44.233  29.912  1.00 42.71           O  
-ATOM   6231  CB  GLN F  87      13.285  42.684  27.157  1.00 49.73           C  
-ATOM   6232  CG  GLN F  87      14.063  42.195  25.922  1.00 55.99           C  
-ATOM   6233  CD  GLN F  87      15.482  42.776  25.818  1.00 59.77           C  
-ATOM   6234  OE1 GLN F  87      16.277  42.684  26.754  1.00 59.08           O  
-ATOM   6235  NE2 GLN F  87      15.795  43.375  24.668  1.00 58.25           N  
-ATOM   6236  N   LEU F  88      15.686  44.347  28.579  1.00 42.42           N  
-ATOM   6237  CA  LEU F  88      16.629  44.455  29.682  1.00 42.04           C  
-ATOM   6238  C   LEU F  88      16.561  45.859  30.261  1.00 41.43           C  
-ATOM   6239  O   LEU F  88      16.699  46.046  31.469  1.00 44.11           O  
-ATOM   6240  CB  LEU F  88      18.067  44.165  29.220  1.00 42.47           C  
-ATOM   6241  CG  LEU F  88      18.702  42.823  29.613  1.00 37.12           C  
-ATOM   6242  CD1 LEU F  88      18.313  42.480  31.040  1.00 37.48           C  
-ATOM   6243  CD2 LEU F  88      18.226  41.730  28.684  1.00 38.65           C  
-ATOM   6244  N   SER F  89      16.356  46.849  29.398  1.00 40.79           N  
-ATOM   6245  CA  SER F  89      16.259  48.231  29.861  1.00 43.33           C  
-ATOM   6246  C   SER F  89      14.941  48.410  30.616  1.00 43.31           C  
-ATOM   6247  O   SER F  89      14.880  49.117  31.621  1.00 40.49           O  
-ATOM   6248  CB  SER F  89      16.312  49.214  28.683  1.00 40.30           C  
-ATOM   6249  OG  SER F  89      15.082  49.261  27.983  1.00 42.24           O  
-ATOM   6250  N   GLU F  90      13.897  47.745  30.129  1.00 45.34           N  
-ATOM   6251  CA  GLU F  90      12.573  47.830  30.729  1.00 47.65           C  
-ATOM   6252  C   GLU F  90      12.529  47.503  32.224  1.00 45.22           C  
-ATOM   6253  O   GLU F  90      11.932  48.255  33.003  1.00 43.02           O  
-ATOM   6254  CB  GLU F  90      11.594  46.930  29.964  1.00 53.52           C  
-ATOM   6255  CG  GLU F  90      10.131  47.229  30.279  1.00 59.09           C  
-ATOM   6256  CD  GLU F  90       9.241  47.175  29.050  1.00 61.21           C  
-ATOM   6257  OE1 GLU F  90       8.156  47.790  29.092  1.00 63.66           O  
-ATOM   6258  OE2 GLU F  90       9.618  46.521  28.051  1.00 62.91           O  
-ATOM   6259  N   LEU F  91      13.145  46.397  32.639  1.00 42.15           N  
-ATOM   6260  CA  LEU F  91      13.121  46.065  34.058  1.00 42.37           C  
-ATOM   6261  C   LEU F  91      14.073  46.962  34.853  1.00 40.95           C  
-ATOM   6262  O   LEU F  91      13.720  47.449  35.928  1.00 43.08           O  
-ATOM   6263  CB  LEU F  91      13.431  44.578  34.282  1.00 43.11           C  
-ATOM   6264  CG  LEU F  91      14.755  43.964  33.834  1.00 47.96           C  
-ATOM   6265  CD1 LEU F  91      15.861  44.366  34.793  1.00 50.01           C  
-ATOM   6266  CD2 LEU F  91      14.626  42.445  33.820  1.00 50.62           C  
-ATOM   6267  N   HIS F  92      15.263  47.214  34.317  1.00 36.32           N  
-ATOM   6268  CA  HIS F  92      16.217  48.068  35.021  1.00 34.97           C  
-ATOM   6269  C   HIS F  92      15.697  49.505  35.187  1.00 34.13           C  
-ATOM   6270  O   HIS F  92      16.062  50.211  36.130  1.00 31.61           O  
-ATOM   6271  CB  HIS F  92      17.572  48.096  34.284  1.00 33.28           C  
-ATOM   6272  CG  HIS F  92      18.425  46.882  34.518  1.00 31.99           C  
-ATOM   6273  ND1 HIS F  92      18.512  45.843  33.614  1.00 27.46           N  
-ATOM   6274  CD2 HIS F  92      19.206  46.529  35.569  1.00 31.65           C  
-ATOM   6275  CE1 HIS F  92      19.305  44.903  34.100  1.00 30.05           C  
-ATOM   6276  NE2 HIS F  92      19.739  45.294  35.285  1.00 31.19           N  
-ATOM   6277  N   CYS F  93      14.819  49.918  34.281  1.00 37.77           N  
-ATOM   6278  CA  CYS F  93      14.279  51.279  34.271  1.00 38.41           C  
-ATOM   6279  C   CYS F  93      12.905  51.454  34.920  1.00 35.88           C  
-ATOM   6280  O   CYS F  93      12.744  52.214  35.877  1.00 30.77           O  
-ATOM   6281  CB  CYS F  93      14.233  51.771  32.812  1.00 38.40           C  
-ATOM   6282  SG  CYS F  93      13.658  53.452  32.571  1.00 49.10           S  
-ATOM   6283  N   ASP F  94      11.922  50.746  34.376  1.00 37.81           N  
-ATOM   6284  CA  ASP F  94      10.552  50.810  34.854  1.00 38.31           C  
-ATOM   6285  C   ASP F  94      10.355  49.974  36.104  1.00 35.61           C  
-ATOM   6286  O   ASP F  94       9.542  50.308  36.957  1.00 33.62           O  
-ATOM   6287  CB  ASP F  94       9.609  50.314  33.760  1.00 45.72           C  
-ATOM   6288  CG  ASP F  94       9.922  50.919  32.399  1.00 52.01           C  
-ATOM   6289  OD1 ASP F  94       9.270  50.519  31.408  1.00 54.08           O  
-ATOM   6290  OD2 ASP F  94      10.817  51.791  32.320  1.00 53.05           O  
-ATOM   6291  N   LYS F  95      11.096  48.885  36.220  1.00 35.89           N  
-ATOM   6292  CA  LYS F  95      10.948  48.035  37.391  1.00 39.95           C  
-ATOM   6293  C   LYS F  95      11.880  48.409  38.553  1.00 37.81           C  
-ATOM   6294  O   LYS F  95      11.436  49.046  39.503  1.00 38.34           O  
-ATOM   6295  CB  LYS F  95      11.129  46.564  36.993  1.00 46.54           C  
-ATOM   6296  CG  LYS F  95      11.047  45.559  38.152  1.00 55.16           C  
-ATOM   6297  CD  LYS F  95       9.752  45.669  38.967  1.00 55.29           C  
-ATOM   6298  CE  LYS F  95       9.998  46.378  40.299  1.00 57.08           C  
-ATOM   6299  NZ  LYS F  95      11.014  45.669  41.157  1.00 52.78           N  
-ATOM   6300  N   LEU F  96      13.157  48.030  38.485  1.00 33.23           N  
-ATOM   6301  CA  LEU F  96      14.093  48.342  39.565  1.00 32.42           C  
-ATOM   6302  C   LEU F  96      14.351  49.835  39.760  1.00 32.95           C  
-ATOM   6303  O   LEU F  96      14.598  50.290  40.876  1.00 30.54           O  
-ATOM   6304  CB  LEU F  96      15.437  47.644  39.342  1.00 30.19           C  
-ATOM   6305  CG  LEU F  96      15.475  46.121  39.279  1.00 34.13           C  
-ATOM   6306  CD1 LEU F  96      14.492  45.541  40.296  1.00 32.36           C  
-ATOM   6307  CD2 LEU F  96      15.126  45.666  37.873  1.00 38.51           C  
-ATOM   6308  N   HIS F  97      14.300  50.588  38.664  1.00 37.54           N  
-ATOM   6309  CA  HIS F  97      14.555  52.031  38.679  1.00 36.90           C  
-ATOM   6310  C   HIS F  97      16.008  52.341  39.031  1.00 33.22           C  
-ATOM   6311  O   HIS F  97      16.296  53.249  39.813  1.00 33.93           O  
-ATOM   6312  CB  HIS F  97      13.626  52.743  39.670  1.00 43.61           C  
-ATOM   6313  CG  HIS F  97      12.214  52.874  39.190  1.00 48.57           C  
-ATOM   6314  ND1 HIS F  97      11.267  51.890  39.380  1.00 50.58           N  
-ATOM   6315  CD2 HIS F  97      11.600  53.859  38.495  1.00 49.30           C  
-ATOM   6316  CE1 HIS F  97      10.130  52.263  38.821  1.00 50.98           C  
-ATOM   6317  NE2 HIS F  97      10.306  53.453  38.276  1.00 54.00           N  
-ATOM   6318  N   VAL F  98      16.925  51.572  38.459  1.00 28.04           N  
-ATOM   6319  CA  VAL F  98      18.335  51.782  38.719  1.00 20.19           C  
-ATOM   6320  C   VAL F  98      18.700  53.091  38.081  1.00 19.92           C  
-ATOM   6321  O   VAL F  98      18.291  53.360  36.962  1.00 20.75           O  
-ATOM   6322  CB  VAL F  98      19.179  50.688  38.078  1.00 15.47           C  
-ATOM   6323  CG1 VAL F  98      20.662  51.012  38.237  1.00  8.10           C  
-ATOM   6324  CG2 VAL F  98      18.825  49.351  38.700  1.00 10.14           C  
-ATOM   6325  N   ASP F  99      19.450  53.926  38.784  1.00 23.24           N  
-ATOM   6326  CA  ASP F  99      19.845  55.185  38.180  1.00 22.35           C  
-ATOM   6327  C   ASP F  99      20.931  54.866  37.153  1.00 22.31           C  
-ATOM   6328  O   ASP F  99      21.891  54.147  37.445  1.00 21.94           O  
-ATOM   6329  CB  ASP F  99      20.396  56.142  39.227  1.00 24.51           C  
-ATOM   6330  CG  ASP F  99      20.459  57.573  38.721  1.00 30.98           C  
-ATOM   6331  OD1 ASP F  99      19.463  58.320  38.928  1.00 25.60           O  
-ATOM   6332  OD2 ASP F  99      21.495  57.938  38.106  1.00 26.36           O  
-ATOM   6333  N   PRO F 100      20.781  55.368  35.926  1.00 22.46           N  
-ATOM   6334  CA  PRO F 100      21.771  55.118  34.879  1.00 22.62           C  
-ATOM   6335  C   PRO F 100      23.222  55.251  35.341  1.00 23.76           C  
-ATOM   6336  O   PRO F 100      24.102  54.563  34.822  1.00 22.88           O  
-ATOM   6337  CB  PRO F 100      21.397  56.142  33.825  1.00 25.83           C  
-ATOM   6338  CG  PRO F 100      19.901  56.092  33.886  1.00 29.22           C  
-ATOM   6339  CD  PRO F 100      19.620  56.094  35.384  1.00 25.59           C  
-ATOM   6340  N   GLU F 101      23.463  56.125  36.317  1.00 22.28           N  
-ATOM   6341  CA  GLU F 101      24.808  56.348  36.851  1.00 21.33           C  
-ATOM   6342  C   GLU F 101      25.503  55.057  37.318  1.00 18.36           C  
-ATOM   6343  O   GLU F 101      26.727  54.968  37.321  1.00 20.49           O  
-ATOM   6344  CB  GLU F 101      24.745  57.341  38.011  1.00 27.31           C  
-ATOM   6345  CG  GLU F 101      25.496  58.641  37.806  1.00 38.29           C  
-ATOM   6346  CD  GLU F 101      26.993  58.442  37.648  1.00 48.48           C  
-ATOM   6347  OE1 GLU F 101      27.423  57.949  36.581  1.00 53.11           O  
-ATOM   6348  OE2 GLU F 101      27.742  58.776  38.592  1.00 56.11           O  
-ATOM   6349  N   ASN F 102      24.735  54.053  37.717  1.00 15.86           N  
-ATOM   6350  CA  ASN F 102      25.341  52.804  38.171  1.00 13.72           C  
-ATOM   6351  C   ASN F 102      25.767  51.909  37.018  1.00 12.61           C  
-ATOM   6352  O   ASN F 102      26.675  51.106  37.177  1.00 13.78           O  
-ATOM   6353  CB  ASN F 102      24.386  52.045  39.088  1.00 10.45           C  
-ATOM   6354  CG  ASN F 102      23.903  52.895  40.234  1.00  8.42           C  
-ATOM   6355  OD1 ASN F 102      22.823  53.471  40.186  1.00 11.10           O  
-ATOM   6356  ND2 ASN F 102      24.716  53.000  41.265  1.00 15.58           N  
-ATOM   6357  N   PHE F 103      25.105  52.034  35.865  1.00 19.54           N  
-ATOM   6358  CA  PHE F 103      25.461  51.246  34.674  1.00 14.58           C  
-ATOM   6359  C   PHE F 103      26.886  51.664  34.320  1.00 12.24           C  
-ATOM   6360  O   PHE F 103      27.745  50.842  34.029  1.00 14.72           O  
-ATOM   6361  CB  PHE F 103      24.559  51.568  33.481  1.00 13.88           C  
-ATOM   6362  CG  PHE F 103      23.096  51.340  33.723  1.00 19.08           C  
-ATOM   6363  CD1 PHE F 103      22.658  50.348  34.592  1.00 24.55           C  
-ATOM   6364  CD2 PHE F 103      22.147  52.084  33.022  1.00 19.36           C  
-ATOM   6365  CE1 PHE F 103      21.286  50.095  34.761  1.00 27.15           C  
-ATOM   6366  CE2 PHE F 103      20.782  51.842  33.176  1.00 22.31           C  
-ATOM   6367  CZ  PHE F 103      20.347  50.846  34.047  1.00 26.27           C  
-ATOM   6368  N   ARG F 104      27.123  52.963  34.343  1.00  7.05           N  
-ATOM   6369  CA  ARG F 104      28.433  53.491  34.072  1.00 10.45           C  
-ATOM   6370  C   ARG F 104      29.402  52.845  35.077  1.00 12.17           C  
-ATOM   6371  O   ARG F 104      30.438  52.279  34.696  1.00 15.18           O  
-ATOM   6372  CB  ARG F 104      28.385  55.024  34.224  1.00 11.35           C  
-ATOM   6373  CG  ARG F 104      29.723  55.762  34.138  1.00 19.67           C  
-ATOM   6374  CD  ARG F 104      30.600  55.464  35.343  1.00 31.50           C  
-ATOM   6375  NE  ARG F 104      31.828  56.248  35.376  1.00 36.36           N  
-ATOM   6376  CZ  ARG F 104      31.896  57.514  35.764  1.00 38.17           C  
-ATOM   6377  NH1 ARG F 104      30.796  58.146  36.154  1.00 38.58           N  
-ATOM   6378  NH2 ARG F 104      33.067  58.140  35.775  1.00 41.31           N  
-ATOM   6379  N   LEU F 105      29.051  52.918  36.358  1.00 11.34           N  
-ATOM   6380  CA  LEU F 105      29.885  52.374  37.422  1.00  9.55           C  
-ATOM   6381  C   LEU F 105      30.328  50.939  37.186  1.00 10.86           C  
-ATOM   6382  O   LEU F 105      31.520  50.642  37.232  1.00  6.82           O  
-ATOM   6383  CB  LEU F 105      29.154  52.480  38.763  1.00 10.53           C  
-ATOM   6384  CG  LEU F 105      28.962  53.903  39.295  1.00  6.64           C  
-ATOM   6385  CD1 LEU F 105      28.241  53.886  40.629  1.00  8.48           C  
-ATOM   6386  CD2 LEU F 105      30.297  54.536  39.446  1.00  3.36           C  
-ATOM   6387  N   LEU F 106      29.367  50.056  36.942  1.00 12.59           N  
-ATOM   6388  CA  LEU F 106      29.657  48.649  36.693  1.00 14.46           C  
-ATOM   6389  C   LEU F 106      30.561  48.481  35.471  1.00 11.73           C  
-ATOM   6390  O   LEU F 106      31.544  47.731  35.501  1.00  9.14           O  
-ATOM   6391  CB  LEU F 106      28.354  47.871  36.477  1.00 11.56           C  
-ATOM   6392  CG  LEU F 106      28.572  46.403  36.126  1.00 10.60           C  
-ATOM   6393  CD1 LEU F 106      29.391  45.759  37.222  1.00  6.83           C  
-ATOM   6394  CD2 LEU F 106      27.262  45.704  35.957  1.00  3.36           C  
-ATOM   6395  N   GLY F 107      30.213  49.183  34.398  1.00 11.06           N  
-ATOM   6396  CA  GLY F 107      30.999  49.108  33.182  1.00 11.61           C  
-ATOM   6397  C   GLY F 107      32.457  49.395  33.458  1.00  9.23           C  
-ATOM   6398  O   GLY F 107      33.345  48.730  32.931  1.00  8.16           O  
-ATOM   6399  N   ASP F 108      32.706  50.389  34.296  1.00  8.39           N  
-ATOM   6400  CA  ASP F 108      34.069  50.732  34.630  1.00 12.70           C  
-ATOM   6401  C   ASP F 108      34.768  49.596  35.349  1.00 12.63           C  
-ATOM   6402  O   ASP F 108      35.894  49.238  35.002  1.00 19.89           O  
-ATOM   6403  CB  ASP F 108      34.110  51.990  35.487  1.00 20.14           C  
-ATOM   6404  CG  ASP F 108      33.996  53.256  34.669  1.00 28.39           C  
-ATOM   6405  OD1 ASP F 108      33.959  54.338  35.291  1.00 34.38           O  
-ATOM   6406  OD2 ASP F 108      33.952  53.174  33.417  1.00 27.44           O  
-ATOM   6407  N   ILE F 109      34.118  49.025  36.353  1.00  9.56           N  
-ATOM   6408  CA  ILE F 109      34.729  47.925  37.085  1.00 10.93           C  
-ATOM   6409  C   ILE F 109      35.067  46.780  36.117  1.00 13.28           C  
-ATOM   6410  O   ILE F 109      36.192  46.249  36.107  1.00  8.97           O  
-ATOM   6411  CB  ILE F 109      33.798  47.454  38.213  1.00  7.36           C  
-ATOM   6412  CG1 ILE F 109      33.864  48.494  39.331  1.00 10.79           C  
-ATOM   6413  CG2 ILE F 109      34.198  46.055  38.717  1.00  3.36           C  
-ATOM   6414  CD1 ILE F 109      32.822  48.336  40.400  1.00 13.85           C  
-ATOM   6415  N   LEU F 110      34.097  46.430  35.284  1.00  8.53           N  
-ATOM   6416  CA  LEU F 110      34.273  45.379  34.307  1.00  6.93           C  
-ATOM   6417  C   LEU F 110      35.593  45.562  33.552  1.00 10.39           C  
-ATOM   6418  O   LEU F 110      36.362  44.605  33.377  1.00  6.77           O  
-ATOM   6419  CB  LEU F 110      33.077  45.406  33.355  1.00 11.88           C  
-ATOM   6420  CG  LEU F 110      32.957  44.335  32.278  1.00 11.63           C  
-ATOM   6421  CD1 LEU F 110      33.649  44.813  31.035  1.00 18.74           C  
-ATOM   6422  CD2 LEU F 110      33.564  43.038  32.775  1.00 10.41           C  
-ATOM   6423  N   ILE F 111      35.862  46.792  33.115  1.00  8.61           N  
-ATOM   6424  CA  ILE F 111      37.102  47.073  32.396  1.00  9.93           C  
-ATOM   6425  C   ILE F 111      38.318  46.711  33.245  1.00 12.38           C  
-ATOM   6426  O   ILE F 111      39.221  46.017  32.781  1.00 16.41           O  
-ATOM   6427  CB  ILE F 111      37.240  48.559  32.012  1.00  3.36           C  
-ATOM   6428  CG1 ILE F 111      36.081  48.996  31.122  1.00  6.31           C  
-ATOM   6429  CG2 ILE F 111      38.540  48.780  31.306  1.00  3.36           C  
-ATOM   6430  CD1 ILE F 111      35.967  48.273  29.821  1.00  3.36           C  
-ATOM   6431  N   ILE F 112      38.346  47.194  34.484  1.00 12.77           N  
-ATOM   6432  CA  ILE F 112      39.464  46.918  35.377  1.00 12.58           C  
-ATOM   6433  C   ILE F 112      39.668  45.416  35.526  1.00 16.06           C  
-ATOM   6434  O   ILE F 112      40.801  44.937  35.510  1.00 18.27           O  
-ATOM   6435  CB  ILE F 112      39.236  47.518  36.784  1.00  6.30           C  
-ATOM   6436  CG1 ILE F 112      39.119  49.023  36.693  1.00  7.33           C  
-ATOM   6437  CG2 ILE F 112      40.399  47.205  37.686  1.00  3.36           C  
-ATOM   6438  CD1 ILE F 112      38.952  49.677  38.021  1.00 11.71           C  
-ATOM   6439  N   VAL F 113      38.574  44.673  35.675  1.00 18.34           N  
-ATOM   6440  CA  VAL F 113      38.666  43.226  35.838  1.00 19.17           C  
-ATOM   6441  C   VAL F 113      39.353  42.589  34.637  1.00 17.08           C  
-ATOM   6442  O   VAL F 113      40.285  41.806  34.792  1.00 15.44           O  
-ATOM   6443  CB  VAL F 113      37.258  42.579  36.052  1.00 20.53           C  
-ATOM   6444  CG1 VAL F 113      37.335  41.059  35.891  1.00 25.57           C  
-ATOM   6445  CG2 VAL F 113      36.744  42.899  37.447  1.00 15.30           C  
-ATOM   6446  N   LEU F 114      38.902  42.930  33.436  1.00 19.57           N  
-ATOM   6447  CA  LEU F 114      39.518  42.367  32.243  1.00 13.13           C  
-ATOM   6448  C   LEU F 114      41.001  42.698  32.246  1.00 15.39           C  
-ATOM   6449  O   LEU F 114      41.828  41.830  31.994  1.00 22.50           O  
-ATOM   6450  CB  LEU F 114      38.844  42.912  30.991  1.00  8.23           C  
-ATOM   6451  CG  LEU F 114      37.426  42.375  30.819  1.00  3.36           C  
-ATOM   6452  CD1 LEU F 114      36.756  43.019  29.647  1.00  6.98           C  
-ATOM   6453  CD2 LEU F 114      37.471  40.900  30.643  1.00  3.36           C  
-ATOM   6454  N   ALA F 115      41.343  43.942  32.560  1.00 14.11           N  
-ATOM   6455  CA  ALA F 115      42.741  44.362  32.608  1.00 13.83           C  
-ATOM   6456  C   ALA F 115      43.616  43.517  33.539  1.00 12.90           C  
-ATOM   6457  O   ALA F 115      44.814  43.337  33.292  1.00 12.84           O  
-ATOM   6458  CB  ALA F 115      42.817  45.814  33.018  1.00 21.53           C  
-ATOM   6459  N   ALA F 116      43.032  42.997  34.613  1.00 11.36           N  
-ATOM   6460  CA  ALA F 116      43.805  42.175  35.544  1.00 14.56           C  
-ATOM   6461  C   ALA F 116      43.932  40.718  35.087  1.00 21.15           C  
-ATOM   6462  O   ALA F 116      44.850  40.005  35.505  1.00 20.60           O  
-ATOM   6463  CB  ALA F 116      43.192  42.222  36.904  1.00  3.79           C  
-ATOM   6464  N   HIS F 117      43.021  40.280  34.222  1.00 23.47           N  
-ATOM   6465  CA  HIS F 117      43.048  38.910  33.740  1.00 26.34           C  
-ATOM   6466  C   HIS F 117      43.798  38.693  32.435  1.00 29.72           C  
-ATOM   6467  O   HIS F 117      44.279  37.590  32.180  1.00 33.63           O  
-ATOM   6468  CB  HIS F 117      41.619  38.375  33.627  1.00 31.77           C  
-ATOM   6469  CG  HIS F 117      40.990  38.078  34.957  1.00 41.90           C  
-ATOM   6470  ND1 HIS F 117      39.681  37.664  35.090  1.00 43.59           N  
-ATOM   6471  CD2 HIS F 117      41.494  38.142  36.215  1.00 42.62           C  
-ATOM   6472  CE1 HIS F 117      39.407  37.489  36.371  1.00 44.98           C  
-ATOM   6473  NE2 HIS F 117      40.489  37.772  37.074  1.00 44.07           N  
-ATOM   6474  N   PHE F 118      43.912  39.725  31.605  1.00 27.92           N  
-ATOM   6475  CA  PHE F 118      44.626  39.571  30.352  1.00 21.37           C  
-ATOM   6476  C   PHE F 118      45.910  40.372  30.363  1.00 23.37           C  
-ATOM   6477  O   PHE F 118      46.580  40.487  29.345  1.00 28.08           O  
-ATOM   6478  CB  PHE F 118      43.744  39.996  29.186  1.00 22.78           C  
-ATOM   6479  CG  PHE F 118      42.512  39.162  29.043  1.00 29.35           C  
-ATOM   6480  CD1 PHE F 118      41.477  39.267  29.963  1.00 29.86           C  
-ATOM   6481  CD2 PHE F 118      42.403  38.228  28.018  1.00 34.17           C  
-ATOM   6482  CE1 PHE F 118      40.347  38.450  29.869  1.00 30.66           C  
-ATOM   6483  CE2 PHE F 118      41.277  37.404  27.914  1.00 34.34           C  
-ATOM   6484  CZ  PHE F 118      40.247  37.518  28.844  1.00 32.37           C  
-ATOM   6485  N   ALA F 119      46.261  40.916  31.525  1.00 22.24           N  
-ATOM   6486  CA  ALA F 119      47.485  41.707  31.666  1.00 21.78           C  
-ATOM   6487  C   ALA F 119      47.864  42.532  30.425  1.00 24.69           C  
-ATOM   6488  O   ALA F 119      47.083  43.357  29.937  1.00 24.44           O  
-ATOM   6489  CB  ALA F 119      48.644  40.811  32.051  1.00  3.36           C  
-ATOM   6490  N   LYS F 120      49.064  42.302  29.911  1.00 26.69           N  
-ATOM   6491  CA  LYS F 120      49.542  43.063  28.767  1.00 27.37           C  
-ATOM   6492  C   LYS F 120      48.815  42.821  27.436  1.00 28.94           C  
-ATOM   6493  O   LYS F 120      49.056  43.529  26.463  1.00 28.29           O  
-ATOM   6494  CB  LYS F 120      51.049  42.847  28.617  1.00 29.34           C  
-ATOM   6495  CG  LYS F 120      51.783  42.961  29.947  1.00 33.29           C  
-ATOM   6496  CD  LYS F 120      53.271  43.234  29.786  1.00 44.99           C  
-ATOM   6497  CE  LYS F 120      53.536  44.671  29.338  1.00 47.98           C  
-ATOM   6498  NZ  LYS F 120      54.987  45.035  29.439  1.00 51.40           N  
-ATOM   6499  N   GLU F 121      47.923  41.839  27.380  1.00 28.61           N  
-ATOM   6500  CA  GLU F 121      47.180  41.593  26.146  1.00 29.21           C  
-ATOM   6501  C   GLU F 121      45.987  42.548  26.067  1.00 30.43           C  
-ATOM   6502  O   GLU F 121      45.291  42.618  25.045  1.00 31.59           O  
-ATOM   6503  CB  GLU F 121      46.705  40.140  26.086  1.00 36.21           C  
-ATOM   6504  CG  GLU F 121      45.577  39.878  25.102  1.00 43.43           C  
-ATOM   6505  CD  GLU F 121      45.603  38.467  24.543  1.00 51.39           C  
-ATOM   6506  OE1 GLU F 121      45.796  37.504  25.321  1.00 53.40           O  
-ATOM   6507  OE2 GLU F 121      45.421  38.321  23.315  1.00 57.12           O  
-ATOM   6508  N   PHE F 122      45.759  43.284  27.153  1.00 28.47           N  
-ATOM   6509  CA  PHE F 122      44.673  44.256  27.211  1.00 23.56           C  
-ATOM   6510  C   PHE F 122      45.291  45.596  26.871  1.00 26.22           C  
-ATOM   6511  O   PHE F 122      45.533  46.432  27.741  1.00 25.46           O  
-ATOM   6512  CB  PHE F 122      44.072  44.299  28.606  1.00 19.58           C  
-ATOM   6513  CG  PHE F 122      42.716  44.887  28.643  1.00 13.03           C  
-ATOM   6514  CD1 PHE F 122      41.690  44.327  27.894  1.00 14.70           C  
-ATOM   6515  CD2 PHE F 122      42.462  46.026  29.394  1.00 15.78           C  
-ATOM   6516  CE1 PHE F 122      40.419  44.895  27.884  1.00 16.21           C  
-ATOM   6517  CE2 PHE F 122      41.197  46.605  29.396  1.00 14.05           C  
-ATOM   6518  CZ  PHE F 122      40.169  46.037  28.634  1.00 15.16           C  
-ATOM   6519  N   THR F 123      45.555  45.772  25.580  1.00 31.70           N  
-ATOM   6520  CA  THR F 123      46.176  46.971  25.027  1.00 27.31           C  
-ATOM   6521  C   THR F 123      45.260  48.179  25.070  1.00 24.73           C  
-ATOM   6522  O   THR F 123      44.040  48.044  25.098  1.00 26.45           O  
-ATOM   6523  CB  THR F 123      46.554  46.733  23.574  1.00 30.44           C  
-ATOM   6524  OG1 THR F 123      45.359  46.531  22.803  1.00 37.19           O  
-ATOM   6525  CG2 THR F 123      47.421  45.498  23.458  1.00 32.78           C  
-ATOM   6526  N   PRO F 124      45.844  49.384  25.074  1.00 20.49           N  
-ATOM   6527  CA  PRO F 124      45.090  50.629  25.107  1.00 17.64           C  
-ATOM   6528  C   PRO F 124      43.967  50.628  24.079  1.00 20.95           C  
-ATOM   6529  O   PRO F 124      42.833  51.016  24.372  1.00 23.76           O  
-ATOM   6530  CB  PRO F 124      46.156  51.653  24.810  1.00 16.18           C  
-ATOM   6531  CG  PRO F 124      47.311  51.100  25.553  1.00 11.66           C  
-ATOM   6532  CD  PRO F 124      47.286  49.658  25.164  1.00 18.32           C  
-ATOM   6533  N   ASP F 125      44.274  50.191  22.870  1.00 23.63           N  
-ATOM   6534  CA  ASP F 125      43.250  50.145  21.833  1.00 31.93           C  
-ATOM   6535  C   ASP F 125      42.137  49.219  22.278  1.00 30.40           C  
-ATOM   6536  O   ASP F 125      40.955  49.510  22.076  1.00 33.64           O  
-ATOM   6537  CB  ASP F 125      43.827  49.627  20.520  1.00 38.01           C  
-ATOM   6538  CG  ASP F 125      44.957  50.469  20.030  1.00 46.20           C  
-ATOM   6539  OD1 ASP F 125      46.004  50.501  20.716  1.00 54.56           O  
-ATOM   6540  OD2 ASP F 125      44.792  51.103  18.968  1.00 51.18           O  
-ATOM   6541  N   CYS F 126      42.531  48.093  22.870  1.00 30.56           N  
-ATOM   6542  CA  CYS F 126      41.578  47.108  23.362  1.00 25.54           C  
-ATOM   6543  C   CYS F 126      40.713  47.764  24.467  1.00 22.93           C  
-ATOM   6544  O   CYS F 126      39.480  47.703  24.423  1.00 20.10           O  
-ATOM   6545  CB  CYS F 126      42.335  45.880  23.888  1.00 22.42           C  
-ATOM   6546  SG  CYS F 126      41.303  44.407  24.150  1.00 32.20           S  
-ATOM   6547  N   GLN F 127      41.351  48.413  25.441  1.00 16.61           N  
-ATOM   6548  CA  GLN F 127      40.597  49.067  26.486  1.00 10.43           C  
-ATOM   6549  C   GLN F 127      39.547  49.975  25.874  1.00 14.46           C  
-ATOM   6550  O   GLN F 127      38.373  49.873  26.212  1.00 12.74           O  
-ATOM   6551  CB  GLN F 127      41.496  49.895  27.389  1.00  6.18           C  
-ATOM   6552  CG  GLN F 127      40.684  50.766  28.323  1.00  7.86           C  
-ATOM   6553  CD  GLN F 127      41.517  51.457  29.369  1.00 17.82           C  
-ATOM   6554  OE1 GLN F 127      42.749  51.353  29.375  1.00 18.73           O  
-ATOM   6555  NE2 GLN F 127      40.849  52.181  30.271  1.00 23.08           N  
-ATOM   6556  N   ALA F 128      39.970  50.861  24.974  1.00 18.00           N  
-ATOM   6557  CA  ALA F 128      39.047  51.791  24.323  1.00 16.75           C  
-ATOM   6558  C   ALA F 128      37.860  51.082  23.675  1.00 17.33           C  
-ATOM   6559  O   ALA F 128      36.724  51.542  23.774  1.00 20.59           O  
-ATOM   6560  CB  ALA F 128      39.784  52.615  23.287  1.00 20.13           C  
-ATOM   6561  N   ALA F 129      38.117  49.955  23.023  1.00 15.89           N  
-ATOM   6562  CA  ALA F 129      37.053  49.209  22.354  1.00 20.28           C  
-ATOM   6563  C   ALA F 129      35.976  48.722  23.324  1.00 21.79           C  
-ATOM   6564  O   ALA F 129      34.772  48.788  23.034  1.00 18.16           O  
-ATOM   6565  CB  ALA F 129      37.649  48.034  21.594  1.00 20.81           C  
-ATOM   6566  N   TRP F 130      36.412  48.219  24.475  1.00 22.90           N  
-ATOM   6567  CA  TRP F 130      35.471  47.757  25.482  1.00 18.75           C  
-ATOM   6568  C   TRP F 130      34.802  48.935  26.169  1.00 18.02           C  
-ATOM   6569  O   TRP F 130      33.622  48.886  26.474  1.00 20.38           O  
-ATOM   6570  CB  TRP F 130      36.177  46.850  26.473  1.00 16.27           C  
-ATOM   6571  CG  TRP F 130      36.475  45.550  25.828  1.00 22.98           C  
-ATOM   6572  CD1 TRP F 130      37.514  45.266  24.998  1.00 24.18           C  
-ATOM   6573  CD2 TRP F 130      35.645  44.382  25.844  1.00 22.65           C  
-ATOM   6574  NE1 TRP F 130      37.381  43.996  24.489  1.00 22.69           N  
-ATOM   6575  CE2 TRP F 130      36.242  43.433  24.995  1.00 18.23           C  
-ATOM   6576  CE3 TRP F 130      34.451  44.051  26.492  1.00 21.50           C  
-ATOM   6577  CZ2 TRP F 130      35.689  42.173  24.779  1.00 24.31           C  
-ATOM   6578  CZ3 TRP F 130      33.900  42.796  26.275  1.00 23.96           C  
-ATOM   6579  CH2 TRP F 130      34.521  41.871  25.425  1.00 20.38           C  
-ATOM   6580  N   GLN F 131      35.549  50.001  26.401  1.00 15.43           N  
-ATOM   6581  CA  GLN F 131      34.966  51.179  26.995  1.00 21.18           C  
-ATOM   6582  C   GLN F 131      33.748  51.525  26.169  1.00 26.80           C  
-ATOM   6583  O   GLN F 131      32.649  51.691  26.691  1.00 30.27           O  
-ATOM   6584  CB  GLN F 131      35.944  52.330  26.931  1.00 21.24           C  
-ATOM   6585  CG  GLN F 131      36.914  52.326  28.061  1.00 25.06           C  
-ATOM   6586  CD  GLN F 131      36.254  52.734  29.338  1.00 28.51           C  
-ATOM   6587  OE1 GLN F 131      36.927  52.919  30.348  1.00 33.93           O  
-ATOM   6588  NE2 GLN F 131      34.920  52.888  29.308  1.00 21.18           N  
-ATOM   6589  N   LYS F 132      33.961  51.620  24.863  1.00 29.23           N  
-ATOM   6590  CA  LYS F 132      32.895  51.951  23.934  1.00 28.60           C  
-ATOM   6591  C   LYS F 132      31.740  50.974  24.088  1.00 26.17           C  
-ATOM   6592  O   LYS F 132      30.596  51.386  24.301  1.00 26.01           O  
-ATOM   6593  CB  LYS F 132      33.434  51.915  22.506  1.00 33.69           C  
-ATOM   6594  CG  LYS F 132      32.458  52.357  21.434  1.00 34.84           C  
-ATOM   6595  CD  LYS F 132      33.138  52.347  20.080  1.00 38.68           C  
-ATOM   6596  CE  LYS F 132      32.212  52.820  18.968  1.00 42.42           C  
-ATOM   6597  NZ  LYS F 132      32.913  52.849  17.645  1.00 39.40           N  
-ATOM   6598  N   LEU F 133      32.036  49.684  23.980  1.00 22.90           N  
-ATOM   6599  CA  LEU F 133      31.000  48.661  24.116  1.00 22.40           C  
-ATOM   6600  C   LEU F 133      30.206  48.900  25.399  1.00 22.83           C  
-ATOM   6601  O   LEU F 133      28.998  49.115  25.370  1.00 26.96           O  
-ATOM   6602  CB  LEU F 133      31.641  47.272  24.137  1.00 20.29           C  
-ATOM   6603  CG  LEU F 133      30.778  46.009  24.258  1.00 17.03           C  
-ATOM   6604  CD1 LEU F 133      29.870  45.831  23.054  1.00 15.88           C  
-ATOM   6605  CD2 LEU F 133      31.700  44.815  24.373  1.00 10.39           C  
-ATOM   6606  N   VAL F 134      30.903  48.879  26.524  1.00 24.25           N  
-ATOM   6607  CA  VAL F 134      30.300  49.096  27.835  1.00 23.53           C  
-ATOM   6608  C   VAL F 134      29.345  50.303  27.881  1.00 25.57           C  
-ATOM   6609  O   VAL F 134      28.263  50.226  28.471  1.00 29.26           O  
-ATOM   6610  CB  VAL F 134      31.427  49.250  28.891  1.00 17.86           C  
-ATOM   6611  CG1 VAL F 134      31.079  50.306  29.908  1.00 18.78           C  
-ATOM   6612  CG2 VAL F 134      31.671  47.921  29.557  1.00 13.16           C  
-ATOM   6613  N   ARG F 135      29.742  51.411  27.261  1.00 25.93           N  
-ATOM   6614  CA  ARG F 135      28.911  52.611  27.245  1.00 25.60           C  
-ATOM   6615  C   ARG F 135      27.727  52.451  26.321  1.00 28.13           C  
-ATOM   6616  O   ARG F 135      26.616  52.795  26.688  1.00 34.84           O  
-ATOM   6617  CB  ARG F 135      29.710  53.830  26.808  1.00 28.54           C  
-ATOM   6618  CG  ARG F 135      30.627  54.421  27.872  1.00 39.97           C  
-ATOM   6619  CD  ARG F 135      31.687  55.316  27.218  1.00 52.16           C  
-ATOM   6620  NE  ARG F 135      31.097  56.290  26.291  1.00 58.28           N  
-ATOM   6621  CZ  ARG F 135      31.593  56.584  25.088  1.00 57.05           C  
-ATOM   6622  NH1 ARG F 135      32.698  55.985  24.646  1.00 53.93           N  
-ATOM   6623  NH2 ARG F 135      30.977  57.473  24.319  1.00 54.23           N  
-ATOM   6624  N   VAL F 136      27.949  51.937  25.118  1.00 27.69           N  
-ATOM   6625  CA  VAL F 136      26.836  51.753  24.186  1.00 23.52           C  
-ATOM   6626  C   VAL F 136      25.814  50.768  24.760  1.00 19.61           C  
-ATOM   6627  O   VAL F 136      24.652  50.762  24.364  1.00 21.57           O  
-ATOM   6628  CB  VAL F 136      27.299  51.220  22.813  1.00 18.35           C  
-ATOM   6629  CG1 VAL F 136      27.365  49.732  22.844  1.00 18.11           C  
-ATOM   6630  CG2 VAL F 136      26.341  51.652  21.741  1.00 15.37           C  
-ATOM   6631  N   VAL F 137      26.247  49.922  25.683  1.00 19.52           N  
-ATOM   6632  CA  VAL F 137      25.311  48.981  26.277  1.00 21.27           C  
-ATOM   6633  C   VAL F 137      24.493  49.748  27.306  1.00 21.88           C  
-ATOM   6634  O   VAL F 137      23.270  49.703  27.278  1.00 23.37           O  
-ATOM   6635  CB  VAL F 137      26.011  47.799  26.992  1.00 18.06           C  
-ATOM   6636  CG1 VAL F 137      24.978  46.758  27.396  1.00  9.60           C  
-ATOM   6637  CG2 VAL F 137      27.032  47.171  26.091  1.00 14.02           C  
-ATOM   6638  N   ALA F 138      25.172  50.462  28.201  1.00 20.64           N  
-ATOM   6639  CA  ALA F 138      24.488  51.235  29.235  1.00 22.08           C  
-ATOM   6640  C   ALA F 138      23.508  52.243  28.644  1.00 26.23           C  
-ATOM   6641  O   ALA F 138      22.472  52.519  29.232  1.00 31.35           O  
-ATOM   6642  CB  ALA F 138      25.502  51.952  30.110  1.00 14.40           C  
-ATOM   6643  N   HIS F 139      23.842  52.798  27.483  1.00 32.78           N  
-ATOM   6644  CA  HIS F 139      22.983  53.773  26.807  1.00 31.89           C  
-ATOM   6645  C   HIS F 139      21.740  53.055  26.307  1.00 27.50           C  
-ATOM   6646  O   HIS F 139      20.697  53.671  26.134  1.00 31.38           O  
-ATOM   6647  CB  HIS F 139      23.713  54.402  25.613  1.00 40.69           C  
-ATOM   6648  CG  HIS F 139      22.985  55.555  24.985  1.00 54.81           C  
-ATOM   6649  ND1 HIS F 139      23.059  56.842  25.477  1.00 61.99           N  
-ATOM   6650  CD2 HIS F 139      22.168  55.616  23.904  1.00 60.02           C  
-ATOM   6651  CE1 HIS F 139      22.322  57.646  24.727  1.00 61.52           C  
-ATOM   6652  NE2 HIS F 139      21.770  56.927  23.766  1.00 63.00           N  
-ATOM   6653  N   ALA F 140      21.868  51.754  26.058  1.00 20.92           N  
-ATOM   6654  CA  ALA F 140      20.754  50.944  25.586  1.00 20.35           C  
-ATOM   6655  C   ALA F 140      19.852  50.599  26.765  1.00 23.65           C  
-ATOM   6656  O   ALA F 140      18.633  50.515  26.622  1.00 20.91           O  
-ATOM   6657  CB  ALA F 140      21.267  49.668  24.927  1.00 15.28           C  
-ATOM   6658  N   LEU F 141      20.460  50.392  27.931  1.00 28.81           N  
-ATOM   6659  CA  LEU F 141      19.708  50.079  29.139  1.00 33.02           C  
-ATOM   6660  C   LEU F 141      19.006  51.328  29.638  1.00 35.66           C  
-ATOM   6661  O   LEU F 141      17.819  51.284  29.977  1.00 34.58           O  
-ATOM   6662  CB  LEU F 141      20.626  49.558  30.241  1.00 33.47           C  
-ATOM   6663  CG  LEU F 141      21.084  48.106  30.177  1.00 33.94           C  
-ATOM   6664  CD1 LEU F 141      21.738  47.752  31.500  1.00 32.16           C  
-ATOM   6665  CD2 LEU F 141      19.897  47.188  29.922  1.00 35.56           C  
-ATOM   6666  N   ALA F 142      19.753  52.432  29.705  1.00 38.92           N  
-ATOM   6667  CA  ALA F 142      19.194  53.707  30.141  1.00 43.50           C  
-ATOM   6668  C   ALA F 142      18.025  53.943  29.210  1.00 46.51           C  
-ATOM   6669  O   ALA F 142      16.943  53.428  29.461  1.00 50.71           O  
-ATOM   6670  CB  ALA F 142      20.216  54.830  30.003  1.00 41.48           C  
-ATOM   6671  N   ARG F 143      18.262  54.695  28.137  1.00 47.39           N  
-ATOM   6672  CA  ARG F 143      17.261  55.008  27.110  1.00 51.14           C  
-ATOM   6673  C   ARG F 143      15.798  54.890  27.555  1.00 54.59           C  
-ATOM   6674  O   ARG F 143      15.028  55.843  27.406  1.00 52.65           O  
-ATOM   6675  CB  ARG F 143      17.539  54.145  25.861  1.00 49.47           C  
-ATOM   6676  CG  ARG F 143      16.455  53.183  25.437  1.00 51.46           C  
-ATOM   6677  CD  ARG F 143      15.443  53.856  24.533  1.00 61.29           C  
-ATOM   6678  NE  ARG F 143      14.464  52.901  24.007  1.00 71.18           N  
-ATOM   6679  CZ  ARG F 143      14.763  51.869  23.216  1.00 71.10           C  
-ATOM   6680  NH1 ARG F 143      16.020  51.647  22.852  1.00 69.58           N  
-ATOM   6681  NH2 ARG F 143      13.803  51.055  22.788  1.00 71.75           N  
-ATOM   6682  N   LYS F 144      15.429  53.724  28.091  1.00 59.34           N  
-ATOM   6683  CA  LYS F 144      14.078  53.436  28.597  1.00 62.93           C  
-ATOM   6684  C   LYS F 144      13.519  54.515  29.561  1.00 63.67           C  
-ATOM   6685  O   LYS F 144      12.338  54.475  29.933  1.00 64.84           O  
-ATOM   6686  CB  LYS F 144      14.074  52.071  29.312  1.00 61.98           C  
-ATOM   6687  CG  LYS F 144      12.941  51.103  28.909  1.00 62.39           C  
-ATOM   6688  CD  LYS F 144      11.535  51.705  29.016  1.00 55.14           C  
-ATOM   6689  CE  LYS F 144      11.166  52.483  27.758  1.00 55.34           C  
-ATOM   6690  NZ  LYS F 144       9.837  53.141  27.857  1.00 55.17           N  
-ATOM   6691  N   TYR F 145      14.365  55.464  29.968  1.00 63.15           N  
-ATOM   6692  CA  TYR F 145      13.958  56.548  30.869  1.00 59.64           C  
-ATOM   6693  C   TYR F 145      13.698  57.796  30.027  1.00 59.17           C  
-ATOM   6694  O   TYR F 145      13.236  58.823  30.533  1.00 54.71           O  
-ATOM   6695  CB  TYR F 145      15.067  56.855  31.889  1.00 56.83           C  
-ATOM   6696  CG  TYR F 145      15.640  55.641  32.589  1.00 46.98           C  
-ATOM   6697  CD1 TYR F 145      15.453  55.436  33.950  1.00 44.64           C  
-ATOM   6698  CD2 TYR F 145      16.382  54.712  31.885  1.00 42.32           C  
-ATOM   6699  CE1 TYR F 145      16.001  54.333  34.580  1.00 48.79           C  
-ATOM   6700  CE2 TYR F 145      16.928  53.614  32.497  1.00 44.63           C  
-ATOM   6701  CZ  TYR F 145      16.742  53.422  33.841  1.00 49.44           C  
-ATOM   6702  OH  TYR F 145      17.309  52.318  34.437  1.00 57.15           O  
-ATOM   6703  N   HIS F 146      14.021  57.688  28.739  1.00 61.65           N  
-ATOM   6704  CA  HIS F 146      13.842  58.767  27.769  1.00 65.60           C  
-ATOM   6705  C   HIS F 146      13.504  58.207  26.385  1.00 70.10           C  
-ATOM   6706  O   HIS F 146      12.343  58.406  25.950  1.00 71.18           O  
-ATOM   6707  CB  HIS F 146      15.114  59.621  27.681  1.00 61.89           C  
-ATOM   6708  CG  HIS F 146      15.047  60.883  28.481  1.00 59.14           C  
-ATOM   6709  ND1 HIS F 146      16.171  61.581  28.868  1.00 57.38           N  
-ATOM   6710  CD2 HIS F 146      13.988  61.574  28.968  1.00 57.21           C  
-ATOM   6711  CE1 HIS F 146      15.808  62.644  29.563  1.00 54.09           C  
-ATOM   6712  NE2 HIS F 146      14.489  62.663  29.638  1.00 53.61           N  
-ATOM   6713  OXT HIS F 146      14.399  57.577  25.760  1.00 72.03           O  
-TER    6714      HIS F 146                                                      
-ATOM   6715  N   VAL G   1      34.503  71.740  52.772  1.00 55.91           N  
-ATOM   6716  CA  VAL G   1      35.079  72.301  54.036  1.00 52.84           C  
-ATOM   6717  C   VAL G   1      34.306  73.546  54.459  1.00 50.72           C  
-ATOM   6718  O   VAL G   1      34.013  73.732  55.645  1.00 50.17           O  
-ATOM   6719  CB  VAL G   1      36.574  72.714  53.864  1.00 55.28           C  
-ATOM   6720  CG1 VAL G   1      37.357  71.605  53.161  1.00 53.86           C  
-ATOM   6721  CG2 VAL G   1      36.676  74.020  53.081  1.00 53.82           C  
-ATOM   6722  N   LEU G   2      34.000  74.385  53.463  1.00 45.61           N  
-ATOM   6723  CA  LEU G   2      33.269  75.638  53.623  1.00 35.64           C  
-ATOM   6724  C   LEU G   2      34.089  76.768  54.228  1.00 32.47           C  
-ATOM   6725  O   LEU G   2      34.491  76.717  55.391  1.00 26.02           O  
-ATOM   6726  CB  LEU G   2      31.992  75.424  54.444  1.00 34.24           C  
-ATOM   6727  CG  LEU G   2      30.909  74.597  53.744  1.00 33.19           C  
-ATOM   6728  CD1 LEU G   2      29.591  74.768  54.489  1.00 34.32           C  
-ATOM   6729  CD2 LEU G   2      30.756  75.056  52.293  1.00 33.38           C  
-ATOM   6730  N   SER G   3      34.325  77.796  53.416  1.00 31.47           N  
-ATOM   6731  CA  SER G   3      35.083  78.971  53.833  1.00 28.94           C  
-ATOM   6732  C   SER G   3      34.301  79.781  54.865  1.00 29.75           C  
-ATOM   6733  O   SER G   3      33.222  79.379  55.319  1.00 29.33           O  
-ATOM   6734  CB  SER G   3      35.378  79.863  52.624  1.00 25.10           C  
-ATOM   6735  OG  SER G   3      34.185  80.451  52.138  1.00 21.76           O  
-ATOM   6736  N   ALA G   4      34.855  80.927  55.237  1.00 28.47           N  
-ATOM   6737  CA  ALA G   4      34.198  81.802  56.195  1.00 28.75           C  
-ATOM   6738  C   ALA G   4      32.981  82.433  55.516  1.00 27.81           C  
-ATOM   6739  O   ALA G   4      31.875  82.441  56.067  1.00 28.45           O  
-ATOM   6740  CB  ALA G   4      35.157  82.877  56.644  1.00 29.79           C  
-ATOM   6741  N   ALA G   5      33.210  82.949  54.309  1.00 22.58           N  
-ATOM   6742  CA  ALA G   5      32.180  83.586  53.492  1.00 22.10           C  
-ATOM   6743  C   ALA G   5      31.029  82.633  53.212  1.00 24.95           C  
-ATOM   6744  O   ALA G   5      29.852  82.973  53.384  1.00 29.65           O  
-ATOM   6745  CB  ALA G   5      32.782  84.031  52.194  1.00 18.94           C  
-ATOM   6746  N   ASP G   6      31.380  81.444  52.742  1.00 22.65           N  
-ATOM   6747  CA  ASP G   6      30.392  80.433  52.460  1.00 22.96           C  
-ATOM   6748  C   ASP G   6      29.514  80.227  53.698  1.00 24.67           C  
-ATOM   6749  O   ASP G   6      28.286  80.178  53.586  1.00 21.82           O  
-ATOM   6750  CB  ASP G   6      31.100  79.133  52.076  1.00 21.47           C  
-ATOM   6751  CG  ASP G   6      31.697  79.187  50.681  1.00 20.77           C  
-ATOM   6752  OD1 ASP G   6      32.672  78.451  50.422  1.00 25.48           O  
-ATOM   6753  OD2 ASP G   6      31.185  79.947  49.836  1.00 22.56           O  
-ATOM   6754  N   LYS G   7      30.151  80.123  54.869  1.00 26.83           N  
-ATOM   6755  CA  LYS G   7      29.430  79.916  56.123  1.00 29.80           C  
-ATOM   6756  C   LYS G   7      28.489  81.078  56.393  1.00 31.26           C  
-ATOM   6757  O   LYS G   7      27.329  80.898  56.789  1.00 29.92           O  
-ATOM   6758  CB  LYS G   7      30.393  79.792  57.313  1.00 32.59           C  
-ATOM   6759  CG  LYS G   7      31.283  78.551  57.354  1.00 32.08           C  
-ATOM   6760  CD  LYS G   7      31.816  78.350  58.782  1.00 32.19           C  
-ATOM   6761  CE  LYS G   7      33.001  77.381  58.857  1.00 31.19           C  
-ATOM   6762  NZ  LYS G   7      34.225  77.980  58.235  1.00 38.07           N  
-ATOM   6763  N   THR G   8      29.006  82.279  56.185  1.00 32.55           N  
-ATOM   6764  CA  THR G   8      28.241  83.491  56.413  1.00 31.12           C  
-ATOM   6765  C   THR G   8      27.021  83.561  55.519  1.00 28.60           C  
-ATOM   6766  O   THR G   8      25.923  83.885  55.975  1.00 29.41           O  
-ATOM   6767  CB  THR G   8      29.108  84.726  56.175  1.00 31.80           C  
-ATOM   6768  OG1 THR G   8      30.195  84.718  57.109  1.00 28.52           O  
-ATOM   6769  CG2 THR G   8      28.284  85.997  56.350  1.00 32.53           C  
-ATOM   6770  N   ASN G   9      27.216  83.268  54.242  1.00 26.14           N  
-ATOM   6771  CA  ASN G   9      26.111  83.297  53.307  1.00 27.23           C  
-ATOM   6772  C   ASN G   9      25.077  82.253  53.666  1.00 25.19           C  
-ATOM   6773  O   ASN G   9      23.883  82.544  53.686  1.00 27.92           O  
-ATOM   6774  CB  ASN G   9      26.607  83.060  51.890  1.00 26.65           C  
-ATOM   6775  CG  ASN G   9      27.479  84.171  51.407  1.00 30.15           C  
-ATOM   6776  OD1 ASN G   9      27.760  84.274  50.219  1.00 39.32           O  
-ATOM   6777  ND2 ASN G   9      27.920  85.021  52.327  1.00 34.42           N  
-ATOM   6778  N   VAL G  10      25.532  81.038  53.947  1.00 20.51           N  
-ATOM   6779  CA  VAL G  10      24.618  79.968  54.313  1.00 21.47           C  
-ATOM   6780  C   VAL G  10      23.783  80.422  55.500  1.00 22.39           C  
-ATOM   6781  O   VAL G  10      22.553  80.358  55.468  1.00 23.28           O  
-ATOM   6782  CB  VAL G  10      25.384  78.673  54.679  1.00 24.28           C  
-ATOM   6783  CG1 VAL G  10      24.418  77.628  55.238  1.00 18.97           C  
-ATOM   6784  CG2 VAL G  10      26.114  78.134  53.440  1.00 16.54           C  
-ATOM   6785  N   LYS G  11      24.449  80.895  56.546  1.00 22.12           N  
-ATOM   6786  CA  LYS G  11      23.734  81.369  57.720  1.00 24.53           C  
-ATOM   6787  C   LYS G  11      22.712  82.435  57.344  1.00 25.02           C  
-ATOM   6788  O   LYS G  11      21.575  82.397  57.804  1.00 29.61           O  
-ATOM   6789  CB  LYS G  11      24.718  81.933  58.741  1.00 27.25           C  
-ATOM   6790  CG  LYS G  11      25.302  80.902  59.680  1.00 32.40           C  
-ATOM   6791  CD  LYS G  11      26.416  81.513  60.501  1.00 37.87           C  
-ATOM   6792  CE  LYS G  11      26.859  80.568  61.604  1.00 46.07           C  
-ATOM   6793  NZ  LYS G  11      25.729  80.248  62.531  1.00 45.11           N  
-ATOM   6794  N   GLY G  12      23.124  83.382  56.504  1.00 29.50           N  
-ATOM   6795  CA  GLY G  12      22.242  84.455  56.077  1.00 24.16           C  
-ATOM   6796  C   GLY G  12      20.917  83.987  55.504  1.00 21.84           C  
-ATOM   6797  O   GLY G  12      19.866  84.271  56.067  1.00 24.82           O  
-ATOM   6798  N   VAL G  13      20.968  83.261  54.390  1.00 20.24           N  
-ATOM   6799  CA  VAL G  13      19.766  82.781  53.720  1.00 14.58           C  
-ATOM   6800  C   VAL G  13      18.939  81.864  54.585  1.00 17.88           C  
-ATOM   6801  O   VAL G  13      17.755  81.669  54.332  1.00 23.45           O  
-ATOM   6802  CB  VAL G  13      20.111  82.066  52.399  1.00 13.11           C  
-ATOM   6803  CG1 VAL G  13      21.048  80.894  52.652  1.00 10.03           C  
-ATOM   6804  CG2 VAL G  13      18.846  81.621  51.715  1.00  8.20           C  
-ATOM   6805  N   PHE G  14      19.554  81.290  55.607  1.00 20.28           N  
-ATOM   6806  CA  PHE G  14      18.808  80.418  56.495  1.00 20.13           C  
-ATOM   6807  C   PHE G  14      18.087  81.272  57.523  1.00 20.72           C  
-ATOM   6808  O   PHE G  14      17.087  80.844  58.096  1.00 23.74           O  
-ATOM   6809  CB  PHE G  14      19.737  79.404  57.169  1.00 18.17           C  
-ATOM   6810  CG  PHE G  14      19.725  78.062  56.510  1.00 16.92           C  
-ATOM   6811  CD1 PHE G  14      18.746  77.126  56.836  1.00 15.01           C  
-ATOM   6812  CD2 PHE G  14      20.637  77.764  55.495  1.00 16.67           C  
-ATOM   6813  CE1 PHE G  14      18.670  75.917  56.155  1.00 20.21           C  
-ATOM   6814  CE2 PHE G  14      20.574  76.554  54.800  1.00 13.58           C  
-ATOM   6815  CZ  PHE G  14      19.589  75.630  55.127  1.00 21.58           C  
-ATOM   6816  N   SER G  15      18.589  82.484  57.743  1.00 15.82           N  
-ATOM   6817  CA  SER G  15      17.961  83.390  58.690  1.00 16.07           C  
-ATOM   6818  C   SER G  15      16.633  83.846  58.106  1.00 16.02           C  
-ATOM   6819  O   SER G  15      15.664  84.049  58.843  1.00 12.84           O  
-ATOM   6820  CB  SER G  15      18.844  84.619  58.967  1.00 21.00           C  
-ATOM   6821  OG  SER G  15      18.857  85.545  57.885  1.00 21.86           O  
-ATOM   6822  N   LYS G  16      16.596  84.006  56.781  1.00 14.11           N  
-ATOM   6823  CA  LYS G  16      15.383  84.438  56.090  1.00 15.43           C  
-ATOM   6824  C   LYS G  16      14.322  83.357  55.979  1.00 19.74           C  
-ATOM   6825  O   LYS G  16      13.133  83.664  55.956  1.00 25.95           O  
-ATOM   6826  CB  LYS G  16      15.684  84.939  54.681  1.00 10.30           C  
-ATOM   6827  CG  LYS G  16      16.186  86.365  54.583  1.00  7.00           C  
-ATOM   6828  CD  LYS G  16      17.682  86.418  54.628  1.00  4.91           C  
-ATOM   6829  CE  LYS G  16      18.188  87.688  54.016  1.00  3.57           C  
-ATOM   6830  NZ  LYS G  16      19.653  87.667  53.958  1.00  7.31           N  
-ATOM   6831  N   ILE G  17      14.730  82.097  55.900  1.00 19.94           N  
-ATOM   6832  CA  ILE G  17      13.739  81.046  55.785  1.00 23.25           C  
-ATOM   6833  C   ILE G  17      13.371  80.464  57.125  1.00 25.56           C  
-ATOM   6834  O   ILE G  17      12.340  79.806  57.234  1.00 26.14           O  
-ATOM   6835  CB  ILE G  17      14.197  79.890  54.873  1.00 23.28           C  
-ATOM   6836  CG1 ILE G  17      15.363  79.131  55.526  1.00 19.19           C  
-ATOM   6837  CG2 ILE G  17      14.564  80.442  53.498  1.00 29.62           C  
-ATOM   6838  CD1 ILE G  17      15.725  77.855  54.821  1.00  9.30           C  
-ATOM   6839  N   SER G  18      14.200  80.686  58.144  1.00 32.86           N  
-ATOM   6840  CA  SER G  18      13.884  80.153  59.475  1.00 38.95           C  
-ATOM   6841  C   SER G  18      12.444  80.578  59.779  1.00 41.13           C  
-ATOM   6842  O   SER G  18      12.010  81.674  59.405  1.00 43.22           O  
-ATOM   6843  CB  SER G  18      14.841  80.697  60.556  1.00 37.77           C  
-ATOM   6844  OG  SER G  18      14.572  82.053  60.888  1.00 29.49           O  
-ATOM   6845  N   GLY G  19      11.693  79.710  60.438  1.00 39.24           N  
-ATOM   6846  CA  GLY G  19      10.317  80.049  60.725  1.00 35.87           C  
-ATOM   6847  C   GLY G  19       9.450  79.635  59.557  1.00 33.88           C  
-ATOM   6848  O   GLY G  19       8.384  80.192  59.336  1.00 31.71           O  
-ATOM   6849  N   HIS G  20       9.910  78.647  58.800  1.00 36.29           N  
-ATOM   6850  CA  HIS G  20       9.151  78.160  57.659  1.00 38.24           C  
-ATOM   6851  C   HIS G  20       9.466  76.705  57.367  1.00 36.54           C  
-ATOM   6852  O   HIS G  20       8.994  76.146  56.376  1.00 36.43           O  
-ATOM   6853  CB  HIS G  20       9.440  79.015  56.434  1.00 39.91           C  
-ATOM   6854  CG  HIS G  20       8.823  80.375  56.493  1.00 39.76           C  
-ATOM   6855  ND1 HIS G  20       7.460  80.572  56.445  1.00 38.87           N  
-ATOM   6856  CD2 HIS G  20       9.383  81.605  56.603  1.00 41.03           C  
-ATOM   6857  CE1 HIS G  20       7.206  81.868  56.521  1.00 43.25           C  
-ATOM   6858  NE2 HIS G  20       8.355  82.516  56.618  1.00 41.78           N  
-ATOM   6859  N   ALA G  21      10.259  76.096  58.241  1.00 34.07           N  
-ATOM   6860  CA  ALA G  21      10.630  74.701  58.080  1.00 29.69           C  
-ATOM   6861  C   ALA G  21       9.398  73.924  57.631  1.00 29.12           C  
-ATOM   6862  O   ALA G  21       9.355  73.391  56.527  1.00 32.31           O  
-ATOM   6863  CB  ALA G  21      11.166  74.141  59.396  1.00 22.75           C  
-ATOM   6864  N   GLU G  22       8.388  73.885  58.485  1.00 30.80           N  
-ATOM   6865  CA  GLU G  22       7.156  73.169  58.188  1.00 31.92           C  
-ATOM   6866  C   GLU G  22       6.700  73.392  56.747  1.00 27.84           C  
-ATOM   6867  O   GLU G  22       6.571  72.452  55.978  1.00 24.84           O  
-ATOM   6868  CB  GLU G  22       6.074  73.624  59.177  1.00 38.63           C  
-ATOM   6869  CG  GLU G  22       4.632  73.239  58.844  1.00 43.81           C  
-ATOM   6870  CD  GLU G  22       4.293  71.830  59.236  1.00 45.05           C  
-ATOM   6871  OE1 GLU G  22       4.718  71.416  60.334  1.00 51.25           O  
-ATOM   6872  OE2 GLU G  22       3.592  71.143  58.461  1.00 46.80           O  
-ATOM   6873  N   GLU G  23       6.480  74.647  56.382  1.00 30.41           N  
-ATOM   6874  CA  GLU G  23       6.000  74.988  55.048  1.00 34.90           C  
-ATOM   6875  C   GLU G  23       6.935  74.664  53.871  1.00 32.31           C  
-ATOM   6876  O   GLU G  23       6.521  74.012  52.909  1.00 29.04           O  
-ATOM   6877  CB  GLU G  23       5.619  76.471  55.010  1.00 40.40           C  
-ATOM   6878  CG  GLU G  23       5.047  76.917  53.673  1.00 46.65           C  
-ATOM   6879  CD  GLU G  23       4.746  78.397  53.631  1.00 50.89           C  
-ATOM   6880  OE1 GLU G  23       4.464  78.905  52.522  1.00 52.25           O  
-ATOM   6881  OE2 GLU G  23       4.790  79.045  54.704  1.00 56.26           O  
-ATOM   6882  N   TYR G  24       8.180  75.131  53.942  1.00 29.12           N  
-ATOM   6883  CA  TYR G  24       9.165  74.891  52.885  1.00 26.07           C  
-ATOM   6884  C   TYR G  24       9.552  73.423  52.732  1.00 26.75           C  
-ATOM   6885  O   TYR G  24       9.564  72.897  51.615  1.00 29.77           O  
-ATOM   6886  CB  TYR G  24      10.407  75.741  53.144  1.00 24.92           C  
-ATOM   6887  CG  TYR G  24      10.099  77.222  53.114  1.00 25.08           C  
-ATOM   6888  CD1 TYR G  24      11.066  78.174  53.442  1.00 18.77           C  
-ATOM   6889  CD2 TYR G  24       8.820  77.672  52.758  1.00 25.04           C  
-ATOM   6890  CE1 TYR G  24      10.760  79.531  53.415  1.00 15.88           C  
-ATOM   6891  CE2 TYR G  24       8.511  79.019  52.731  1.00 14.45           C  
-ATOM   6892  CZ  TYR G  24       9.473  79.937  53.057  1.00 14.10           C  
-ATOM   6893  OH  TYR G  24       9.137  81.264  53.003  1.00 20.56           O  
-ATOM   6894  N   GLY G  25       9.865  72.767  53.848  1.00 22.00           N  
-ATOM   6895  CA  GLY G  25      10.222  71.364  53.802  1.00 17.87           C  
-ATOM   6896  C   GLY G  25       9.167  70.565  53.065  1.00 17.74           C  
-ATOM   6897  O   GLY G  25       9.477  69.735  52.218  1.00 20.04           O  
-ATOM   6898  N   ALA G  26       7.905  70.821  53.381  1.00 17.51           N  
-ATOM   6899  CA  ALA G  26       6.807  70.114  52.732  1.00 14.96           C  
-ATOM   6900  C   ALA G  26       6.800  70.402  51.230  1.00 14.92           C  
-ATOM   6901  O   ALA G  26       6.494  69.529  50.423  1.00 13.76           O  
-ATOM   6902  CB  ALA G  26       5.490  70.535  53.348  1.00  8.88           C  
-ATOM   6903  N   GLU G  27       7.153  71.630  50.862  1.00 14.61           N  
-ATOM   6904  CA  GLU G  27       7.165  72.028  49.469  1.00 13.65           C  
-ATOM   6905  C   GLU G  27       8.307  71.421  48.662  1.00 15.26           C  
-ATOM   6906  O   GLU G  27       8.108  70.990  47.523  1.00  8.88           O  
-ATOM   6907  CB  GLU G  27       7.240  73.547  49.363  1.00 20.17           C  
-ATOM   6908  CG  GLU G  27       6.416  74.100  48.201  1.00 28.39           C  
-ATOM   6909  CD  GLU G  27       6.902  75.448  47.685  1.00 22.86           C  
-ATOM   6910  OE1 GLU G  27       6.995  76.422  48.462  1.00 23.82           O  
-ATOM   6911  OE2 GLU G  27       7.186  75.526  46.484  1.00 22.37           O  
-ATOM   6912  N   THR G  28       9.503  71.384  49.244  1.00 12.68           N  
-ATOM   6913  CA  THR G  28      10.623  70.842  48.512  1.00 12.76           C  
-ATOM   6914  C   THR G  28      10.382  69.355  48.280  1.00 11.35           C  
-ATOM   6915  O   THR G  28      10.696  68.823  47.209  1.00  6.15           O  
-ATOM   6916  CB  THR G  28      11.972  71.044  49.265  1.00 13.32           C  
-ATOM   6917  OG1 THR G  28      12.257  69.881  50.028  1.00 17.60           O  
-ATOM   6918  CG2 THR G  28      11.917  72.224  50.208  1.00 10.50           C  
-ATOM   6919  N   LEU G  29       9.814  68.691  49.286  1.00 15.62           N  
-ATOM   6920  CA  LEU G  29       9.541  67.259  49.199  1.00 15.63           C  
-ATOM   6921  C   LEU G  29       8.574  66.955  48.093  1.00 13.08           C  
-ATOM   6922  O   LEU G  29       8.798  66.044  47.300  1.00 13.02           O  
-ATOM   6923  CB  LEU G  29       8.970  66.715  50.509  1.00 17.08           C  
-ATOM   6924  CG  LEU G  29       9.985  66.427  51.620  1.00 21.95           C  
-ATOM   6925  CD1 LEU G  29       9.260  65.813  52.819  1.00 16.01           C  
-ATOM   6926  CD2 LEU G  29      11.078  65.489  51.105  1.00 11.13           C  
-ATOM   6927  N   GLU G  30       7.496  67.724  48.047  1.00 12.83           N  
-ATOM   6928  CA  GLU G  30       6.468  67.537  47.040  1.00 13.09           C  
-ATOM   6929  C   GLU G  30       6.958  67.837  45.627  1.00 11.86           C  
-ATOM   6930  O   GLU G  30       6.484  67.243  44.659  1.00  7.41           O  
-ATOM   6931  CB  GLU G  30       5.270  68.402  47.369  1.00 18.62           C  
-ATOM   6932  CG  GLU G  30       4.006  67.959  46.674  1.00 29.54           C  
-ATOM   6933  CD  GLU G  30       2.865  68.898  46.950  1.00 33.57           C  
-ATOM   6934  OE1 GLU G  30       2.636  69.184  48.148  1.00 32.55           O  
-ATOM   6935  OE2 GLU G  30       2.211  69.344  45.974  1.00 34.90           O  
-ATOM   6936  N   ARG G  31       7.900  68.765  45.510  1.00 11.98           N  
-ATOM   6937  CA  ARG G  31       8.456  69.097  44.214  1.00  9.59           C  
-ATOM   6938  C   ARG G  31       9.388  67.966  43.792  1.00 15.33           C  
-ATOM   6939  O   ARG G  31       9.478  67.643  42.596  1.00 16.85           O  
-ATOM   6940  CB  ARG G  31       9.217  70.414  44.296  1.00 10.72           C  
-ATOM   6941  CG  ARG G  31       8.306  71.601  44.473  1.00 17.78           C  
-ATOM   6942  CD  ARG G  31       9.029  72.944  44.424  1.00 14.69           C  
-ATOM   6943  NE  ARG G  31       8.057  74.022  44.247  1.00 23.28           N  
-ATOM   6944  CZ  ARG G  31       7.503  74.359  43.082  1.00 24.94           C  
-ATOM   6945  NH1 ARG G  31       7.834  73.709  41.971  1.00 25.60           N  
-ATOM   6946  NH2 ARG G  31       6.595  75.330  43.029  1.00 18.73           N  
-ATOM   6947  N   MET G  32      10.069  67.361  44.774  1.00 10.54           N  
-ATOM   6948  CA  MET G  32      10.987  66.258  44.508  1.00  5.81           C  
-ATOM   6949  C   MET G  32      10.245  65.043  43.990  1.00  3.50           C  
-ATOM   6950  O   MET G  32      10.663  64.423  43.027  1.00 13.59           O  
-ATOM   6951  CB  MET G  32      11.778  65.863  45.763  1.00  5.32           C  
-ATOM   6952  CG  MET G  32      12.727  64.680  45.528  1.00  4.01           C  
-ATOM   6953  SD  MET G  32      13.864  64.368  46.899  1.00 13.18           S  
-ATOM   6954  CE  MET G  32      12.932  63.256  47.885  1.00  7.96           C  
-ATOM   6955  N   PHE G  33       9.137  64.702  44.624  1.00  4.79           N  
-ATOM   6956  CA  PHE G  33       8.378  63.545  44.202  1.00  6.89           C  
-ATOM   6957  C   PHE G  33       7.721  63.790  42.878  1.00  8.38           C  
-ATOM   6958  O   PHE G  33       7.487  62.855  42.118  1.00 11.17           O  
-ATOM   6959  CB  PHE G  33       7.299  63.188  45.227  1.00  8.26           C  
-ATOM   6960  CG  PHE G  33       7.840  62.777  46.567  1.00 12.75           C  
-ATOM   6961  CD1 PHE G  33       8.902  61.882  46.665  1.00 12.55           C  
-ATOM   6962  CD2 PHE G  33       7.277  63.272  47.735  1.00 14.56           C  
-ATOM   6963  CE1 PHE G  33       9.398  61.485  47.904  1.00 16.23           C  
-ATOM   6964  CE2 PHE G  33       7.764  62.880  48.984  1.00 21.88           C  
-ATOM   6965  CZ  PHE G  33       8.830  61.982  49.069  1.00 12.81           C  
-ATOM   6966  N   THR G  34       7.432  65.055  42.601  1.00 13.29           N  
-ATOM   6967  CA  THR G  34       6.760  65.436  41.367  1.00 17.68           C  
-ATOM   6968  C   THR G  34       7.658  65.526  40.150  1.00 19.46           C  
-ATOM   6969  O   THR G  34       7.230  65.187  39.049  1.00 21.59           O  
-ATOM   6970  CB  THR G  34       6.023  66.777  41.543  1.00 20.59           C  
-ATOM   6971  OG1 THR G  34       5.022  66.633  42.562  1.00 20.35           O  
-ATOM   6972  CG2 THR G  34       5.358  67.200  40.244  1.00 18.11           C  
-ATOM   6973  N   ALA G  35       8.894  65.975  40.344  1.00 20.92           N  
-ATOM   6974  CA  ALA G  35       9.840  66.115  39.241  1.00 22.72           C  
-ATOM   6975  C   ALA G  35      10.839  64.949  39.128  1.00 24.10           C  
-ATOM   6976  O   ALA G  35      11.409  64.706  38.062  1.00 26.82           O  
-ATOM   6977  CB  ALA G  35      10.576  67.425  39.387  1.00 21.22           C  
-ATOM   6978  N   TYR G  36      11.059  64.249  40.237  1.00 22.45           N  
-ATOM   6979  CA  TYR G  36      11.959  63.106  40.279  1.00 20.96           C  
-ATOM   6980  C   TYR G  36      11.178  61.966  40.919  1.00 23.92           C  
-ATOM   6981  O   TYR G  36      11.558  61.453  41.971  1.00 32.18           O  
-ATOM   6982  CB  TYR G  36      13.181  63.427  41.120  1.00 13.39           C  
-ATOM   6983  CG  TYR G  36      13.985  64.558  40.564  1.00 20.32           C  
-ATOM   6984  CD1 TYR G  36      13.987  65.799  41.183  1.00 23.77           C  
-ATOM   6985  CD2 TYR G  36      14.709  64.408  39.387  1.00 16.15           C  
-ATOM   6986  CE1 TYR G  36      14.694  66.879  40.636  1.00 27.22           C  
-ATOM   6987  CE2 TYR G  36      15.411  65.469  38.836  1.00 25.26           C  
-ATOM   6988  CZ  TYR G  36      15.403  66.709  39.462  1.00 26.56           C  
-ATOM   6989  OH  TYR G  36      16.105  67.774  38.917  1.00 28.87           O  
-ATOM   6990  N   PRO G  37      10.072  61.551  40.282  1.00 19.78           N  
-ATOM   6991  CA  PRO G  37       9.175  60.475  40.731  1.00 20.85           C  
-ATOM   6992  C   PRO G  37       9.828  59.178  41.247  1.00 20.97           C  
-ATOM   6993  O   PRO G  37       9.335  58.547  42.182  1.00 21.72           O  
-ATOM   6994  CB  PRO G  37       8.294  60.236  39.504  1.00 20.28           C  
-ATOM   6995  CG  PRO G  37       9.188  60.652  38.356  1.00 21.71           C  
-ATOM   6996  CD  PRO G  37       9.790  61.912  38.882  1.00 19.33           C  
-ATOM   6997  N   GLN G  38      10.937  58.778  40.641  1.00 16.89           N  
-ATOM   6998  CA  GLN G  38      11.604  57.569  41.063  1.00 11.45           C  
-ATOM   6999  C   GLN G  38      12.066  57.661  42.521  1.00  9.19           C  
-ATOM   7000  O   GLN G  38      12.364  56.648  43.145  1.00  6.50           O  
-ATOM   7001  CB  GLN G  38      12.791  57.284  40.143  1.00 12.10           C  
-ATOM   7002  CG  GLN G  38      13.921  58.309  40.216  1.00 19.45           C  
-ATOM   7003  CD  GLN G  38      13.737  59.488  39.297  1.00 20.08           C  
-ATOM   7004  OE1 GLN G  38      14.652  60.289  39.124  1.00 24.37           O  
-ATOM   7005  NE2 GLN G  38      12.562  59.603  38.694  1.00 22.41           N  
-ATOM   7006  N   THR G  39      12.131  58.869  43.071  1.00  9.87           N  
-ATOM   7007  CA  THR G  39      12.565  59.023  44.459  1.00  9.02           C  
-ATOM   7008  C   THR G  39      11.479  58.520  45.407  1.00 12.66           C  
-ATOM   7009  O   THR G  39      11.719  58.331  46.601  1.00 13.00           O  
-ATOM   7010  CB  THR G  39      12.897  60.496  44.815  1.00  6.14           C  
-ATOM   7011  OG1 THR G  39      11.751  61.314  44.597  1.00  5.15           O  
-ATOM   7012  CG2 THR G  39      14.022  61.018  43.962  1.00 12.57           C  
-ATOM   7013  N   LYS G  40      10.282  58.299  44.867  1.00 13.37           N  
-ATOM   7014  CA  LYS G  40       9.160  57.794  45.652  1.00 14.82           C  
-ATOM   7015  C   LYS G  40       9.538  56.448  46.264  1.00 16.01           C  
-ATOM   7016  O   LYS G  40       9.214  56.148  47.408  1.00 19.52           O  
-ATOM   7017  CB  LYS G  40       7.931  57.618  44.757  1.00 14.31           C  
-ATOM   7018  CG  LYS G  40       7.240  58.907  44.362  1.00 15.07           C  
-ATOM   7019  CD  LYS G  40       6.426  58.683  43.102  1.00 21.54           C  
-ATOM   7020  CE  LYS G  40       5.523  59.854  42.804  1.00 24.39           C  
-ATOM   7021  NZ  LYS G  40       4.527  60.003  43.878  1.00 18.86           N  
-ATOM   7022  N   THR G  41      10.221  55.642  45.469  1.00 16.09           N  
-ATOM   7023  CA  THR G  41      10.693  54.326  45.860  1.00 15.13           C  
-ATOM   7024  C   THR G  41      11.150  54.196  47.316  1.00 12.78           C  
-ATOM   7025  O   THR G  41      11.085  53.111  47.910  1.00  9.66           O  
-ATOM   7026  CB  THR G  41      11.837  53.919  44.930  1.00 15.33           C  
-ATOM   7027  OG1 THR G  41      11.273  53.344  43.749  1.00 20.01           O  
-ATOM   7028  CG2 THR G  41      12.803  52.940  45.607  1.00 13.48           C  
-ATOM   7029  N   TYR G  42      11.620  55.295  47.882  1.00  5.24           N  
-ATOM   7030  CA  TYR G  42      12.101  55.268  49.241  1.00  9.43           C  
-ATOM   7031  C   TYR G  42      11.014  55.512  50.298  1.00 10.84           C  
-ATOM   7032  O   TYR G  42      11.283  55.408  51.489  1.00 10.04           O  
-ATOM   7033  CB  TYR G  42      13.227  56.290  49.409  1.00 12.56           C  
-ATOM   7034  CG  TYR G  42      14.536  55.929  48.732  1.00 17.26           C  
-ATOM   7035  CD1 TYR G  42      15.575  55.297  49.445  1.00 13.01           C  
-ATOM   7036  CD2 TYR G  42      14.757  56.257  47.393  1.00 14.46           C  
-ATOM   7037  CE1 TYR G  42      16.799  55.016  48.830  1.00 10.52           C  
-ATOM   7038  CE2 TYR G  42      15.970  55.977  46.776  1.00 11.16           C  
-ATOM   7039  CZ  TYR G  42      16.980  55.366  47.493  1.00  9.96           C  
-ATOM   7040  OH  TYR G  42      18.168  55.132  46.861  1.00  9.39           O  
-ATOM   7041  N   PHE G  43       9.798  55.839  49.881  1.00  8.38           N  
-ATOM   7042  CA  PHE G  43       8.742  56.075  50.849  1.00 12.66           C  
-ATOM   7043  C   PHE G  43       7.465  55.292  50.529  1.00 17.45           C  
-ATOM   7044  O   PHE G  43       6.396  55.871  50.376  1.00 24.47           O  
-ATOM   7045  CB  PHE G  43       8.406  57.568  50.940  1.00  7.87           C  
-ATOM   7046  CG  PHE G  43       9.590  58.448  51.181  1.00 10.30           C  
-ATOM   7047  CD1 PHE G  43      10.427  58.827  50.128  1.00 10.62           C  
-ATOM   7048  CD2 PHE G  43       9.873  58.910  52.457  1.00 10.58           C  
-ATOM   7049  CE1 PHE G  43      11.522  59.652  50.350  1.00  3.36           C  
-ATOM   7050  CE2 PHE G  43      10.975  59.738  52.687  1.00  8.89           C  
-ATOM   7051  CZ  PHE G  43      11.796  60.107  51.631  1.00  4.00           C  
-ATOM   7052  N   PRO G  44       7.552  53.961  50.449  1.00 16.53           N  
-ATOM   7053  CA  PRO G  44       6.333  53.212  50.141  1.00 16.95           C  
-ATOM   7054  C   PRO G  44       5.292  53.460  51.224  1.00 19.60           C  
-ATOM   7055  O   PRO G  44       4.095  53.477  50.979  1.00 20.40           O  
-ATOM   7056  CB  PRO G  44       6.807  51.757  50.151  1.00 17.67           C  
-ATOM   7057  CG  PRO G  44       8.300  51.850  49.958  1.00 16.47           C  
-ATOM   7058  CD  PRO G  44       8.659  53.047  50.771  1.00 15.39           C  
-ATOM   7059  N   HIS G  45       5.776  53.670  52.433  1.00 19.75           N  
-ATOM   7060  CA  HIS G  45       4.910  53.861  53.563  1.00 23.10           C  
-ATOM   7061  C   HIS G  45       4.459  55.285  53.741  1.00 29.31           C  
-ATOM   7062  O   HIS G  45       4.004  55.656  54.820  1.00 36.31           O  
-ATOM   7063  CB  HIS G  45       5.616  53.393  54.831  1.00 24.83           C  
-ATOM   7064  CG  HIS G  45       6.869  54.148  55.134  1.00 28.18           C  
-ATOM   7065  ND1 HIS G  45       7.889  54.288  54.218  1.00 33.18           N  
-ATOM   7066  CD2 HIS G  45       7.273  54.796  56.253  1.00 24.89           C  
-ATOM   7067  CE1 HIS G  45       8.869  54.989  54.760  1.00 35.13           C  
-ATOM   7068  NE2 HIS G  45       8.520  55.310  55.995  1.00 33.06           N  
-ATOM   7069  N   PHE G  46       4.567  56.101  52.708  1.00 27.75           N  
-ATOM   7070  CA  PHE G  46       4.137  57.477  52.869  1.00 25.37           C  
-ATOM   7071  C   PHE G  46       2.895  57.855  52.095  1.00 28.50           C  
-ATOM   7072  O   PHE G  46       2.638  57.352  51.000  1.00 27.78           O  
-ATOM   7073  CB  PHE G  46       5.245  58.447  52.481  1.00 26.09           C  
-ATOM   7074  CG  PHE G  46       6.075  58.912  53.626  1.00 23.99           C  
-ATOM   7075  CD1 PHE G  46       6.657  60.170  53.600  1.00 24.97           C  
-ATOM   7076  CD2 PHE G  46       6.317  58.087  54.713  1.00 26.36           C  
-ATOM   7077  CE1 PHE G  46       7.473  60.601  54.646  1.00 26.46           C  
-ATOM   7078  CE2 PHE G  46       7.132  58.508  55.760  1.00 26.82           C  
-ATOM   7079  CZ  PHE G  46       7.711  59.768  55.726  1.00 19.61           C  
-ATOM   7080  N   ASP G  47       2.141  58.768  52.700  1.00 33.28           N  
-ATOM   7081  CA  ASP G  47       0.913  59.341  52.157  1.00 34.42           C  
-ATOM   7082  C   ASP G  47       1.461  60.428  51.235  1.00 35.90           C  
-ATOM   7083  O   ASP G  47       1.835  61.508  51.698  1.00 33.21           O  
-ATOM   7084  CB  ASP G  47       0.114  59.952  53.320  1.00 39.95           C  
-ATOM   7085  CG  ASP G  47      -1.247  60.479  52.908  1.00 43.12           C  
-ATOM   7086  OD1 ASP G  47      -1.344  61.624  52.419  1.00 46.13           O  
-ATOM   7087  OD2 ASP G  47      -2.233  59.741  53.080  1.00 48.62           O  
-ATOM   7088  N   LEU G  48       1.532  60.142  49.937  1.00 36.36           N  
-ATOM   7089  CA  LEU G  48       2.097  61.109  48.994  1.00 38.16           C  
-ATOM   7090  C   LEU G  48       1.153  62.130  48.357  1.00 41.28           C  
-ATOM   7091  O   LEU G  48       1.597  62.988  47.592  1.00 39.32           O  
-ATOM   7092  CB  LEU G  48       2.883  60.364  47.910  1.00 33.78           C  
-ATOM   7093  CG  LEU G  48       4.399  60.271  48.131  1.00 30.09           C  
-ATOM   7094  CD1 LEU G  48       4.733  60.049  49.597  1.00 27.70           C  
-ATOM   7095  CD2 LEU G  48       4.958  59.152  47.275  1.00 32.34           C  
-ATOM   7096  N   GLN G  49      -0.138  62.050  48.674  1.00 46.48           N  
-ATOM   7097  CA  GLN G  49      -1.116  63.001  48.142  1.00 48.26           C  
-ATOM   7098  C   GLN G  49      -0.715  64.408  48.588  1.00 49.39           C  
-ATOM   7099  O   GLN G  49      -0.435  64.639  49.772  1.00 48.89           O  
-ATOM   7100  CB  GLN G  49      -2.537  62.680  48.650  1.00 50.86           C  
-ATOM   7101  CG  GLN G  49      -2.601  61.773  49.886  1.00 53.77           C  
-ATOM   7102  CD  GLN G  49      -2.243  60.317  49.568  1.00 58.91           C  
-ATOM   7103  OE1 GLN G  49      -1.444  59.680  50.271  1.00 56.30           O  
-ATOM   7104  NE2 GLN G  49      -2.841  59.784  48.504  1.00 63.09           N  
-ATOM   7105  N   HIS G  50      -0.678  65.335  47.632  1.00 45.87           N  
-ATOM   7106  CA  HIS G  50      -0.309  66.719  47.901  1.00 40.72           C  
-ATOM   7107  C   HIS G  50      -0.798  67.252  49.250  1.00 37.74           C  
-ATOM   7108  O   HIS G  50      -1.969  67.130  49.588  1.00 33.50           O  
-ATOM   7109  CB  HIS G  50      -0.831  67.616  46.780  1.00 43.65           C  
-ATOM   7110  CG  HIS G  50      -1.004  69.050  47.187  1.00 55.35           C  
-ATOM   7111  ND1 HIS G  50      -0.071  69.730  47.943  1.00 60.00           N  
-ATOM   7112  CD2 HIS G  50      -1.997  69.936  46.936  1.00 56.40           C  
-ATOM   7113  CE1 HIS G  50      -0.483  70.970  48.140  1.00 58.90           C  
-ATOM   7114  NE2 HIS G  50      -1.649  71.121  47.539  1.00 59.17           N  
-ATOM   7115  N   GLY G  51       0.112  67.850  50.014  1.00 39.40           N  
-ATOM   7116  CA  GLY G  51      -0.244  68.409  51.308  1.00 37.14           C  
-ATOM   7117  C   GLY G  51      -0.555  67.416  52.418  1.00 34.37           C  
-ATOM   7118  O   GLY G  51      -1.242  67.764  53.372  1.00 27.54           O  
-ATOM   7119  N   SER G  52      -0.048  66.190  52.302  1.00 36.82           N  
-ATOM   7120  CA  SER G  52      -0.279  65.160  53.313  1.00 37.67           C  
-ATOM   7121  C   SER G  52       0.393  65.523  54.633  1.00 37.95           C  
-ATOM   7122  O   SER G  52       1.393  66.253  54.661  1.00 38.65           O  
-ATOM   7123  CB  SER G  52       0.267  63.811  52.841  1.00 41.41           C  
-ATOM   7124  OG  SER G  52       1.657  63.701  53.100  1.00 45.29           O  
-ATOM   7125  N   ALA G  53      -0.151  64.995  55.726  1.00 35.67           N  
-ATOM   7126  CA  ALA G  53       0.393  65.265  57.048  1.00 36.37           C  
-ATOM   7127  C   ALA G  53       1.793  64.689  57.153  1.00 37.04           C  
-ATOM   7128  O   ALA G  53       2.680  65.285  57.769  1.00 38.38           O  
-ATOM   7129  CB  ALA G  53      -0.498  64.658  58.118  1.00 37.40           C  
-ATOM   7130  N   GLN G  54       1.984  63.520  56.551  1.00 34.98           N  
-ATOM   7131  CA  GLN G  54       3.281  62.873  56.576  1.00 31.43           C  
-ATOM   7132  C   GLN G  54       4.333  63.761  55.922  1.00 30.57           C  
-ATOM   7133  O   GLN G  54       5.365  64.071  56.519  1.00 28.21           O  
-ATOM   7134  CB  GLN G  54       3.203  61.525  55.865  1.00 28.46           C  
-ATOM   7135  CG  GLN G  54       2.735  60.404  56.760  1.00 28.30           C  
-ATOM   7136  CD  GLN G  54       2.795  59.069  56.075  1.00 34.18           C  
-ATOM   7137  OE1 GLN G  54       1.940  58.749  55.245  1.00 28.96           O  
-ATOM   7138  NE2 GLN G  54       3.820  58.278  56.403  1.00 35.51           N  
-ATOM   7139  N   ILE G  55       4.060  64.184  54.696  1.00 29.49           N  
-ATOM   7140  CA  ILE G  55       4.990  65.032  53.966  1.00 26.02           C  
-ATOM   7141  C   ILE G  55       5.314  66.293  54.745  1.00 25.74           C  
-ATOM   7142  O   ILE G  55       6.468  66.730  54.772  1.00 21.32           O  
-ATOM   7143  CB  ILE G  55       4.423  65.402  52.587  1.00 23.67           C  
-ATOM   7144  CG1 ILE G  55       4.574  64.209  51.636  1.00 18.49           C  
-ATOM   7145  CG2 ILE G  55       5.127  66.619  52.042  1.00 15.63           C  
-ATOM   7146  CD1 ILE G  55       3.832  64.380  50.337  1.00 19.51           C  
-ATOM   7147  N   LYS G  56       4.298  66.872  55.383  1.00 28.80           N  
-ATOM   7148  CA  LYS G  56       4.500  68.091  56.176  1.00 30.09           C  
-ATOM   7149  C   LYS G  56       5.420  67.809  57.352  1.00 26.66           C  
-ATOM   7150  O   LYS G  56       6.404  68.524  57.573  1.00 22.32           O  
-ATOM   7151  CB  LYS G  56       3.171  68.634  56.722  1.00 29.00           C  
-ATOM   7152  CG  LYS G  56       2.201  69.078  55.666  1.00 33.12           C  
-ATOM   7153  CD  LYS G  56       0.963  69.741  56.263  1.00 35.62           C  
-ATOM   7154  CE  LYS G  56       0.011  70.183  55.141  1.00 43.10           C  
-ATOM   7155  NZ  LYS G  56      -1.239  70.841  55.606  1.00 39.45           N  
-ATOM   7156  N   ALA G  57       5.083  66.758  58.096  1.00 21.93           N  
-ATOM   7157  CA  ALA G  57       5.845  66.371  59.268  1.00 20.53           C  
-ATOM   7158  C   ALA G  57       7.302  66.081  58.899  1.00 21.85           C  
-ATOM   7159  O   ALA G  57       8.239  66.563  59.560  1.00 18.20           O  
-ATOM   7160  CB  ALA G  57       5.194  65.159  59.916  1.00 19.54           C  
-ATOM   7161  N   HIS G  58       7.490  65.316  57.825  1.00 20.84           N  
-ATOM   7162  CA  HIS G  58       8.825  64.971  57.380  1.00 16.13           C  
-ATOM   7163  C   HIS G  58       9.521  66.210  56.853  1.00 13.25           C  
-ATOM   7164  O   HIS G  58      10.687  66.463  57.169  1.00  9.13           O  
-ATOM   7165  CB  HIS G  58       8.758  63.888  56.303  1.00 22.09           C  
-ATOM   7166  CG  HIS G  58      10.049  63.163  56.113  1.00 25.34           C  
-ATOM   7167  ND1 HIS G  58      10.708  62.549  57.153  1.00 28.97           N  
-ATOM   7168  CD2 HIS G  58      10.837  63.009  55.024  1.00 30.43           C  
-ATOM   7169  CE1 HIS G  58      11.852  62.053  56.715  1.00 35.29           C  
-ATOM   7170  NE2 HIS G  58      11.954  62.319  55.426  1.00 34.60           N  
-ATOM   7171  N   GLY G  59       8.796  66.985  56.052  1.00 12.71           N  
-ATOM   7172  CA  GLY G  59       9.365  68.196  55.512  1.00 13.47           C  
-ATOM   7173  C   GLY G  59      10.000  68.969  56.645  1.00 15.25           C  
-ATOM   7174  O   GLY G  59      11.177  69.272  56.631  1.00 19.54           O  
-ATOM   7175  N   LYS G  60       9.206  69.272  57.654  1.00 21.55           N  
-ATOM   7176  CA  LYS G  60       9.682  70.016  58.807  1.00 19.93           C  
-ATOM   7177  C   LYS G  60      10.951  69.397  59.386  1.00 19.92           C  
-ATOM   7178  O   LYS G  60      11.893  70.112  59.718  1.00 18.74           O  
-ATOM   7179  CB  LYS G  60       8.574  70.054  59.865  1.00 26.08           C  
-ATOM   7180  CG  LYS G  60       8.857  70.904  61.088  1.00 29.74           C  
-ATOM   7181  CD  LYS G  60       7.672  70.872  62.049  1.00 39.21           C  
-ATOM   7182  CE  LYS G  60       7.989  71.597  63.353  1.00 47.68           C  
-ATOM   7183  NZ  LYS G  60       6.897  71.466  64.376  1.00 54.42           N  
-ATOM   7184  N   LYS G  61      10.984  68.070  59.494  1.00 16.64           N  
-ATOM   7185  CA  LYS G  61      12.141  67.375  60.060  1.00 13.04           C  
-ATOM   7186  C   LYS G  61      13.382  67.575  59.230  1.00 13.05           C  
-ATOM   7187  O   LYS G  61      14.466  67.824  59.767  1.00 15.89           O  
-ATOM   7188  CB  LYS G  61      11.856  65.879  60.172  1.00 20.29           C  
-ATOM   7189  CG  LYS G  61      10.703  65.551  61.083  1.00 26.63           C  
-ATOM   7190  CD  LYS G  61      11.136  65.517  62.532  1.00 30.88           C  
-ATOM   7191  CE  LYS G  61      11.266  64.084  62.978  1.00 32.11           C  
-ATOM   7192  NZ  LYS G  61      10.029  63.323  62.636  1.00 32.01           N  
-ATOM   7193  N   VAL G  62      13.222  67.443  57.916  1.00  7.37           N  
-ATOM   7194  CA  VAL G  62      14.324  67.610  56.989  1.00  9.07           C  
-ATOM   7195  C   VAL G  62      15.042  68.941  57.148  1.00  8.38           C  
-ATOM   7196  O   VAL G  62      16.226  68.988  57.454  1.00  8.08           O  
-ATOM   7197  CB  VAL G  62      13.828  67.496  55.568  1.00 11.49           C  
-ATOM   7198  CG1 VAL G  62      14.919  67.886  54.599  1.00 10.65           C  
-ATOM   7199  CG2 VAL G  62      13.352  66.081  55.323  1.00 12.35           C  
-ATOM   7200  N   VAL G  63      14.322  70.026  56.933  1.00  9.37           N  
-ATOM   7201  CA  VAL G  63      14.925  71.342  57.061  1.00 17.02           C  
-ATOM   7202  C   VAL G  63      15.404  71.612  58.496  1.00 16.43           C  
-ATOM   7203  O   VAL G  63      16.413  72.301  58.712  1.00  8.84           O  
-ATOM   7204  CB  VAL G  63      13.933  72.431  56.566  1.00 14.54           C  
-ATOM   7205  CG1 VAL G  63      12.537  71.936  56.727  1.00 20.36           C  
-ATOM   7206  CG2 VAL G  63      14.138  73.738  57.321  1.00 19.17           C  
-ATOM   7207  N   ALA G  64      14.693  71.043  59.470  1.00 17.85           N  
-ATOM   7208  CA  ALA G  64      15.051  71.212  60.877  1.00 12.17           C  
-ATOM   7209  C   ALA G  64      16.487  70.754  61.072  1.00 14.36           C  
-ATOM   7210  O   ALA G  64      17.258  71.364  61.828  1.00 13.41           O  
-ATOM   7211  CB  ALA G  64      14.119  70.398  61.743  1.00 12.95           C  
-ATOM   7212  N   ALA G  65      16.829  69.676  60.364  1.00 15.46           N  
-ATOM   7213  CA  ALA G  65      18.160  69.076  60.399  1.00 11.22           C  
-ATOM   7214  C   ALA G  65      19.201  69.915  59.657  1.00 13.77           C  
-ATOM   7215  O   ALA G  65      20.345  70.041  60.105  1.00 11.62           O  
-ATOM   7216  CB  ALA G  65      18.098  67.696  59.798  1.00  7.18           C  
-ATOM   7217  N   LEU G  66      18.810  70.468  58.510  1.00 15.17           N  
-ATOM   7218  CA  LEU G  66      19.709  71.299  57.716  1.00 15.59           C  
-ATOM   7219  C   LEU G  66      20.066  72.509  58.567  1.00 17.57           C  
-ATOM   7220  O   LEU G  66      21.218  72.984  58.568  1.00 11.62           O  
-ATOM   7221  CB  LEU G  66      19.013  71.760  56.432  1.00 18.94           C  
-ATOM   7222  CG  LEU G  66      18.706  70.690  55.385  1.00 17.49           C  
-ATOM   7223  CD1 LEU G  66      17.722  71.234  54.382  1.00 11.75           C  
-ATOM   7224  CD2 LEU G  66      19.986  70.257  54.702  1.00 13.94           C  
-ATOM   7225  N   VAL G  67      19.058  73.001  59.288  1.00 17.47           N  
-ATOM   7226  CA  VAL G  67      19.231  74.144  60.173  1.00 20.03           C  
-ATOM   7227  C   VAL G  67      20.217  73.736  61.251  1.00 23.20           C  
-ATOM   7228  O   VAL G  67      21.204  74.434  61.504  1.00 19.88           O  
-ATOM   7229  CB  VAL G  67      17.897  74.558  60.836  1.00 22.63           C  
-ATOM   7230  CG1 VAL G  67      18.150  75.602  61.926  1.00 13.76           C  
-ATOM   7231  CG2 VAL G  67      16.936  75.089  59.773  1.00 16.05           C  
-ATOM   7232  N   GLU G  68      19.946  72.591  61.876  1.00 26.83           N  
-ATOM   7233  CA  GLU G  68      20.817  72.074  62.922  1.00 32.58           C  
-ATOM   7234  C   GLU G  68      22.259  72.055  62.432  1.00 30.03           C  
-ATOM   7235  O   GLU G  68      23.177  72.391  63.176  1.00 30.03           O  
-ATOM   7236  CB  GLU G  68      20.395  70.659  63.330  1.00 40.28           C  
-ATOM   7237  CG  GLU G  68      20.971  70.236  64.674  1.00 47.42           C  
-ATOM   7238  CD  GLU G  68      20.573  71.194  65.795  1.00 51.34           C  
-ATOM   7239  OE1 GLU G  68      21.344  71.310  66.770  1.00 53.58           O  
-ATOM   7240  OE2 GLU G  68      19.490  71.826  65.704  1.00 50.74           O  
-ATOM   7241  N   ALA G  69      22.449  71.676  61.171  1.00 28.93           N  
-ATOM   7242  CA  ALA G  69      23.785  71.617  60.591  1.00 26.77           C  
-ATOM   7243  C   ALA G  69      24.392  73.002  60.480  1.00 24.92           C  
-ATOM   7244  O   ALA G  69      25.600  73.165  60.602  1.00 23.51           O  
-ATOM   7245  CB  ALA G  69      23.739  70.957  59.223  1.00 27.42           C  
-ATOM   7246  N   VAL G  70      23.562  74.007  60.243  1.00 25.23           N  
-ATOM   7247  CA  VAL G  70      24.098  75.354  60.133  1.00 29.46           C  
-ATOM   7248  C   VAL G  70      24.641  75.834  61.475  1.00 30.20           C  
-ATOM   7249  O   VAL G  70      25.689  76.485  61.533  1.00 28.84           O  
-ATOM   7250  CB  VAL G  70      23.041  76.346  59.627  1.00 28.11           C  
-ATOM   7251  CG1 VAL G  70      23.661  77.734  59.476  1.00 25.42           C  
-ATOM   7252  CG2 VAL G  70      22.491  75.864  58.295  1.00 30.68           C  
-ATOM   7253  N   ASN G  71      23.942  75.505  62.556  1.00 32.60           N  
-ATOM   7254  CA  ASN G  71      24.398  75.914  63.877  1.00 35.83           C  
-ATOM   7255  C   ASN G  71      25.767  75.312  64.171  1.00 36.79           C  
-ATOM   7256  O   ASN G  71      26.591  75.911  64.858  1.00 38.97           O  
-ATOM   7257  CB  ASN G  71      23.393  75.487  64.940  1.00 37.78           C  
-ATOM   7258  CG  ASN G  71      22.011  76.042  64.676  1.00 44.20           C  
-ATOM   7259  OD1 ASN G  71      21.868  77.179  64.222  1.00 41.38           O  
-ATOM   7260  ND2 ASN G  71      20.983  75.248  64.968  1.00 51.73           N  
-ATOM   7261  N   HIS G  72      26.010  74.126  63.629  1.00 39.09           N  
-ATOM   7262  CA  HIS G  72      27.282  73.444  63.828  1.00 40.91           C  
-ATOM   7263  C   HIS G  72      27.982  73.332  62.479  1.00 38.48           C  
-ATOM   7264  O   HIS G  72      28.606  72.314  62.172  1.00 34.91           O  
-ATOM   7265  CB  HIS G  72      27.039  72.049  64.409  1.00 43.42           C  
-ATOM   7266  CG  HIS G  72      26.185  72.055  65.634  1.00 47.88           C  
-ATOM   7267  ND1 HIS G  72      24.926  72.614  65.656  1.00 53.88           N  
-ATOM   7268  CD2 HIS G  72      26.406  71.579  66.881  1.00 51.40           C  
-ATOM   7269  CE1 HIS G  72      24.407  72.483  66.863  1.00 54.14           C  
-ATOM   7270  NE2 HIS G  72      25.286  71.858  67.627  1.00 54.13           N  
-ATOM   7271  N   ILE G  73      27.871  74.394  61.683  1.00 37.27           N  
-ATOM   7272  CA  ILE G  73      28.462  74.428  60.354  1.00 33.08           C  
-ATOM   7273  C   ILE G  73      29.963  74.205  60.377  1.00 33.23           C  
-ATOM   7274  O   ILE G  73      30.611  74.256  59.341  1.00 37.22           O  
-ATOM   7275  CB  ILE G  73      28.178  75.764  59.657  1.00 29.64           C  
-ATOM   7276  CG1 ILE G  73      28.329  75.600  58.150  1.00 26.03           C  
-ATOM   7277  CG2 ILE G  73      29.138  76.833  60.161  1.00 26.37           C  
-ATOM   7278  CD1 ILE G  73      27.862  76.811  57.355  1.00 31.13           C  
-ATOM   7279  N   ASP G  74      30.520  73.958  61.553  1.00 35.67           N  
-ATOM   7280  CA  ASP G  74      31.956  73.731  61.666  1.00 41.20           C  
-ATOM   7281  C   ASP G  74      32.264  72.238  61.810  1.00 42.63           C  
-ATOM   7282  O   ASP G  74      33.403  71.800  61.638  1.00 43.14           O  
-ATOM   7283  CB  ASP G  74      32.518  74.503  62.868  1.00 47.31           C  
-ATOM   7284  CG  ASP G  74      32.078  75.967  62.885  1.00 54.21           C  
-ATOM   7285  OD1 ASP G  74      30.998  76.263  63.452  1.00 58.08           O  
-ATOM   7286  OD2 ASP G  74      32.806  76.819  62.320  1.00 54.13           O  
-ATOM   7287  N   ASP G  75      31.233  71.459  62.119  1.00 43.73           N  
-ATOM   7288  CA  ASP G  75      31.377  70.021  62.297  1.00 39.88           C  
-ATOM   7289  C   ASP G  75      30.114  69.324  61.802  1.00 40.56           C  
-ATOM   7290  O   ASP G  75      29.431  68.635  62.562  1.00 39.41           O  
-ATOM   7291  CB  ASP G  75      31.594  69.706  63.774  1.00 42.71           C  
-ATOM   7292  CG  ASP G  75      32.077  68.296  64.001  1.00 45.98           C  
-ATOM   7293  OD1 ASP G  75      32.214  67.898  65.185  1.00 43.36           O  
-ATOM   7294  OD2 ASP G  75      32.323  67.594  62.990  1.00 45.78           O  
-ATOM   7295  N   ILE G  76      29.810  69.522  60.521  1.00 40.20           N  
-ATOM   7296  CA  ILE G  76      28.631  68.934  59.883  1.00 33.83           C  
-ATOM   7297  C   ILE G  76      28.569  67.427  60.115  1.00 33.72           C  
-ATOM   7298  O   ILE G  76      27.493  66.866  60.375  1.00 28.60           O  
-ATOM   7299  CB  ILE G  76      28.647  69.225  58.366  1.00 28.95           C  
-ATOM   7300  CG1 ILE G  76      28.687  70.732  58.147  1.00 27.40           C  
-ATOM   7301  CG2 ILE G  76      27.423  68.639  57.679  1.00 27.06           C  
-ATOM   7302  CD1 ILE G  76      28.679  71.125  56.689  1.00 23.53           C  
-ATOM   7303  N   ALA G  77      29.730  66.780  60.019  1.00 35.43           N  
-ATOM   7304  CA  ALA G  77      29.821  65.338  60.225  1.00 38.09           C  
-ATOM   7305  C   ALA G  77      29.296  64.992  61.618  1.00 41.00           C  
-ATOM   7306  O   ALA G  77      28.326  64.244  61.761  1.00 44.27           O  
-ATOM   7307  CB  ALA G  77      31.260  64.872  60.083  1.00 31.34           C  
-ATOM   7308  N   GLY G  78      29.936  65.549  62.642  1.00 39.32           N  
-ATOM   7309  CA  GLY G  78      29.510  65.276  63.997  1.00 35.34           C  
-ATOM   7310  C   GLY G  78      28.030  65.540  64.151  1.00 36.41           C  
-ATOM   7311  O   GLY G  78      27.273  64.709  64.664  1.00 38.96           O  
-ATOM   7312  N   ALA G  79      27.616  66.709  63.684  1.00 33.86           N  
-ATOM   7313  CA  ALA G  79      26.230  67.126  63.772  1.00 31.56           C  
-ATOM   7314  C   ALA G  79      25.261  66.141  63.145  1.00 30.40           C  
-ATOM   7315  O   ALA G  79      24.145  65.986  63.621  1.00 31.11           O  
-ATOM   7316  CB  ALA G  79      26.064  68.501  63.128  1.00 32.85           C  
-ATOM   7317  N   LEU G  80      25.679  65.461  62.086  1.00 31.91           N  
-ATOM   7318  CA  LEU G  80      24.775  64.534  61.416  1.00 31.87           C  
-ATOM   7319  C   LEU G  80      25.239  63.085  61.383  1.00 31.56           C  
-ATOM   7320  O   LEU G  80      24.723  62.284  60.607  1.00 34.66           O  
-ATOM   7321  CB  LEU G  80      24.522  65.032  59.990  1.00 27.34           C  
-ATOM   7322  CG  LEU G  80      24.008  66.473  59.932  1.00 21.43           C  
-ATOM   7323  CD1 LEU G  80      24.848  67.267  58.980  1.00 23.99           C  
-ATOM   7324  CD2 LEU G  80      22.549  66.496  59.517  1.00 20.72           C  
-ATOM   7325  N   SER G  81      26.206  62.744  62.225  1.00 30.70           N  
-ATOM   7326  CA  SER G  81      26.720  61.384  62.258  1.00 28.31           C  
-ATOM   7327  C   SER G  81      25.604  60.347  62.364  1.00 28.01           C  
-ATOM   7328  O   SER G  81      25.623  59.331  61.682  1.00 31.15           O  
-ATOM   7329  CB  SER G  81      27.685  61.233  63.423  1.00 28.12           C  
-ATOM   7330  OG  SER G  81      27.155  61.867  64.569  1.00 34.87           O  
-ATOM   7331  N   LYS G  82      24.624  60.608  63.214  1.00 27.20           N  
-ATOM   7332  CA  LYS G  82      23.512  59.687  63.405  1.00 28.85           C  
-ATOM   7333  C   LYS G  82      22.680  59.522  62.125  1.00 27.46           C  
-ATOM   7334  O   LYS G  82      22.128  58.456  61.855  1.00 27.21           O  
-ATOM   7335  CB  LYS G  82      22.622  60.196  64.549  1.00 36.11           C  
-ATOM   7336  CG  LYS G  82      21.912  59.114  65.353  1.00 42.06           C  
-ATOM   7337  CD  LYS G  82      20.923  58.318  64.503  1.00 47.60           C  
-ATOM   7338  CE  LYS G  82      21.193  56.808  64.579  1.00 48.74           C  
-ATOM   7339  NZ  LYS G  82      22.564  56.429  64.090  1.00 49.32           N  
-ATOM   7340  N   LEU G  83      22.586  60.577  61.332  1.00 25.34           N  
-ATOM   7341  CA  LEU G  83      21.801  60.504  60.109  1.00 26.47           C  
-ATOM   7342  C   LEU G  83      22.542  59.876  58.930  1.00 25.92           C  
-ATOM   7343  O   LEU G  83      21.911  59.384  57.990  1.00 19.08           O  
-ATOM   7344  CB  LEU G  83      21.306  61.894  59.720  1.00 27.57           C  
-ATOM   7345  CG  LEU G  83      20.239  62.507  60.616  1.00 27.96           C  
-ATOM   7346  CD1 LEU G  83      20.068  63.946  60.196  1.00 28.44           C  
-ATOM   7347  CD2 LEU G  83      18.914  61.743  60.514  1.00 20.26           C  
-ATOM   7348  N   SER G  84      23.873  59.910  58.964  1.00 27.02           N  
-ATOM   7349  CA  SER G  84      24.650  59.302  57.887  1.00 30.25           C  
-ATOM   7350  C   SER G  84      24.581  57.781  58.052  1.00 27.31           C  
-ATOM   7351  O   SER G  84      24.693  57.034  57.086  1.00 26.71           O  
-ATOM   7352  CB  SER G  84      26.105  59.799  57.895  1.00 24.27           C  
-ATOM   7353  OG  SER G  84      26.723  59.603  59.143  1.00 19.67           O  
-ATOM   7354  N   ASP G  85      24.378  57.333  59.284  1.00 26.27           N  
-ATOM   7355  CA  ASP G  85      24.249  55.918  59.553  1.00 28.55           C  
-ATOM   7356  C   ASP G  85      22.976  55.505  58.859  1.00 25.50           C  
-ATOM   7357  O   ASP G  85      22.948  54.592  58.036  1.00 24.16           O  
-ATOM   7358  CB  ASP G  85      24.073  55.656  61.047  1.00 33.89           C  
-ATOM   7359  CG  ASP G  85      25.372  55.346  61.754  1.00 43.82           C  
-ATOM   7360  OD1 ASP G  85      25.288  54.858  62.899  1.00 56.06           O  
-ATOM   7361  OD2 ASP G  85      26.467  55.584  61.196  1.00 45.16           O  
-ATOM   7362  N   LEU G  86      21.912  56.203  59.224  1.00 23.67           N  
-ATOM   7363  CA  LEU G  86      20.591  55.941  58.702  1.00 22.46           C  
-ATOM   7364  C   LEU G  86      20.523  55.935  57.164  1.00 21.64           C  
-ATOM   7365  O   LEU G  86      20.053  54.977  56.543  1.00 17.34           O  
-ATOM   7366  CB  LEU G  86      19.641  56.990  59.263  1.00 24.32           C  
-ATOM   7367  CG  LEU G  86      18.161  56.654  59.427  1.00 25.67           C  
-ATOM   7368  CD1 LEU G  86      17.431  57.958  59.640  1.00 22.64           C  
-ATOM   7369  CD2 LEU G  86      17.595  55.943  58.219  1.00 24.74           C  
-ATOM   7370  N   HIS G  87      21.003  57.004  56.545  1.00 21.29           N  
-ATOM   7371  CA  HIS G  87      20.939  57.103  55.096  1.00 18.37           C  
-ATOM   7372  C   HIS G  87      21.951  56.260  54.338  1.00 15.17           C  
-ATOM   7373  O   HIS G  87      21.707  55.911  53.176  1.00 13.21           O  
-ATOM   7374  CB  HIS G  87      21.047  58.578  54.656  1.00 19.79           C  
-ATOM   7375  CG  HIS G  87      19.857  59.417  55.034  1.00 17.81           C  
-ATOM   7376  ND1 HIS G  87      19.672  59.919  56.304  1.00 12.38           N  
-ATOM   7377  CD2 HIS G  87      18.778  59.814  54.313  1.00 13.64           C  
-ATOM   7378  CE1 HIS G  87      18.534  60.589  56.347  1.00 12.83           C  
-ATOM   7379  NE2 HIS G  87      17.972  60.540  55.153  1.00  9.63           N  
-ATOM   7380  N   ALA G  88      23.072  55.926  54.982  1.00 11.12           N  
-ATOM   7381  CA  ALA G  88      24.115  55.123  54.332  1.00 11.57           C  
-ATOM   7382  C   ALA G  88      24.011  53.639  54.636  1.00 14.13           C  
-ATOM   7383  O   ALA G  88      23.663  52.849  53.761  1.00 19.68           O  
-ATOM   7384  CB  ALA G  88      25.507  55.642  54.711  1.00  9.56           C  
-ATOM   7385  N   GLN G  89      24.305  53.258  55.877  1.00 23.06           N  
-ATOM   7386  CA  GLN G  89      24.253  51.854  56.309  1.00 20.75           C  
-ATOM   7387  C   GLN G  89      22.878  51.210  56.240  1.00 14.08           C  
-ATOM   7388  O   GLN G  89      22.737  50.094  55.770  1.00  8.59           O  
-ATOM   7389  CB  GLN G  89      24.764  51.740  57.741  1.00 27.37           C  
-ATOM   7390  CG  GLN G  89      26.162  52.288  57.940  1.00 41.03           C  
-ATOM   7391  CD  GLN G  89      27.236  51.333  57.459  1.00 51.26           C  
-ATOM   7392  OE1 GLN G  89      28.421  51.689  57.416  1.00 57.47           O  
-ATOM   7393  NE2 GLN G  89      26.832  50.105  57.104  1.00 51.13           N  
-ATOM   7394  N   LYS G  90      21.866  51.930  56.704  1.00 15.91           N  
-ATOM   7395  CA  LYS G  90      20.499  51.411  56.750  1.00 22.05           C  
-ATOM   7396  C   LYS G  90      19.682  51.433  55.445  1.00 18.79           C  
-ATOM   7397  O   LYS G  90      19.428  50.389  54.844  1.00 17.67           O  
-ATOM   7398  CB  LYS G  90      19.738  52.149  57.854  1.00 25.23           C  
-ATOM   7399  CG  LYS G  90      18.340  51.625  58.128  1.00 38.25           C  
-ATOM   7400  CD  LYS G  90      18.338  50.422  59.066  1.00 47.05           C  
-ATOM   7401  CE  LYS G  90      16.903  50.050  59.486  1.00 50.78           C  
-ATOM   7402  NZ  LYS G  90      16.217  51.161  60.219  1.00 50.70           N  
-ATOM   7403  N   LEU G  91      19.264  52.622  55.024  1.00 20.61           N  
-ATOM   7404  CA  LEU G  91      18.464  52.814  53.799  1.00 20.12           C  
-ATOM   7405  C   LEU G  91      19.221  52.627  52.459  1.00 15.25           C  
-ATOM   7406  O   LEU G  91      18.602  52.370  51.425  1.00  4.97           O  
-ATOM   7407  CB  LEU G  91      17.876  54.227  53.810  1.00 23.17           C  
-ATOM   7408  CG  LEU G  91      17.103  54.694  55.039  1.00 23.78           C  
-ATOM   7409  CD1 LEU G  91      16.867  56.192  54.956  1.00 22.61           C  
-ATOM   7410  CD2 LEU G  91      15.794  53.939  55.123  1.00 18.49           C  
-ATOM   7411  N   ARG G  92      20.547  52.764  52.510  1.00 13.65           N  
-ATOM   7412  CA  ARG G  92      21.443  52.678  51.361  1.00 17.55           C  
-ATOM   7413  C   ARG G  92      20.905  53.625  50.293  1.00 19.16           C  
-ATOM   7414  O   ARG G  92      20.578  53.188  49.190  1.00 18.93           O  
-ATOM   7415  CB  ARG G  92      21.524  51.265  50.757  1.00 19.10           C  
-ATOM   7416  CG  ARG G  92      21.532  50.079  51.700  1.00 20.62           C  
-ATOM   7417  CD  ARG G  92      22.671  50.050  52.707  1.00 26.11           C  
-ATOM   7418  NE  ARG G  92      24.007  49.915  52.140  1.00 24.53           N  
-ATOM   7419  CZ  ARG G  92      24.992  49.229  52.720  1.00 27.55           C  
-ATOM   7420  NH1 ARG G  92      24.790  48.598  53.870  1.00 28.29           N  
-ATOM   7421  NH2 ARG G  92      26.202  49.215  52.183  1.00 25.55           N  
-ATOM   7422  N   VAL G  93      20.803  54.914  50.618  1.00 18.33           N  
-ATOM   7423  CA  VAL G  93      20.282  55.885  49.665  1.00 10.64           C  
-ATOM   7424  C   VAL G  93      21.307  56.167  48.606  1.00 10.99           C  
-ATOM   7425  O   VAL G  93      22.459  56.468  48.916  1.00 13.59           O  
-ATOM   7426  CB  VAL G  93      19.931  57.224  50.320  1.00 14.54           C  
-ATOM   7427  CG1 VAL G  93      19.470  58.213  49.249  1.00 17.17           C  
-ATOM   7428  CG2 VAL G  93      18.855  57.035  51.358  1.00 11.56           C  
-ATOM   7429  N   ASP G  94      20.877  56.070  47.354  1.00  9.74           N  
-ATOM   7430  CA  ASP G  94      21.753  56.320  46.230  1.00 13.73           C  
-ATOM   7431  C   ASP G  94      22.181  57.778  46.289  1.00 14.85           C  
-ATOM   7432  O   ASP G  94      21.345  58.680  46.281  1.00 12.49           O  
-ATOM   7433  CB  ASP G  94      21.019  56.050  44.919  1.00 17.08           C  
-ATOM   7434  CG  ASP G  94      21.940  56.088  43.723  1.00 15.89           C  
-ATOM   7435  OD1 ASP G  94      22.776  57.011  43.670  1.00 18.48           O  
-ATOM   7436  OD2 ASP G  94      21.819  55.204  42.845  1.00 11.22           O  
-ATOM   7437  N   PRO G  95      23.497  58.024  46.350  1.00 14.57           N  
-ATOM   7438  CA  PRO G  95      24.027  59.389  46.414  1.00 13.32           C  
-ATOM   7439  C   PRO G  95      23.440  60.337  45.364  1.00 15.64           C  
-ATOM   7440  O   PRO G  95      23.442  61.560  45.545  1.00 17.38           O  
-ATOM   7441  CB  PRO G  95      25.538  59.180  46.262  1.00  7.15           C  
-ATOM   7442  CG  PRO G  95      25.635  57.907  45.512  1.00  7.54           C  
-ATOM   7443  CD  PRO G  95      24.584  57.054  46.157  1.00  9.31           C  
-ATOM   7444  N   VAL G  96      22.907  59.773  44.284  1.00 15.28           N  
-ATOM   7445  CA  VAL G  96      22.342  60.581  43.210  1.00 10.46           C  
-ATOM   7446  C   VAL G  96      21.079  61.347  43.612  1.00  8.93           C  
-ATOM   7447  O   VAL G  96      20.830  62.434  43.116  1.00  5.05           O  
-ATOM   7448  CB  VAL G  96      22.011  59.714  41.996  1.00  9.98           C  
-ATOM   7449  CG1 VAL G  96      20.688  59.005  42.216  1.00 10.97           C  
-ATOM   7450  CG2 VAL G  96      21.959  60.573  40.753  1.00 20.41           C  
-ATOM   7451  N   ASN G  97      20.278  60.778  44.509  1.00 12.14           N  
-ATOM   7452  CA  ASN G  97      19.044  61.424  44.951  1.00  8.59           C  
-ATOM   7453  C   ASN G  97      19.270  62.660  45.794  1.00 12.19           C  
-ATOM   7454  O   ASN G  97      18.397  63.515  45.877  1.00 16.93           O  
-ATOM   7455  CB  ASN G  97      18.186  60.473  45.763  1.00  3.36           C  
-ATOM   7456  CG  ASN G  97      17.595  59.391  44.945  1.00  3.36           C  
-ATOM   7457  OD1 ASN G  97      17.976  58.231  45.069  1.00  5.98           O  
-ATOM   7458  ND2 ASN G  97      16.646  59.748  44.097  1.00 11.90           N  
-ATOM   7459  N   PHE G  98      20.418  62.744  46.455  1.00 14.96           N  
-ATOM   7460  CA  PHE G  98      20.707  63.908  47.272  1.00 11.75           C  
-ATOM   7461  C   PHE G  98      20.752  65.133  46.361  1.00  9.85           C  
-ATOM   7462  O   PHE G  98      20.441  66.237  46.786  1.00 11.71           O  
-ATOM   7463  CB  PHE G  98      22.021  63.704  48.032  1.00 12.69           C  
-ATOM   7464  CG  PHE G  98      21.876  62.817  49.234  1.00 12.49           C  
-ATOM   7465  CD1 PHE G  98      21.498  63.352  50.461  1.00 12.21           C  
-ATOM   7466  CD2 PHE G  98      22.021  61.438  49.121  1.00  9.88           C  
-ATOM   7467  CE1 PHE G  98      21.258  62.528  51.557  1.00 10.42           C  
-ATOM   7468  CE2 PHE G  98      21.781  60.604  50.216  1.00 11.58           C  
-ATOM   7469  CZ  PHE G  98      21.397  61.150  51.436  1.00  7.02           C  
-ATOM   7470  N   LYS G  99      21.117  64.934  45.099  1.00  8.86           N  
-ATOM   7471  CA  LYS G  99      21.148  66.042  44.160  1.00  9.72           C  
-ATOM   7472  C   LYS G  99      19.710  66.524  43.969  1.00 11.63           C  
-ATOM   7473  O   LYS G  99      19.417  67.702  44.142  1.00 16.23           O  
-ATOM   7474  CB  LYS G  99      21.728  65.611  42.818  1.00  8.60           C  
-ATOM   7475  CG  LYS G  99      23.234  65.650  42.729  1.00 19.83           C  
-ATOM   7476  CD  LYS G  99      23.704  64.744  41.567  1.00 36.73           C  
-ATOM   7477  CE  LYS G  99      25.222  64.517  41.559  1.00 38.99           C  
-ATOM   7478  NZ  LYS G  99      25.607  63.491  40.554  1.00 46.18           N  
-ATOM   7479  N   PHE G 100      18.807  65.615  43.623  1.00  7.73           N  
-ATOM   7480  CA  PHE G 100      17.409  65.990  43.435  1.00  9.71           C  
-ATOM   7481  C   PHE G 100      16.824  66.823  44.582  1.00 15.00           C  
-ATOM   7482  O   PHE G 100      16.140  67.814  44.345  1.00 17.91           O  
-ATOM   7483  CB  PHE G 100      16.541  64.749  43.284  1.00  3.52           C  
-ATOM   7484  CG  PHE G 100      17.044  63.789  42.281  1.00  8.50           C  
-ATOM   7485  CD1 PHE G 100      16.851  62.423  42.461  1.00 12.28           C  
-ATOM   7486  CD2 PHE G 100      17.710  64.230  41.150  1.00  8.14           C  
-ATOM   7487  CE1 PHE G 100      17.319  61.509  41.523  1.00 15.62           C  
-ATOM   7488  CE2 PHE G 100      18.180  63.323  40.206  1.00 10.10           C  
-ATOM   7489  CZ  PHE G 100      17.986  61.963  40.391  1.00 12.84           C  
-ATOM   7490  N   LEU G 101      17.069  66.411  45.824  1.00 14.84           N  
-ATOM   7491  CA  LEU G 101      16.526  67.128  46.965  1.00  8.49           C  
-ATOM   7492  C   LEU G 101      17.116  68.513  47.137  1.00  7.72           C  
-ATOM   7493  O   LEU G 101      16.395  69.449  47.437  1.00 11.76           O  
-ATOM   7494  CB  LEU G 101      16.725  66.321  48.241  1.00 11.76           C  
-ATOM   7495  CG  LEU G 101      15.896  66.779  49.440  1.00  8.71           C  
-ATOM   7496  CD1 LEU G 101      15.572  65.568  50.279  1.00 11.78           C  
-ATOM   7497  CD2 LEU G 101      16.632  67.832  50.242  1.00  6.94           C  
-ATOM   7498  N   GLY G 102      18.420  68.655  46.950  1.00  3.36           N  
-ATOM   7499  CA  GLY G 102      19.018  69.966  47.097  1.00  3.36           C  
-ATOM   7500  C   GLY G 102      18.492  70.914  46.032  1.00  4.15           C  
-ATOM   7501  O   GLY G 102      18.290  72.105  46.266  1.00  6.33           O  
-ATOM   7502  N   HIS G 103      18.267  70.369  44.848  1.00  3.36           N  
-ATOM   7503  CA  HIS G 103      17.779  71.128  43.713  1.00  3.36           C  
-ATOM   7504  C   HIS G 103      16.434  71.719  44.008  1.00  4.46           C  
-ATOM   7505  O   HIS G 103      16.202  72.912  43.829  1.00  8.16           O  
-ATOM   7506  CB  HIS G 103      17.652  70.205  42.519  1.00  9.71           C  
-ATOM   7507  CG  HIS G 103      17.183  70.884  41.279  1.00 12.11           C  
-ATOM   7508  ND1 HIS G 103      17.793  72.012  40.777  1.00 12.76           N  
-ATOM   7509  CD2 HIS G 103      16.177  70.582  40.426  1.00 13.74           C  
-ATOM   7510  CE1 HIS G 103      17.178  72.376  39.666  1.00 16.31           C  
-ATOM   7511  NE2 HIS G 103      16.196  71.526  39.429  1.00 10.56           N  
-ATOM   7512  N   CYS G 104      15.526  70.863  44.438  1.00  6.45           N  
-ATOM   7513  CA  CYS G 104      14.195  71.314  44.774  1.00  8.26           C  
-ATOM   7514  C   CYS G 104      14.246  72.352  45.882  1.00  9.88           C  
-ATOM   7515  O   CYS G 104      13.541  73.353  45.831  1.00 16.59           O  
-ATOM   7516  CB  CYS G 104      13.338  70.130  45.179  1.00  4.08           C  
-ATOM   7517  SG  CYS G 104      12.996  69.072  43.781  1.00  9.79           S  
-ATOM   7518  N   PHE G 105      15.097  72.135  46.869  1.00  7.80           N  
-ATOM   7519  CA  PHE G 105      15.216  73.091  47.961  1.00 11.12           C  
-ATOM   7520  C   PHE G 105      15.533  74.497  47.429  1.00 11.40           C  
-ATOM   7521  O   PHE G 105      14.912  75.491  47.847  1.00  8.63           O  
-ATOM   7522  CB  PHE G 105      16.308  72.648  48.938  1.00  7.55           C  
-ATOM   7523  CG  PHE G 105      16.379  73.477  50.177  1.00  9.30           C  
-ATOM   7524  CD1 PHE G 105      17.480  74.288  50.423  1.00 10.62           C  
-ATOM   7525  CD2 PHE G 105      15.339  73.448  51.114  1.00 14.96           C  
-ATOM   7526  CE1 PHE G 105      17.553  75.073  51.607  1.00 18.78           C  
-ATOM   7527  CE2 PHE G 105      15.402  74.226  52.299  1.00 13.72           C  
-ATOM   7528  CZ  PHE G 105      16.511  75.038  52.546  1.00  6.96           C  
-ATOM   7529  N   LEU G 106      16.507  74.582  46.526  1.00  8.39           N  
-ATOM   7530  CA  LEU G 106      16.881  75.859  45.938  1.00 12.55           C  
-ATOM   7531  C   LEU G 106      15.687  76.449  45.177  1.00 14.19           C  
-ATOM   7532  O   LEU G 106      15.460  77.655  45.209  1.00 13.73           O  
-ATOM   7533  CB  LEU G 106      18.065  75.670  45.007  1.00 14.34           C  
-ATOM   7534  CG  LEU G 106      19.298  75.195  45.764  1.00 14.63           C  
-ATOM   7535  CD1 LEU G 106      20.259  74.555  44.796  1.00  5.31           C  
-ATOM   7536  CD2 LEU G 106      19.931  76.370  46.515  1.00 15.60           C  
-ATOM   7537  N   VAL G 107      14.915  75.600  44.504  1.00 12.52           N  
-ATOM   7538  CA  VAL G 107      13.743  76.085  43.795  1.00 10.99           C  
-ATOM   7539  C   VAL G 107      12.753  76.727  44.768  1.00  9.37           C  
-ATOM   7540  O   VAL G 107      12.188  77.779  44.478  1.00  8.06           O  
-ATOM   7541  CB  VAL G 107      13.043  74.948  43.027  1.00 10.57           C  
-ATOM   7542  CG1 VAL G 107      11.579  75.306  42.755  1.00  7.97           C  
-ATOM   7543  CG2 VAL G 107      13.747  74.735  41.718  1.00  4.47           C  
-ATOM   7544  N   VAL G 108      12.552  76.092  45.921  1.00 11.43           N  
-ATOM   7545  CA  VAL G 108      11.626  76.603  46.933  1.00  8.61           C  
-ATOM   7546  C   VAL G 108      12.083  77.965  47.458  1.00 10.30           C  
-ATOM   7547  O   VAL G 108      11.286  78.896  47.520  1.00 11.17           O  
-ATOM   7548  CB  VAL G 108      11.466  75.586  48.104  1.00  7.86           C  
-ATOM   7549  CG1 VAL G 108      10.781  76.236  49.314  1.00  8.88           C  
-ATOM   7550  CG2 VAL G 108      10.630  74.393  47.625  1.00 11.31           C  
-ATOM   7551  N   VAL G 109      13.360  78.090  47.814  1.00  7.35           N  
-ATOM   7552  CA  VAL G 109      13.881  79.351  48.319  1.00  5.56           C  
-ATOM   7553  C   VAL G 109      13.714  80.422  47.234  1.00 10.96           C  
-ATOM   7554  O   VAL G 109      13.289  81.547  47.517  1.00  9.82           O  
-ATOM   7555  CB  VAL G 109      15.388  79.200  48.741  1.00  7.65           C  
-ATOM   7556  CG1 VAL G 109      16.016  80.549  49.066  1.00  4.50           C  
-ATOM   7557  CG2 VAL G 109      15.481  78.319  49.966  1.00 17.19           C  
-ATOM   7558  N   ALA G 110      14.023  80.071  45.989  1.00 13.32           N  
-ATOM   7559  CA  ALA G 110      13.899  81.020  44.879  1.00 15.57           C  
-ATOM   7560  C   ALA G 110      12.485  81.598  44.770  1.00 12.61           C  
-ATOM   7561  O   ALA G 110      12.299  82.798  44.584  1.00 10.23           O  
-ATOM   7562  CB  ALA G 110      14.285  80.347  43.563  1.00 16.56           C  
-ATOM   7563  N   ILE G 111      11.490  80.738  44.886  1.00  9.37           N  
-ATOM   7564  CA  ILE G 111      10.112  81.185  44.805  1.00  9.87           C  
-ATOM   7565  C   ILE G 111       9.666  82.105  45.949  1.00 11.26           C  
-ATOM   7566  O   ILE G 111       8.928  83.047  45.723  1.00  9.78           O  
-ATOM   7567  CB  ILE G 111       9.163  79.979  44.735  1.00  3.36           C  
-ATOM   7568  CG1 ILE G 111       9.350  79.265  43.398  1.00  8.77           C  
-ATOM   7569  CG2 ILE G 111       7.746  80.424  44.921  1.00  4.30           C  
-ATOM   7570  CD1 ILE G 111       8.315  78.208  43.101  1.00  3.36           C  
-ATOM   7571  N   HIS G 112      10.119  81.850  47.173  1.00 16.39           N  
-ATOM   7572  CA  HIS G 112       9.691  82.671  48.307  1.00 19.69           C  
-ATOM   7573  C   HIS G 112      10.614  83.818  48.742  1.00 18.37           C  
-ATOM   7574  O   HIS G 112      10.150  84.805  49.307  1.00 14.44           O  
-ATOM   7575  CB  HIS G 112       9.392  81.778  49.519  1.00 18.67           C  
-ATOM   7576  CG  HIS G 112       8.350  80.735  49.260  1.00 26.48           C  
-ATOM   7577  ND1 HIS G 112       7.730  80.033  50.270  1.00 34.47           N  
-ATOM   7578  CD2 HIS G 112       7.835  80.254  48.104  1.00 32.39           C  
-ATOM   7579  CE1 HIS G 112       6.881  79.165  49.749  1.00 35.03           C  
-ATOM   7580  NE2 HIS G 112       6.926  79.278  48.435  1.00 30.92           N  
-ATOM   7581  N   HIS G 113      11.912  83.695  48.501  1.00 16.96           N  
-ATOM   7582  CA  HIS G 113      12.828  84.749  48.904  1.00 13.93           C  
-ATOM   7583  C   HIS G 113      13.860  84.986  47.829  1.00 14.08           C  
-ATOM   7584  O   HIS G 113      15.059  84.944  48.078  1.00 13.65           O  
-ATOM   7585  CB  HIS G 113      13.527  84.384  50.210  1.00 15.80           C  
-ATOM   7586  CG  HIS G 113      12.602  84.248  51.381  1.00 20.09           C  
-ATOM   7587  ND1 HIS G 113      11.578  83.324  51.422  1.00 26.96           N  
-ATOM   7588  CD2 HIS G 113      12.588  84.874  52.579  1.00 21.27           C  
-ATOM   7589  CE1 HIS G 113      10.978  83.382  52.597  1.00 22.25           C  
-ATOM   7590  NE2 HIS G 113      11.572  84.315  53.317  1.00 26.51           N  
-ATOM   7591  N   PRO G 114      13.395  85.259  46.607  1.00 16.57           N  
-ATOM   7592  CA  PRO G 114      14.222  85.521  45.422  1.00 17.25           C  
-ATOM   7593  C   PRO G 114      15.332  86.554  45.634  1.00 18.76           C  
-ATOM   7594  O   PRO G 114      16.337  86.556  44.925  1.00 18.76           O  
-ATOM   7595  CB  PRO G 114      13.193  85.979  44.383  1.00 16.83           C  
-ATOM   7596  CG  PRO G 114      12.076  86.530  45.209  1.00 11.19           C  
-ATOM   7597  CD  PRO G 114      11.979  85.561  46.340  1.00 13.23           C  
-ATOM   7598  N   SER G 115      15.134  87.440  46.602  1.00 22.19           N  
-ATOM   7599  CA  SER G 115      16.112  88.472  46.908  1.00 22.63           C  
-ATOM   7600  C   SER G 115      17.153  87.882  47.831  1.00 21.38           C  
-ATOM   7601  O   SER G 115      18.307  88.294  47.824  1.00 23.58           O  
-ATOM   7602  CB  SER G 115      15.435  89.653  47.606  1.00 26.79           C  
-ATOM   7603  OG  SER G 115      14.578  89.192  48.648  1.00 37.83           O  
-ATOM   7604  N   ALA G 116      16.737  86.912  48.633  1.00 21.34           N  
-ATOM   7605  CA  ALA G 116      17.638  86.291  49.588  1.00 23.02           C  
-ATOM   7606  C   ALA G 116      18.583  85.338  48.902  1.00 25.02           C  
-ATOM   7607  O   ALA G 116      19.647  85.026  49.443  1.00 28.03           O  
-ATOM   7608  CB  ALA G 116      16.851  85.546  50.666  1.00 21.23           C  
-ATOM   7609  N   LEU G 117      18.208  84.888  47.705  1.00 25.29           N  
-ATOM   7610  CA  LEU G 117      19.029  83.927  46.961  1.00 19.80           C  
-ATOM   7611  C   LEU G 117      19.869  84.537  45.864  1.00 16.70           C  
-ATOM   7612  O   LEU G 117      19.755  84.147  44.710  1.00 19.21           O  
-ATOM   7613  CB  LEU G 117      18.150  82.834  46.350  1.00 13.92           C  
-ATOM   7614  CG  LEU G 117      18.922  81.651  45.773  1.00  9.87           C  
-ATOM   7615  CD1 LEU G 117      19.696  80.959  46.875  1.00 10.62           C  
-ATOM   7616  CD2 LEU G 117      17.968  80.687  45.121  1.00 11.43           C  
-ATOM   7617  N   THR G 118      20.718  85.489  46.221  1.00 16.20           N  
-ATOM   7618  CA  THR G 118      21.560  86.123  45.224  1.00 20.63           C  
-ATOM   7619  C   THR G 118      22.520  85.044  44.729  1.00 19.99           C  
-ATOM   7620  O   THR G 118      22.716  84.057  45.423  1.00 19.84           O  
-ATOM   7621  CB  THR G 118      22.317  87.318  45.833  1.00 21.86           C  
-ATOM   7622  OG1 THR G 118      23.239  86.863  46.826  1.00 23.29           O  
-ATOM   7623  CG2 THR G 118      21.328  88.272  46.486  1.00 27.23           C  
-ATOM   7624  N   ALA G 119      23.091  85.224  43.534  1.00 18.50           N  
-ATOM   7625  CA  ALA G 119      24.012  84.250  42.935  1.00 11.32           C  
-ATOM   7626  C   ALA G 119      25.164  83.846  43.833  1.00 16.01           C  
-ATOM   7627  O   ALA G 119      25.649  82.719  43.756  1.00 13.21           O  
-ATOM   7628  CB  ALA G 119      24.563  84.782  41.623  1.00  3.36           C  
-ATOM   7629  N   GLU G 120      25.617  84.766  44.677  1.00 24.86           N  
-ATOM   7630  CA  GLU G 120      26.726  84.482  45.583  1.00 25.28           C  
-ATOM   7631  C   GLU G 120      26.267  83.448  46.604  1.00 21.06           C  
-ATOM   7632  O   GLU G 120      26.916  82.430  46.819  1.00 20.00           O  
-ATOM   7633  CB  GLU G 120      27.167  85.766  46.282  1.00 35.13           C  
-ATOM   7634  CG  GLU G 120      28.664  85.911  46.393  1.00 47.20           C  
-ATOM   7635  CD  GLU G 120      29.089  87.302  46.822  1.00 56.74           C  
-ATOM   7636  OE1 GLU G 120      28.683  87.741  47.929  1.00 60.53           O  
-ATOM   7637  OE2 GLU G 120      29.832  87.949  46.044  1.00 56.33           O  
-ATOM   7638  N   VAL G 121      25.131  83.702  47.228  1.00 19.36           N  
-ATOM   7639  CA  VAL G 121      24.613  82.759  48.195  1.00 18.99           C  
-ATOM   7640  C   VAL G 121      24.404  81.419  47.485  1.00 17.91           C  
-ATOM   7641  O   VAL G 121      24.803  80.372  47.990  1.00 23.13           O  
-ATOM   7642  CB  VAL G 121      23.289  83.281  48.795  1.00 17.61           C  
-ATOM   7643  CG1 VAL G 121      22.675  82.242  49.735  1.00 21.62           C  
-ATOM   7644  CG2 VAL G 121      23.565  84.576  49.535  1.00 10.89           C  
-ATOM   7645  N   HIS G 122      23.803  81.466  46.303  1.00 13.51           N  
-ATOM   7646  CA  HIS G 122      23.529  80.276  45.508  1.00 10.75           C  
-ATOM   7647  C   HIS G 122      24.733  79.355  45.461  1.00 12.30           C  
-ATOM   7648  O   HIS G 122      24.603  78.148  45.554  1.00 12.71           O  
-ATOM   7649  CB  HIS G 122      23.136  80.680  44.084  1.00  3.36           C  
-ATOM   7650  CG  HIS G 122      22.640  79.546  43.246  1.00  3.36           C  
-ATOM   7651  ND1 HIS G 122      21.967  79.741  42.062  1.00  4.05           N  
-ATOM   7652  CD2 HIS G 122      22.684  78.205  43.432  1.00  8.19           C  
-ATOM   7653  CE1 HIS G 122      21.612  78.573  41.556  1.00  4.07           C  
-ATOM   7654  NE2 HIS G 122      22.034  77.624  42.368  1.00  4.74           N  
-ATOM   7655  N   ALA G 123      25.917  79.923  45.317  1.00 17.78           N  
-ATOM   7656  CA  ALA G 123      27.106  79.095  45.260  1.00 15.80           C  
-ATOM   7657  C   ALA G 123      27.445  78.566  46.663  1.00 14.69           C  
-ATOM   7658  O   ALA G 123      27.802  77.399  46.818  1.00  9.76           O  
-ATOM   7659  CB  ALA G 123      28.265  79.893  44.676  1.00 12.01           C  
-ATOM   7660  N   SER G 124      27.320  79.413  47.682  1.00 14.82           N  
-ATOM   7661  CA  SER G 124      27.624  78.979  49.039  1.00 15.68           C  
-ATOM   7662  C   SER G 124      26.667  77.873  49.448  1.00 16.80           C  
-ATOM   7663  O   SER G 124      27.062  76.904  50.092  1.00 14.64           O  
-ATOM   7664  CB  SER G 124      27.503  80.136  50.019  1.00 19.78           C  
-ATOM   7665  OG  SER G 124      28.394  81.181  49.686  1.00 21.34           O  
-ATOM   7666  N   LEU G 125      25.404  78.012  49.071  1.00 17.52           N  
-ATOM   7667  CA  LEU G 125      24.415  76.997  49.413  1.00 18.27           C  
-ATOM   7668  C   LEU G 125      24.724  75.683  48.726  1.00 18.13           C  
-ATOM   7669  O   LEU G 125      24.535  74.606  49.300  1.00 23.13           O  
-ATOM   7670  CB  LEU G 125      23.009  77.432  49.006  1.00 12.51           C  
-ATOM   7671  CG  LEU G 125      22.096  77.945  50.109  1.00 16.53           C  
-ATOM   7672  CD1 LEU G 125      20.681  78.010  49.551  1.00 13.61           C  
-ATOM   7673  CD2 LEU G 125      22.166  77.013  51.335  1.00  9.90           C  
-ATOM   7674  N   ASP G 126      25.198  75.774  47.492  1.00 14.05           N  
-ATOM   7675  CA  ASP G 126      25.495  74.588  46.720  1.00 14.32           C  
-ATOM   7676  C   ASP G 126      26.638  73.769  47.306  1.00 15.24           C  
-ATOM   7677  O   ASP G 126      26.590  72.532  47.315  1.00  9.62           O  
-ATOM   7678  CB  ASP G 126      25.784  74.975  45.279  1.00 14.89           C  
-ATOM   7679  CG  ASP G 126      25.927  73.778  44.390  1.00 17.19           C  
-ATOM   7680  OD1 ASP G 126      27.088  73.386  44.143  1.00 14.27           O  
-ATOM   7681  OD2 ASP G 126      24.882  73.230  43.959  1.00 10.74           O  
-ATOM   7682  N   LYS G 127      27.662  74.454  47.807  1.00 20.06           N  
-ATOM   7683  CA  LYS G 127      28.802  73.769  48.428  1.00 18.38           C  
-ATOM   7684  C   LYS G 127      28.348  73.162  49.768  1.00 16.95           C  
-ATOM   7685  O   LYS G 127      28.838  72.128  50.198  1.00 14.34           O  
-ATOM   7686  CB  LYS G 127      29.960  74.751  48.680  1.00 17.96           C  
-ATOM   7687  CG  LYS G 127      30.382  75.564  47.469  1.00 22.49           C  
-ATOM   7688  CD  LYS G 127      31.752  76.206  47.655  1.00 24.69           C  
-ATOM   7689  CE  LYS G 127      31.937  77.362  46.664  1.00 33.66           C  
-ATOM   7690  NZ  LYS G 127      31.369  77.072  45.298  1.00 28.92           N  
-ATOM   7691  N   PHE G 128      27.406  73.824  50.424  1.00 20.66           N  
-ATOM   7692  CA  PHE G 128      26.889  73.358  51.700  1.00 19.13           C  
-ATOM   7693  C   PHE G 128      26.186  72.030  51.500  1.00 20.59           C  
-ATOM   7694  O   PHE G 128      26.453  71.063  52.209  1.00 25.74           O  
-ATOM   7695  CB  PHE G 128      25.899  74.374  52.262  1.00 16.43           C  
-ATOM   7696  CG  PHE G 128      25.284  73.956  53.545  1.00  8.79           C  
-ATOM   7697  CD1 PHE G 128      26.054  73.860  54.691  1.00  5.65           C  
-ATOM   7698  CD2 PHE G 128      23.937  73.660  53.616  1.00  9.14           C  
-ATOM   7699  CE1 PHE G 128      25.490  73.481  55.891  1.00  7.05           C  
-ATOM   7700  CE2 PHE G 128      23.362  73.275  54.820  1.00 10.93           C  
-ATOM   7701  CZ  PHE G 128      24.140  73.188  55.959  1.00  7.48           C  
-ATOM   7702  N   LEU G 129      25.285  71.991  50.524  1.00 19.73           N  
-ATOM   7703  CA  LEU G 129      24.531  70.787  50.222  1.00 16.74           C  
-ATOM   7704  C   LEU G 129      25.394  69.618  49.738  1.00 18.09           C  
-ATOM   7705  O   LEU G 129      25.141  68.485  50.123  1.00 18.06           O  
-ATOM   7706  CB  LEU G 129      23.444  71.112  49.198  1.00 14.58           C  
-ATOM   7707  CG  LEU G 129      22.450  72.180  49.666  1.00 17.21           C  
-ATOM   7708  CD1 LEU G 129      21.463  72.538  48.552  1.00  9.73           C  
-ATOM   7709  CD2 LEU G 129      21.706  71.664  50.904  1.00 10.45           C  
-ATOM   7710  N   CYS G 130      26.404  69.871  48.899  1.00 22.63           N  
-ATOM   7711  CA  CYS G 130      27.244  68.768  48.430  1.00 23.74           C  
-ATOM   7712  C   CYS G 130      27.963  68.249  49.675  1.00 23.45           C  
-ATOM   7713  O   CYS G 130      28.124  67.036  49.837  1.00 28.54           O  
-ATOM   7714  CB  CYS G 130      28.256  69.209  47.321  1.00 21.91           C  
-ATOM   7715  SG  CYS G 130      28.369  68.115  45.778  1.00 10.04           S  
-ATOM   7716  N   ALA G 131      28.347  69.155  50.576  1.00 18.51           N  
-ATOM   7717  CA  ALA G 131      29.040  68.762  51.817  1.00 16.05           C  
-ATOM   7718  C   ALA G 131      28.141  67.898  52.665  1.00 16.05           C  
-ATOM   7719  O   ALA G 131      28.534  66.830  53.127  1.00 18.63           O  
-ATOM   7720  CB  ALA G 131      29.450  69.978  52.608  1.00 15.62           C  
-ATOM   7721  N   VAL G 132      26.926  68.378  52.876  1.00 15.57           N  
-ATOM   7722  CA  VAL G 132      25.944  67.641  53.648  1.00 14.25           C  
-ATOM   7723  C   VAL G 132      25.674  66.261  53.030  1.00 18.94           C  
-ATOM   7724  O   VAL G 132      25.825  65.236  53.697  1.00 17.25           O  
-ATOM   7725  CB  VAL G 132      24.648  68.445  53.730  1.00  5.20           C  
-ATOM   7726  CG1 VAL G 132      23.490  67.564  54.184  1.00  8.14           C  
-ATOM   7727  CG2 VAL G 132      24.853  69.572  54.688  1.00 10.30           C  
-ATOM   7728  N   GLY G 133      25.276  66.242  51.756  1.00 22.30           N  
-ATOM   7729  CA  GLY G 133      24.999  64.988  51.071  1.00 17.02           C  
-ATOM   7730  C   GLY G 133      26.202  64.059  51.104  1.00 16.69           C  
-ATOM   7731  O   GLY G 133      26.045  62.839  51.139  1.00 12.63           O  
-ATOM   7732  N   THR G 134      27.407  64.627  51.084  1.00 13.45           N  
-ATOM   7733  CA  THR G 134      28.593  63.789  51.139  1.00 15.27           C  
-ATOM   7734  C   THR G 134      28.545  63.027  52.431  1.00 13.30           C  
-ATOM   7735  O   THR G 134      28.480  61.828  52.399  1.00 16.85           O  
-ATOM   7736  CB  THR G 134      29.912  64.588  51.084  1.00 18.05           C  
-ATOM   7737  OG1 THR G 134      30.151  65.025  49.741  1.00 21.79           O  
-ATOM   7738  CG2 THR G 134      31.086  63.710  51.522  1.00  9.40           C  
-ATOM   7739  N   VAL G 135      28.562  63.737  53.557  1.00 14.18           N  
-ATOM   7740  CA  VAL G 135      28.495  63.143  54.893  1.00  6.90           C  
-ATOM   7741  C   VAL G 135      27.346  62.138  55.057  1.00  5.51           C  
-ATOM   7742  O   VAL G 135      27.538  61.068  55.640  1.00  4.07           O  
-ATOM   7743  CB  VAL G 135      28.365  64.277  55.967  1.00 10.81           C  
-ATOM   7744  CG1 VAL G 135      27.947  63.720  57.329  1.00  4.90           C  
-ATOM   7745  CG2 VAL G 135      29.687  65.020  56.077  1.00  8.19           C  
-ATOM   7746  N   LEU G 136      26.165  62.467  54.532  1.00  3.36           N  
-ATOM   7747  CA  LEU G 136      25.005  61.592  54.676  1.00  7.23           C  
-ATOM   7748  C   LEU G 136      25.061  60.268  53.945  1.00  8.50           C  
-ATOM   7749  O   LEU G 136      24.194  59.427  54.136  1.00  9.18           O  
-ATOM   7750  CB  LEU G 136      23.724  62.336  54.300  1.00 11.72           C  
-ATOM   7751  CG  LEU G 136      23.109  63.230  55.387  1.00 12.71           C  
-ATOM   7752  CD1 LEU G 136      22.755  62.424  56.596  1.00 14.30           C  
-ATOM   7753  CD2 LEU G 136      24.099  64.286  55.792  1.00 23.73           C  
-ATOM   7754  N   THR G 137      26.063  60.090  53.094  1.00 13.51           N  
-ATOM   7755  CA  THR G 137      26.264  58.835  52.365  1.00 17.29           C  
-ATOM   7756  C   THR G 137      27.716  58.513  52.631  1.00 21.09           C  
-ATOM   7757  O   THR G 137      28.131  57.366  52.625  1.00 16.02           O  
-ATOM   7758  CB  THR G 137      26.083  58.984  50.830  1.00 17.53           C  
-ATOM   7759  OG1 THR G 137      27.010  59.948  50.313  1.00  5.33           O  
-ATOM   7760  CG2 THR G 137      24.685  59.425  50.506  1.00 22.46           C  
-ATOM   7761  N   ALA G 138      28.461  59.578  52.907  1.00 35.26           N  
-ATOM   7762  CA  ALA G 138      29.901  59.556  53.160  1.00 45.33           C  
-ATOM   7763  C   ALA G 138      30.462  58.390  53.907  1.00 48.57           C  
-ATOM   7764  O   ALA G 138      31.670  58.205  53.864  1.00 51.78           O  
-ATOM   7765  CB  ALA G 138      30.360  60.853  53.866  1.00 48.67           C  
-ATOM   7766  N   LYS G 139      29.633  57.621  54.608  1.00 52.77           N  
-ATOM   7767  CA  LYS G 139      30.172  56.477  55.337  1.00 62.24           C  
-ATOM   7768  C   LYS G 139      31.245  55.867  54.417  1.00 66.45           C  
-ATOM   7769  O   LYS G 139      32.274  55.335  54.884  1.00 66.89           O  
-ATOM   7770  CB  LYS G 139      29.064  55.451  55.645  1.00 63.46           C  
-ATOM   7771  CG  LYS G 139      29.425  54.414  56.735  1.00 60.41           C  
-ATOM   7772  CD  LYS G 139      29.769  55.092  58.074  1.00 58.98           C  
-ATOM   7773  CE  LYS G 139      28.612  55.948  58.607  1.00 55.46           C  
-ATOM   7774  NZ  LYS G 139      28.979  56.769  59.809  1.00 48.65           N  
-ATOM   7775  N   TYR G 140      31.003  56.008  53.106  1.00 66.84           N  
-ATOM   7776  CA  TYR G 140      31.893  55.517  52.049  1.00 65.98           C  
-ATOM   7777  C   TYR G 140      33.110  56.455  51.817  1.00 62.09           C  
-ATOM   7778  O   TYR G 140      33.714  56.427  50.748  1.00 63.52           O  
-ATOM   7779  CB  TYR G 140      31.112  55.358  50.719  1.00 66.51           C  
-ATOM   7780  CG  TYR G 140      29.584  55.221  50.826  1.00 68.86           C  
-ATOM   7781  CD1 TYR G 140      28.736  56.091  50.120  1.00 67.86           C  
-ATOM   7782  CD2 TYR G 140      28.986  54.210  51.598  1.00 68.44           C  
-ATOM   7783  CE1 TYR G 140      27.334  55.962  50.175  1.00 68.28           C  
-ATOM   7784  CE2 TYR G 140      27.576  54.070  51.660  1.00 69.52           C  
-ATOM   7785  CZ  TYR G 140      26.760  54.952  50.945  1.00 71.00           C  
-ATOM   7786  OH  TYR G 140      25.382  54.831  50.995  1.00 69.63           O  
-ATOM   7787  N   ARG G 141      33.441  57.291  52.804  1.00 56.93           N  
-ATOM   7788  CA  ARG G 141      34.571  58.228  52.729  1.00 51.62           C  
-ATOM   7789  C   ARG G 141      35.183  58.491  54.099  1.00 49.53           C  
-ATOM   7790  O   ARG G 141      34.876  57.743  55.070  1.00 40.37           O  
-ATOM   7791  CB  ARG G 141      34.157  59.587  52.158  1.00 56.73           C  
-ATOM   7792  CG  ARG G 141      34.767  59.929  50.815  1.00 57.09           C  
-ATOM   7793  CD  ARG G 141      33.998  59.242  49.678  1.00 61.33           C  
-ATOM   7794  NE  ARG G 141      32.622  59.725  49.555  1.00 57.31           N  
-ATOM   7795  CZ  ARG G 141      31.614  59.358  50.344  1.00 55.21           C  
-ATOM   7796  NH1 ARG G 141      31.808  58.494  51.322  1.00 45.05           N  
-ATOM   7797  NH2 ARG G 141      30.405  59.871  50.161  1.00 59.14           N  
-ATOM   7798  OXT ARG G 141      35.966  59.473  54.155  1.00 43.46           O  
-TER    7799      ARG G 141                                                      
-ATOM   7800  N   VAL H   1      10.367  61.417  22.725  1.00 50.13           N  
-ATOM   7801  CA  VAL H   1       9.599  61.465  23.999  1.00 48.86           C  
-ATOM   7802  C   VAL H   1       8.112  61.700  23.727  1.00 50.26           C  
-ATOM   7803  O   VAL H   1       7.702  62.034  22.607  1.00 52.18           O  
-ATOM   7804  CB  VAL H   1      10.140  62.590  24.931  1.00 47.56           C  
-ATOM   7805  CG1 VAL H   1       9.449  62.533  26.290  1.00 46.07           C  
-ATOM   7806  CG2 VAL H   1      11.648  62.444  25.097  1.00 46.96           C  
-ATOM   7807  N   HIS H   2       7.308  61.528  24.762  1.00 46.95           N  
-ATOM   7808  CA  HIS H   2       5.878  61.713  24.650  1.00 45.79           C  
-ATOM   7809  C   HIS H   2       5.489  62.903  25.530  1.00 43.20           C  
-ATOM   7810  O   HIS H   2       5.862  62.947  26.702  1.00 44.97           O  
-ATOM   7811  CB  HIS H   2       5.193  60.422  25.107  1.00 51.59           C  
-ATOM   7812  CG  HIS H   2       3.729  60.564  25.380  1.00 59.42           C  
-ATOM   7813  ND1 HIS H   2       3.195  60.476  26.651  1.00 58.65           N  
-ATOM   7814  CD2 HIS H   2       2.682  60.771  24.546  1.00 61.04           C  
-ATOM   7815  CE1 HIS H   2       1.885  60.622  26.585  1.00 60.77           C  
-ATOM   7816  NE2 HIS H   2       1.547  60.802  25.321  1.00 61.95           N  
-ATOM   7817  N   TRP H   3       4.771  63.876  24.969  1.00 36.92           N  
-ATOM   7818  CA  TRP H   3       4.352  65.035  25.753  1.00 31.53           C  
-ATOM   7819  C   TRP H   3       2.846  65.033  26.009  1.00 33.65           C  
-ATOM   7820  O   TRP H   3       2.046  65.078  25.063  1.00 34.20           O  
-ATOM   7821  CB  TRP H   3       4.731  66.353  25.055  1.00 24.16           C  
-ATOM   7822  CG  TRP H   3       6.190  66.545  24.842  1.00 18.27           C  
-ATOM   7823  CD1 TRP H   3       6.907  66.193  23.735  1.00 22.14           C  
-ATOM   7824  CD2 TRP H   3       7.135  67.068  25.782  1.00 19.13           C  
-ATOM   7825  NE1 TRP H   3       8.246  66.460  23.927  1.00 19.78           N  
-ATOM   7826  CE2 TRP H   3       8.414  66.995  25.176  1.00 20.67           C  
-ATOM   7827  CE3 TRP H   3       7.031  67.587  27.076  1.00 18.86           C  
-ATOM   7828  CZ2 TRP H   3       9.577  67.421  25.823  1.00 17.14           C  
-ATOM   7829  CZ3 TRP H   3       8.190  68.012  27.719  1.00 21.01           C  
-ATOM   7830  CH2 TRP H   3       9.446  67.924  27.088  1.00 19.45           C  
-ATOM   7831  N   SER H   4       2.449  64.976  27.280  1.00 31.91           N  
-ATOM   7832  CA  SER H   4       1.027  65.010  27.580  1.00 33.76           C  
-ATOM   7833  C   SER H   4       0.510  66.391  27.113  1.00 35.73           C  
-ATOM   7834  O   SER H   4       1.274  67.362  27.034  1.00 34.82           O  
-ATOM   7835  CB  SER H   4       0.771  64.782  29.083  1.00 28.81           C  
-ATOM   7836  OG  SER H   4       1.290  65.823  29.895  1.00 26.45           O  
-ATOM   7837  N   ALA H   5      -0.776  66.471  26.782  1.00 35.16           N  
-ATOM   7838  CA  ALA H   5      -1.365  67.715  26.308  1.00 32.19           C  
-ATOM   7839  C   ALA H   5      -1.212  68.895  27.262  1.00 31.17           C  
-ATOM   7840  O   ALA H   5      -1.193  70.046  26.822  1.00 32.30           O  
-ATOM   7841  CB  ALA H   5      -2.820  67.496  25.987  1.00 32.98           C  
-ATOM   7842  N   GLU H   6      -1.110  68.617  28.560  1.00 32.30           N  
-ATOM   7843  CA  GLU H   6      -0.947  69.674  29.562  1.00 33.87           C  
-ATOM   7844  C   GLU H   6       0.508  70.098  29.603  1.00 31.79           C  
-ATOM   7845  O   GLU H   6       0.819  71.286  29.670  1.00 33.48           O  
-ATOM   7846  CB  GLU H   6      -1.390  69.203  30.949  1.00 35.42           C  
-ATOM   7847  CG  GLU H   6      -1.609  67.712  31.046  1.00 49.89           C  
-ATOM   7848  CD  GLU H   6      -2.726  67.211  30.124  1.00 58.10           C  
-ATOM   7849  OE1 GLU H   6      -2.452  66.324  29.272  1.00 61.15           O  
-ATOM   7850  OE2 GLU H   6      -3.876  67.702  30.257  1.00 59.08           O  
-ATOM   7851  N   GLU H   7       1.407  69.127  29.560  1.00 29.79           N  
-ATOM   7852  CA  GLU H   7       2.823  69.453  29.550  1.00 28.20           C  
-ATOM   7853  C   GLU H   7       3.079  70.550  28.528  1.00 25.57           C  
-ATOM   7854  O   GLU H   7       3.786  71.513  28.807  1.00 20.71           O  
-ATOM   7855  CB  GLU H   7       3.657  68.223  29.207  1.00 26.42           C  
-ATOM   7856  CG  GLU H   7       3.940  67.352  30.405  1.00 30.03           C  
-ATOM   7857  CD  GLU H   7       4.750  66.136  30.053  1.00 30.65           C  
-ATOM   7858  OE1 GLU H   7       5.184  65.429  30.991  1.00 28.64           O  
-ATOM   7859  OE2 GLU H   7       4.943  65.895  28.841  1.00 27.57           O  
-ATOM   7860  N   LYS H   8       2.493  70.403  27.344  1.00 27.62           N  
-ATOM   7861  CA  LYS H   8       2.666  71.407  26.304  1.00 27.83           C  
-ATOM   7862  C   LYS H   8       2.049  72.711  26.786  1.00 27.12           C  
-ATOM   7863  O   LYS H   8       2.694  73.755  26.755  1.00 28.12           O  
-ATOM   7864  CB  LYS H   8       2.015  70.942  24.997  1.00 29.04           C  
-ATOM   7865  CG  LYS H   8       2.593  69.628  24.484  1.00 33.31           C  
-ATOM   7866  CD  LYS H   8       2.121  69.280  23.079  1.00 34.73           C  
-ATOM   7867  CE  LYS H   8       2.758  67.976  22.603  1.00 35.15           C  
-ATOM   7868  NZ  LYS H   8       2.447  67.643  21.187  1.00 35.10           N  
-ATOM   7869  N   GLN H   9       0.804  72.637  27.248  1.00 27.64           N  
-ATOM   7870  CA  GLN H   9       0.085  73.799  27.765  1.00 27.76           C  
-ATOM   7871  C   GLN H   9       0.970  74.522  28.782  1.00 25.15           C  
-ATOM   7872  O   GLN H   9       1.313  75.699  28.607  1.00 20.20           O  
-ATOM   7873  CB  GLN H   9      -1.214  73.324  28.423  1.00 35.26           C  
-ATOM   7874  CG  GLN H   9      -2.026  74.374  29.153  1.00 44.85           C  
-ATOM   7875  CD  GLN H   9      -2.797  73.769  30.321  1.00 56.02           C  
-ATOM   7876  OE1 GLN H   9      -2.425  73.941  31.490  1.00 61.75           O  
-ATOM   7877  NE2 GLN H   9      -3.864  73.034  30.009  1.00 57.40           N  
-ATOM   7878  N   LEU H  10       1.343  73.797  29.834  1.00 21.28           N  
-ATOM   7879  CA  LEU H  10       2.194  74.314  30.898  1.00 21.36           C  
-ATOM   7880  C   LEU H  10       3.407  75.062  30.376  1.00 18.78           C  
-ATOM   7881  O   LEU H  10       3.753  76.125  30.875  1.00 19.94           O  
-ATOM   7882  CB  LEU H  10       2.691  73.166  31.776  1.00 25.93           C  
-ATOM   7883  CG  LEU H  10       1.845  72.604  32.915  1.00 20.26           C  
-ATOM   7884  CD1 LEU H  10       1.646  73.681  33.950  1.00 19.82           C  
-ATOM   7885  CD2 LEU H  10       0.515  72.114  32.385  1.00 28.38           C  
-ATOM   7886  N   ILE H  11       4.053  74.483  29.373  1.00 21.71           N  
-ATOM   7887  CA  ILE H  11       5.257  75.048  28.768  1.00 21.47           C  
-ATOM   7888  C   ILE H  11       5.053  76.276  27.895  1.00 22.25           C  
-ATOM   7889  O   ILE H  11       5.709  77.298  28.103  1.00 21.64           O  
-ATOM   7890  CB  ILE H  11       6.001  73.972  27.944  1.00 20.80           C  
-ATOM   7891  CG1 ILE H  11       6.613  72.945  28.896  1.00 19.36           C  
-ATOM   7892  CG2 ILE H  11       7.076  74.605  27.064  1.00 20.10           C  
-ATOM   7893  CD1 ILE H  11       7.106  71.690  28.228  1.00 18.08           C  
-ATOM   7894  N   THR H  12       4.157  76.184  26.919  1.00 23.92           N  
-ATOM   7895  CA  THR H  12       3.913  77.315  26.022  1.00 26.63           C  
-ATOM   7896  C   THR H  12       3.320  78.550  26.711  1.00 23.60           C  
-ATOM   7897  O   THR H  12       3.600  79.687  26.325  1.00 21.70           O  
-ATOM   7898  CB  THR H  12       3.007  76.905  24.871  1.00 27.83           C  
-ATOM   7899  OG1 THR H  12       1.783  76.385  25.396  1.00 27.20           O  
-ATOM   7900  CG2 THR H  12       3.697  75.857  24.021  1.00 24.64           C  
-ATOM   7901  N   GLY H  13       2.507  78.333  27.733  1.00 19.63           N  
-ATOM   7902  CA  GLY H  13       1.949  79.467  28.429  1.00 20.57           C  
-ATOM   7903  C   GLY H  13       3.063  80.251  29.092  1.00 20.98           C  
-ATOM   7904  O   GLY H  13       3.257  81.437  28.818  1.00 29.37           O  
-ATOM   7905  N   LEU H  14       3.808  79.578  29.959  1.00 17.81           N  
-ATOM   7906  CA  LEU H  14       4.903  80.207  30.683  1.00 17.53           C  
-ATOM   7907  C   LEU H  14       5.864  80.857  29.697  1.00 17.06           C  
-ATOM   7908  O   LEU H  14       6.419  81.935  29.951  1.00 14.86           O  
-ATOM   7909  CB  LEU H  14       5.650  79.164  31.547  1.00 13.06           C  
-ATOM   7910  CG  LEU H  14       6.556  79.757  32.642  1.00  8.91           C  
-ATOM   7911  CD1 LEU H  14       5.669  80.341  33.718  1.00  4.33           C  
-ATOM   7912  CD2 LEU H  14       7.490  78.724  33.223  1.00  5.27           C  
-ATOM   7913  N   TRP H  15       6.052  80.197  28.563  1.00 18.25           N  
-ATOM   7914  CA  TRP H  15       6.950  80.711  27.548  1.00 20.67           C  
-ATOM   7915  C   TRP H  15       6.580  82.147  27.185  1.00 16.98           C  
-ATOM   7916  O   TRP H  15       7.437  83.032  27.166  1.00 14.97           O  
-ATOM   7917  CB  TRP H  15       6.901  79.821  26.306  1.00 25.03           C  
-ATOM   7918  CG  TRP H  15       7.867  80.264  25.262  1.00 25.48           C  
-ATOM   7919  CD1 TRP H  15       7.590  80.580  23.964  1.00 26.65           C  
-ATOM   7920  CD2 TRP H  15       9.269  80.470  25.435  1.00 21.32           C  
-ATOM   7921  NE1 TRP H  15       8.736  80.972  23.318  1.00 25.18           N  
-ATOM   7922  CE2 TRP H  15       9.781  80.912  24.201  1.00 21.49           C  
-ATOM   7923  CE3 TRP H  15      10.143  80.323  26.515  1.00 18.99           C  
-ATOM   7924  CZ2 TRP H  15      11.131  81.209  24.017  1.00 23.02           C  
-ATOM   7925  CZ3 TRP H  15      11.495  80.620  26.328  1.00 14.74           C  
-ATOM   7926  CH2 TRP H  15      11.969  81.056  25.093  1.00 16.10           C  
-ATOM   7927  N   GLY H  16       5.294  82.362  26.908  1.00 15.73           N  
-ATOM   7928  CA  GLY H  16       4.790  83.682  26.555  1.00 15.07           C  
-ATOM   7929  C   GLY H  16       5.159  84.782  27.530  1.00 12.97           C  
-ATOM   7930  O   GLY H  16       5.354  85.921  27.128  1.00 17.64           O  
-ATOM   7931  N   LYS H  17       5.254  84.444  28.811  1.00 19.59           N  
-ATOM   7932  CA  LYS H  17       5.596  85.413  29.844  1.00 20.23           C  
-ATOM   7933  C   LYS H  17       7.100  85.679  29.960  1.00 22.57           C  
-ATOM   7934  O   LYS H  17       7.524  86.801  30.220  1.00 30.99           O  
-ATOM   7935  CB  LYS H  17       5.089  84.938  31.207  1.00 16.58           C  
-ATOM   7936  CG  LYS H  17       3.660  85.279  31.544  1.00 19.38           C  
-ATOM   7937  CD  LYS H  17       2.715  84.200  31.082  1.00 25.55           C  
-ATOM   7938  CE  LYS H  17       1.380  84.350  31.773  1.00 28.42           C  
-ATOM   7939  NZ  LYS H  17       1.582  84.351  33.247  1.00 31.21           N  
-ATOM   7940  N   VAL H  18       7.904  84.645  29.763  1.00 19.48           N  
-ATOM   7941  CA  VAL H  18       9.348  84.763  29.903  1.00 18.89           C  
-ATOM   7942  C   VAL H  18      10.081  85.895  29.214  1.00 17.20           C  
-ATOM   7943  O   VAL H  18       9.994  86.082  28.006  1.00 14.58           O  
-ATOM   7944  CB  VAL H  18      10.054  83.477  29.465  1.00 22.06           C  
-ATOM   7945  CG1 VAL H  18      11.535  83.543  29.833  1.00 15.87           C  
-ATOM   7946  CG2 VAL H  18       9.377  82.286  30.098  1.00 20.72           C  
-ATOM   7947  N   ASN H  19      10.839  86.628  30.010  1.00 15.94           N  
-ATOM   7948  CA  ASN H  19      11.655  87.707  29.505  1.00 16.90           C  
-ATOM   7949  C   ASN H  19      13.015  87.034  29.244  1.00 22.12           C  
-ATOM   7950  O   ASN H  19      13.873  86.963  30.130  1.00 19.21           O  
-ATOM   7951  CB  ASN H  19      11.796  88.769  30.581  1.00 20.76           C  
-ATOM   7952  CG  ASN H  19      12.601  89.960  30.120  1.00 21.57           C  
-ATOM   7953  OD1 ASN H  19      13.535  89.820  29.334  1.00 22.35           O  
-ATOM   7954  ND2 ASN H  19      12.256  91.142  30.621  1.00 17.95           N  
-ATOM   7955  N   VAL H  20      13.215  86.529  28.031  1.00 23.47           N  
-ATOM   7956  CA  VAL H  20      14.460  85.843  27.727  1.00 19.29           C  
-ATOM   7957  C   VAL H  20      15.693  86.668  28.082  1.00 14.96           C  
-ATOM   7958  O   VAL H  20      16.726  86.121  28.424  1.00 21.98           O  
-ATOM   7959  CB  VAL H  20      14.534  85.410  26.229  1.00 20.85           C  
-ATOM   7960  CG1 VAL H  20      13.235  84.739  25.809  1.00 12.91           C  
-ATOM   7961  CG2 VAL H  20      14.839  86.601  25.346  1.00 24.85           C  
-ATOM   7962  N   ALA H  21      15.582  87.982  28.031  1.00 15.12           N  
-ATOM   7963  CA  ALA H  21      16.722  88.855  28.329  1.00 18.76           C  
-ATOM   7964  C   ALA H  21      17.240  88.765  29.760  1.00 20.52           C  
-ATOM   7965  O   ALA H  21      18.432  88.527  29.985  1.00 17.47           O  
-ATOM   7966  CB  ALA H  21      16.359  90.289  28.011  1.00 20.83           C  
-ATOM   7967  N   ASP H  22      16.345  88.980  30.721  1.00 23.36           N  
-ATOM   7968  CA  ASP H  22      16.695  88.915  32.135  1.00 26.70           C  
-ATOM   7969  C   ASP H  22      16.999  87.493  32.573  1.00 23.48           C  
-ATOM   7970  O   ASP H  22      18.025  87.241  33.189  1.00 25.51           O  
-ATOM   7971  CB  ASP H  22      15.550  89.462  32.988  1.00 36.92           C  
-ATOM   7972  CG  ASP H  22      15.418  90.960  32.886  1.00 45.56           C  
-ATOM   7973  OD1 ASP H  22      15.955  91.529  31.908  1.00 52.59           O  
-ATOM   7974  OD2 ASP H  22      14.775  91.567  33.774  1.00 50.19           O  
-ATOM   7975  N   CYS H  23      16.107  86.565  32.252  1.00 18.79           N  
-ATOM   7976  CA  CYS H  23      16.302  85.182  32.645  1.00 18.17           C  
-ATOM   7977  C   CYS H  23      17.567  84.599  32.053  1.00 18.87           C  
-ATOM   7978  O   CYS H  23      18.366  84.000  32.774  1.00 18.53           O  
-ATOM   7979  CB  CYS H  23      15.087  84.344  32.250  1.00 23.28           C  
-ATOM   7980  SG  CYS H  23      13.572  84.752  33.187  1.00 15.83           S  
-ATOM   7981  N   GLY H  24      17.758  84.783  30.749  1.00 20.08           N  
-ATOM   7982  CA  GLY H  24      18.948  84.267  30.086  1.00 15.08           C  
-ATOM   7983  C   GLY H  24      20.240  84.759  30.713  1.00 12.35           C  
-ATOM   7984  O   GLY H  24      21.197  84.017  30.860  1.00 11.00           O  
-ATOM   7985  N   ALA H  25      20.264  86.021  31.110  1.00 16.84           N  
-ATOM   7986  CA  ALA H  25      21.464  86.608  31.706  1.00 15.68           C  
-ATOM   7987  C   ALA H  25      21.677  86.041  33.084  1.00  8.70           C  
-ATOM   7988  O   ALA H  25      22.772  85.609  33.423  1.00  5.11           O  
-ATOM   7989  CB  ALA H  25      21.325  88.131  31.779  1.00 19.20           C  
-ATOM   7990  N   GLU H  26      20.608  86.068  33.871  1.00  6.09           N  
-ATOM   7991  CA  GLU H  26      20.595  85.549  35.229  1.00  6.07           C  
-ATOM   7992  C   GLU H  26      21.145  84.105  35.246  1.00 14.08           C  
-ATOM   7993  O   GLU H  26      21.969  83.727  36.092  1.00 10.75           O  
-ATOM   7994  CB  GLU H  26      19.165  85.534  35.731  1.00  9.41           C  
-ATOM   7995  CG  GLU H  26      19.041  85.181  37.178  1.00 24.70           C  
-ATOM   7996  CD  GLU H  26      19.390  86.352  38.044  1.00 31.95           C  
-ATOM   7997  OE1 GLU H  26      18.498  87.200  38.249  1.00 42.49           O  
-ATOM   7998  OE2 GLU H  26      20.552  86.447  38.494  1.00 35.86           O  
-ATOM   7999  N   ALA H  27      20.684  83.297  34.298  1.00 16.78           N  
-ATOM   8000  CA  ALA H  27      21.122  81.912  34.198  1.00 15.45           C  
-ATOM   8001  C   ALA H  27      22.607  81.718  33.867  1.00 18.87           C  
-ATOM   8002  O   ALA H  27      23.340  81.123  34.660  1.00 22.78           O  
-ATOM   8003  CB  ALA H  27      20.273  81.181  33.185  1.00 10.10           C  
-ATOM   8004  N   LEU H  28      23.059  82.203  32.713  1.00 18.13           N  
-ATOM   8005  CA  LEU H  28      24.460  82.017  32.338  1.00 14.84           C  
-ATOM   8006  C   LEU H  28      25.382  82.570  33.420  1.00 11.70           C  
-ATOM   8007  O   LEU H  28      26.468  82.041  33.668  1.00 12.63           O  
-ATOM   8008  CB  LEU H  28      24.771  82.702  31.014  1.00 16.58           C  
-ATOM   8009  CG  LEU H  28      26.008  82.109  30.346  1.00 24.66           C  
-ATOM   8010  CD1 LEU H  28      25.591  80.840  29.604  1.00 27.05           C  
-ATOM   8011  CD2 LEU H  28      26.623  83.101  29.383  1.00 26.52           C  
-ATOM   8012  N   ALA H  29      24.951  83.640  34.069  1.00  4.88           N  
-ATOM   8013  CA  ALA H  29      25.757  84.225  35.125  1.00  6.72           C  
-ATOM   8014  C   ALA H  29      25.929  83.176  36.225  1.00  9.65           C  
-ATOM   8015  O   ALA H  29      27.045  82.753  36.549  1.00  3.36           O  
-ATOM   8016  CB  ALA H  29      25.061  85.452  35.683  1.00  9.69           C  
-ATOM   8017  N   ARG H  30      24.800  82.754  36.790  1.00 10.34           N  
-ATOM   8018  CA  ARG H  30      24.808  81.764  37.848  1.00 11.45           C  
-ATOM   8019  C   ARG H  30      25.625  80.516  37.499  1.00 13.91           C  
-ATOM   8020  O   ARG H  30      26.328  79.975  38.355  1.00 16.65           O  
-ATOM   8021  CB  ARG H  30      23.367  81.384  38.216  1.00 14.26           C  
-ATOM   8022  CG  ARG H  30      22.641  82.458  39.033  1.00 11.04           C  
-ATOM   8023  CD  ARG H  30      21.193  82.092  39.283  1.00  9.68           C  
-ATOM   8024  NE  ARG H  30      20.492  83.136  40.020  1.00 15.10           N  
-ATOM   8025  CZ  ARG H  30      20.631  83.361  41.322  1.00 12.46           C  
-ATOM   8026  NH1 ARG H  30      21.445  82.612  42.038  1.00 20.19           N  
-ATOM   8027  NH2 ARG H  30      19.968  84.341  41.909  1.00  3.36           N  
-ATOM   8028  N   LEU H  31      25.548  80.049  36.258  1.00 14.10           N  
-ATOM   8029  CA  LEU H  31      26.329  78.871  35.895  1.00 14.04           C  
-ATOM   8030  C   LEU H  31      27.804  79.180  36.109  1.00 13.76           C  
-ATOM   8031  O   LEU H  31      28.506  78.427  36.777  1.00 19.51           O  
-ATOM   8032  CB  LEU H  31      26.120  78.472  34.433  1.00 12.18           C  
-ATOM   8033  CG  LEU H  31      26.957  77.267  33.985  1.00  7.59           C  
-ATOM   8034  CD1 LEU H  31      26.261  75.975  34.375  1.00  3.60           C  
-ATOM   8035  CD2 LEU H  31      27.145  77.306  32.475  1.00 13.84           C  
-ATOM   8036  N   LEU H  32      28.269  80.293  35.556  1.00  5.66           N  
-ATOM   8037  CA  LEU H  32      29.663  80.640  35.700  1.00  6.82           C  
-ATOM   8038  C   LEU H  32      30.047  80.813  37.157  1.00  6.97           C  
-ATOM   8039  O   LEU H  32      31.128  80.415  37.560  1.00  9.68           O  
-ATOM   8040  CB  LEU H  32      29.990  81.921  34.920  1.00  8.57           C  
-ATOM   8041  CG  LEU H  32      29.657  81.941  33.421  1.00  4.89           C  
-ATOM   8042  CD1 LEU H  32      29.879  83.308  32.878  1.00  4.34           C  
-ATOM   8043  CD2 LEU H  32      30.493  80.963  32.677  1.00  4.65           C  
-ATOM   8044  N   ILE H  33      29.163  81.383  37.961  1.00 10.77           N  
-ATOM   8045  CA  ILE H  33      29.492  81.616  39.369  1.00 13.04           C  
-ATOM   8046  C   ILE H  33      29.513  80.386  40.293  1.00 14.17           C  
-ATOM   8047  O   ILE H  33      30.408  80.233  41.140  1.00 11.86           O  
-ATOM   8048  CB  ILE H  33      28.556  82.692  39.950  1.00 12.64           C  
-ATOM   8049  CG1 ILE H  33      28.791  83.996  39.183  1.00 12.01           C  
-ATOM   8050  CG2 ILE H  33      28.810  82.872  41.456  1.00  4.44           C  
-ATOM   8051  CD1 ILE H  33      27.698  85.007  39.320  1.00 21.81           C  
-ATOM   8052  N   VAL H  34      28.535  79.511  40.124  1.00 11.43           N  
-ATOM   8053  CA  VAL H  34      28.444  78.318  40.943  1.00 12.90           C  
-ATOM   8054  C   VAL H  34      29.426  77.212  40.526  1.00 12.97           C  
-ATOM   8055  O   VAL H  34      30.060  76.575  41.374  1.00 12.18           O  
-ATOM   8056  CB  VAL H  34      27.005  77.777  40.905  1.00 12.66           C  
-ATOM   8057  CG1 VAL H  34      26.908  76.468  41.688  1.00 10.55           C  
-ATOM   8058  CG2 VAL H  34      26.055  78.840  41.452  1.00  9.60           C  
-ATOM   8059  N   TYR H  35      29.538  76.983  39.219  1.00  9.30           N  
-ATOM   8060  CA  TYR H  35      30.423  75.966  38.693  1.00  3.36           C  
-ATOM   8061  C   TYR H  35      31.530  76.645  37.902  1.00  5.25           C  
-ATOM   8062  O   TYR H  35      31.563  76.599  36.679  1.00 10.14           O  
-ATOM   8063  CB  TYR H  35      29.638  75.020  37.816  1.00  3.36           C  
-ATOM   8064  CG  TYR H  35      28.385  74.523  38.472  1.00  8.67           C  
-ATOM   8065  CD1 TYR H  35      28.430  73.865  39.697  1.00  8.86           C  
-ATOM   8066  CD2 TYR H  35      27.137  74.720  37.874  1.00 15.00           C  
-ATOM   8067  CE1 TYR H  35      27.264  73.417  40.311  1.00 10.89           C  
-ATOM   8068  CE2 TYR H  35      25.961  74.271  38.477  1.00 15.13           C  
-ATOM   8069  CZ  TYR H  35      26.038  73.623  39.691  1.00 13.70           C  
-ATOM   8070  OH  TYR H  35      24.896  73.170  40.269  1.00  8.07           O  
-ATOM   8071  N   PRO H  36      32.478  77.262  38.611  1.00  6.53           N  
-ATOM   8072  CA  PRO H  36      33.637  77.993  38.102  1.00  9.19           C  
-ATOM   8073  C   PRO H  36      34.340  77.431  36.881  1.00 11.30           C  
-ATOM   8074  O   PRO H  36      34.682  78.176  35.977  1.00 15.61           O  
-ATOM   8075  CB  PRO H  36      34.564  78.037  39.309  1.00 10.24           C  
-ATOM   8076  CG  PRO H  36      33.607  78.095  40.449  1.00 13.26           C  
-ATOM   8077  CD  PRO H  36      32.603  77.059  40.066  1.00 11.28           C  
-ATOM   8078  N   TRP H  37      34.563  76.124  36.848  1.00 14.75           N  
-ATOM   8079  CA  TRP H  37      35.269  75.529  35.723  1.00 15.89           C  
-ATOM   8080  C   TRP H  37      34.651  75.837  34.366  1.00 16.21           C  
-ATOM   8081  O   TRP H  37      35.352  75.871  33.366  1.00 16.90           O  
-ATOM   8082  CB  TRP H  37      35.415  74.014  35.919  1.00 12.79           C  
-ATOM   8083  CG  TRP H  37      34.138  73.247  35.922  1.00  7.92           C  
-ATOM   8084  CD1 TRP H  37      33.470  72.725  34.839  1.00 10.10           C  
-ATOM   8085  CD2 TRP H  37      33.373  72.901  37.064  1.00  8.99           C  
-ATOM   8086  NE1 TRP H  37      32.332  72.077  35.246  1.00  3.36           N  
-ATOM   8087  CE2 TRP H  37      32.250  72.168  36.610  1.00  6.78           C  
-ATOM   8088  CE3 TRP H  37      33.523  73.136  38.438  1.00  3.36           C  
-ATOM   8089  CZ2 TRP H  37      31.299  71.669  37.480  1.00  3.36           C  
-ATOM   8090  CZ3 TRP H  37      32.582  72.641  39.291  1.00  3.36           C  
-ATOM   8091  CH2 TRP H  37      31.482  71.915  38.812  1.00  3.36           C  
-ATOM   8092  N   THR H  38      33.344  76.076  34.330  1.00 15.21           N  
-ATOM   8093  CA  THR H  38      32.682  76.396  33.070  1.00 15.60           C  
-ATOM   8094  C   THR H  38      33.237  77.673  32.429  1.00 14.84           C  
-ATOM   8095  O   THR H  38      33.091  77.889  31.216  1.00 14.63           O  
-ATOM   8096  CB  THR H  38      31.176  76.605  33.261  1.00 16.84           C  
-ATOM   8097  OG1 THR H  38      30.962  77.607  34.259  1.00 16.43           O  
-ATOM   8098  CG2 THR H  38      30.503  75.317  33.655  1.00 10.64           C  
-ATOM   8099  N   GLN H  39      33.843  78.527  33.245  1.00 11.36           N  
-ATOM   8100  CA  GLN H  39      34.422  79.768  32.741  1.00 17.69           C  
-ATOM   8101  C   GLN H  39      35.432  79.510  31.612  1.00 20.56           C  
-ATOM   8102  O   GLN H  39      35.600  80.324  30.706  1.00 16.61           O  
-ATOM   8103  CB  GLN H  39      35.112  80.517  33.867  1.00  7.57           C  
-ATOM   8104  CG  GLN H  39      34.158  81.173  34.805  1.00  9.72           C  
-ATOM   8105  CD  GLN H  39      34.890  81.848  35.928  1.00 10.69           C  
-ATOM   8106  OE1 GLN H  39      36.022  82.298  35.753  1.00 12.40           O  
-ATOM   8107  NE2 GLN H  39      34.252  81.936  37.087  1.00  3.36           N  
-ATOM   8108  N   ARG H  40      36.094  78.366  31.675  1.00 19.19           N  
-ATOM   8109  CA  ARG H  40      37.065  78.013  30.672  1.00 23.28           C  
-ATOM   8110  C   ARG H  40      36.568  78.132  29.228  1.00 25.64           C  
-ATOM   8111  O   ARG H  40      37.331  78.526  28.342  1.00 24.03           O  
-ATOM   8112  CB  ARG H  40      37.540  76.590  30.913  1.00 26.73           C  
-ATOM   8113  CG  ARG H  40      38.962  76.354  30.487  1.00 32.00           C  
-ATOM   8114  CD  ARG H  40      39.346  74.948  30.787  1.00 31.10           C  
-ATOM   8115  NE  ARG H  40      39.044  74.071  29.670  1.00 38.16           N  
-ATOM   8116  CZ  ARG H  40      39.936  73.725  28.748  1.00 38.08           C  
-ATOM   8117  NH1 ARG H  40      41.178  74.199  28.827  1.00 36.12           N  
-ATOM   8118  NH2 ARG H  40      39.594  72.887  27.772  1.00 37.89           N  
-ATOM   8119  N   PHE H  41      35.306  77.783  28.983  1.00 26.94           N  
-ATOM   8120  CA  PHE H  41      34.767  77.842  27.625  1.00 30.06           C  
-ATOM   8121  C   PHE H  41      34.398  79.252  27.175  1.00 32.52           C  
-ATOM   8122  O   PHE H  41      34.013  79.457  26.027  1.00 32.39           O  
-ATOM   8123  CB  PHE H  41      33.524  76.963  27.489  1.00 31.48           C  
-ATOM   8124  CG  PHE H  41      33.766  75.504  27.747  1.00 35.16           C  
-ATOM   8125  CD1 PHE H  41      33.684  74.990  29.038  1.00 35.81           C  
-ATOM   8126  CD2 PHE H  41      34.053  74.635  26.693  1.00 34.47           C  
-ATOM   8127  CE1 PHE H  41      33.877  73.634  29.277  1.00 33.74           C  
-ATOM   8128  CE2 PHE H  41      34.249  73.281  26.922  1.00 33.53           C  
-ATOM   8129  CZ  PHE H  41      34.159  72.779  28.217  1.00 36.52           C  
-ATOM   8130  N   PHE H  42      34.510  80.219  28.078  1.00 33.51           N  
-ATOM   8131  CA  PHE H  42      34.161  81.600  27.764  1.00 33.03           C  
-ATOM   8132  C   PHE H  42      35.320  82.555  28.024  1.00 34.63           C  
-ATOM   8133  O   PHE H  42      35.133  83.671  28.510  1.00 35.34           O  
-ATOM   8134  CB  PHE H  42      32.932  82.033  28.581  1.00 32.92           C  
-ATOM   8135  CG  PHE H  42      31.699  81.227  28.288  1.00 35.11           C  
-ATOM   8136  CD1 PHE H  42      31.099  80.456  29.280  1.00 32.36           C  
-ATOM   8137  CD2 PHE H  42      31.165  81.199  27.001  1.00 37.35           C  
-ATOM   8138  CE1 PHE H  42      29.994  79.667  28.996  1.00 30.95           C  
-ATOM   8139  CE2 PHE H  42      30.054  80.410  26.709  1.00 38.23           C  
-ATOM   8140  CZ  PHE H  42      29.470  79.643  27.709  1.00 33.79           C  
-ATOM   8141  N   SER H  43      36.523  82.107  27.700  1.00 37.07           N  
-ATOM   8142  CA  SER H  43      37.708  82.931  27.883  1.00 39.37           C  
-ATOM   8143  C   SER H  43      37.599  84.209  27.043  1.00 37.87           C  
-ATOM   8144  O   SER H  43      38.168  85.245  27.389  1.00 36.42           O  
-ATOM   8145  CB  SER H  43      38.934  82.133  27.460  1.00 42.02           C  
-ATOM   8146  OG  SER H  43      38.707  81.528  26.197  1.00 46.85           O  
-ATOM   8147  N   SER H  44      36.847  84.126  25.949  1.00 34.15           N  
-ATOM   8148  CA  SER H  44      36.659  85.252  25.048  1.00 29.71           C  
-ATOM   8149  C   SER H  44      35.719  86.325  25.573  1.00 25.71           C  
-ATOM   8150  O   SER H  44      35.360  87.229  24.837  1.00 28.72           O  
-ATOM   8151  CB  SER H  44      36.109  84.754  23.714  1.00 33.72           C  
-ATOM   8152  OG  SER H  44      34.752  84.356  23.847  1.00 38.26           O  
-ATOM   8153  N   PHE H  45      35.303  86.243  26.828  1.00 24.87           N  
-ATOM   8154  CA  PHE H  45      34.371  87.245  27.340  1.00 24.46           C  
-ATOM   8155  C   PHE H  45      35.034  88.254  28.255  1.00 26.04           C  
-ATOM   8156  O   PHE H  45      34.370  89.028  28.960  1.00 20.78           O  
-ATOM   8157  CB  PHE H  45      33.187  86.584  28.071  1.00 22.57           C  
-ATOM   8158  CG  PHE H  45      32.247  85.827  27.162  1.00 20.52           C  
-ATOM   8159  CD1 PHE H  45      30.967  85.485  27.596  1.00 22.20           C  
-ATOM   8160  CD2 PHE H  45      32.650  85.417  25.889  1.00 20.78           C  
-ATOM   8161  CE1 PHE H  45      30.097  84.743  26.775  1.00 20.91           C  
-ATOM   8162  CE2 PHE H  45      31.790  84.675  25.063  1.00 24.11           C  
-ATOM   8163  CZ  PHE H  45      30.510  84.339  25.510  1.00 19.61           C  
-ATOM   8164  N   GLY H  46      36.354  88.255  28.254  1.00 30.33           N  
-ATOM   8165  CA  GLY H  46      37.032  89.217  29.098  1.00 36.26           C  
-ATOM   8166  C   GLY H  46      36.900  88.974  30.593  1.00 36.35           C  
-ATOM   8167  O   GLY H  46      37.086  87.846  31.070  1.00 38.29           O  
-ATOM   8168  N   ASN H  47      36.558  90.018  31.341  1.00 32.22           N  
-ATOM   8169  CA  ASN H  47      36.490  89.864  32.781  1.00 37.19           C  
-ATOM   8170  C   ASN H  47      35.373  89.008  33.310  1.00 37.27           C  
-ATOM   8171  O   ASN H  47      34.216  89.174  32.944  1.00 40.03           O  
-ATOM   8172  CB  ASN H  47      36.430  91.208  33.503  1.00 40.16           C  
-ATOM   8173  CG  ASN H  47      36.646  91.060  35.013  1.00 45.99           C  
-ATOM   8174  OD1 ASN H  47      37.783  90.982  35.490  1.00 49.00           O  
-ATOM   8175  ND2 ASN H  47      35.554  90.991  35.763  1.00 45.93           N  
-ATOM   8176  N   LEU H  48      35.766  88.104  34.200  1.00 34.92           N  
-ATOM   8177  CA  LEU H  48      34.897  87.174  34.885  1.00 31.91           C  
-ATOM   8178  C   LEU H  48      35.607  87.042  36.229  1.00 38.81           C  
-ATOM   8179  O   LEU H  48      35.523  86.021  36.917  1.00 40.56           O  
-ATOM   8180  CB  LEU H  48      34.893  85.848  34.145  1.00 24.32           C  
-ATOM   8181  CG  LEU H  48      34.387  85.939  32.710  1.00 23.64           C  
-ATOM   8182  CD1 LEU H  48      34.540  84.588  32.037  1.00 26.44           C  
-ATOM   8183  CD2 LEU H  48      32.927  86.370  32.707  1.00 24.12           C  
-ATOM   8184  N   SER H  49      36.316  88.111  36.588  1.00 41.51           N  
-ATOM   8185  CA  SER H  49      37.103  88.156  37.812  1.00 40.01           C  
-ATOM   8186  C   SER H  49      36.318  87.993  39.094  1.00 39.32           C  
-ATOM   8187  O   SER H  49      36.857  87.501  40.077  1.00 42.02           O  
-ATOM   8188  CB  SER H  49      37.896  89.460  37.884  1.00 39.29           C  
-ATOM   8189  OG  SER H  49      38.735  89.475  39.026  1.00 38.15           O  
-ATOM   8190  N   SER H  50      35.060  88.413  39.106  1.00 37.54           N  
-ATOM   8191  CA  SER H  50      34.268  88.283  40.326  1.00 37.46           C  
-ATOM   8192  C   SER H  50      32.782  88.050  40.047  1.00 34.98           C  
-ATOM   8193  O   SER H  50      32.293  88.308  38.940  1.00 33.44           O  
-ATOM   8194  CB  SER H  50      34.442  89.527  41.205  1.00 37.24           C  
-ATOM   8195  OG  SER H  50      33.800  90.653  40.628  1.00 44.79           O  
-ATOM   8196  N   PRO H  51      32.047  87.551  41.049  1.00 31.20           N  
-ATOM   8197  CA  PRO H  51      30.621  87.305  40.846  1.00 33.77           C  
-ATOM   8198  C   PRO H  51      30.014  88.551  40.250  1.00 36.22           C  
-ATOM   8199  O   PRO H  51      29.602  88.569  39.089  1.00 36.44           O  
-ATOM   8200  CB  PRO H  51      30.105  87.059  42.254  1.00 31.87           C  
-ATOM   8201  CG  PRO H  51      31.289  86.477  42.947  1.00 33.08           C  
-ATOM   8202  CD  PRO H  51      32.427  87.323  42.451  1.00 28.84           C  
-ATOM   8203  N   THR H  52      30.002  89.603  41.059  1.00 40.77           N  
-ATOM   8204  CA  THR H  52      29.439  90.889  40.665  1.00 44.83           C  
-ATOM   8205  C   THR H  52      30.050  91.436  39.355  1.00 42.84           C  
-ATOM   8206  O   THR H  52      29.396  92.182  38.617  1.00 44.45           O  
-ATOM   8207  CB  THR H  52      29.579  91.910  41.834  1.00 45.24           C  
-ATOM   8208  OG1 THR H  52      28.725  93.033  41.585  1.00 47.98           O  
-ATOM   8209  CG2 THR H  52      31.029  92.364  42.001  1.00 40.24           C  
-ATOM   8210  N   ALA H  53      31.287  91.051  39.061  1.00 34.74           N  
-ATOM   8211  CA  ALA H  53      31.927  91.478  37.834  1.00 28.75           C  
-ATOM   8212  C   ALA H  53      31.323  90.691  36.675  1.00 33.13           C  
-ATOM   8213  O   ALA H  53      31.494  91.056  35.506  1.00 34.58           O  
-ATOM   8214  CB  ALA H  53      33.415  91.222  37.908  1.00 27.92           C  
-ATOM   8215  N   ILE H  54      30.621  89.604  37.004  1.00 35.37           N  
-ATOM   8216  CA  ILE H  54      29.988  88.742  35.998  1.00 38.96           C  
-ATOM   8217  C   ILE H  54      28.547  89.134  35.657  1.00 40.08           C  
-ATOM   8218  O   ILE H  54      28.143  89.091  34.483  1.00 42.91           O  
-ATOM   8219  CB  ILE H  54      30.001  87.252  36.437  1.00 35.54           C  
-ATOM   8220  CG1 ILE H  54      31.440  86.741  36.465  1.00 36.42           C  
-ATOM   8221  CG2 ILE H  54      29.171  86.403  35.474  1.00 33.47           C  
-ATOM   8222  CD1 ILE H  54      31.554  85.287  36.803  1.00 32.75           C  
-ATOM   8223  N   LEU H  55      27.772  89.498  36.674  1.00 37.57           N  
-ATOM   8224  CA  LEU H  55      26.389  89.901  36.443  1.00 39.56           C  
-ATOM   8225  C   LEU H  55      26.363  91.018  35.413  1.00 40.15           C  
-ATOM   8226  O   LEU H  55      25.516  91.030  34.511  1.00 39.24           O  
-ATOM   8227  CB  LEU H  55      25.740  90.407  37.734  1.00 40.45           C  
-ATOM   8228  CG  LEU H  55      25.473  89.435  38.894  1.00 39.36           C  
-ATOM   8229  CD1 LEU H  55      25.008  88.098  38.341  1.00 31.14           C  
-ATOM   8230  CD2 LEU H  55      26.725  89.259  39.730  1.00 39.26           C  
-ATOM   8231  N   GLY H  56      27.312  91.944  35.554  1.00 38.81           N  
-ATOM   8232  CA  GLY H  56      27.406  93.076  34.649  1.00 36.07           C  
-ATOM   8233  C   GLY H  56      27.883  92.804  33.235  1.00 32.93           C  
-ATOM   8234  O   GLY H  56      27.382  93.404  32.285  1.00 34.30           O  
-ATOM   8235  N   ASN H  57      28.850  91.907  33.083  1.00 33.31           N  
-ATOM   8236  CA  ASN H  57      29.377  91.603  31.760  1.00 34.45           C  
-ATOM   8237  C   ASN H  57      28.249  91.411  30.744  1.00 36.70           C  
-ATOM   8238  O   ASN H  57      27.469  90.465  30.837  1.00 40.22           O  
-ATOM   8239  CB  ASN H  57      30.266  90.365  31.823  1.00 30.16           C  
-ATOM   8240  CG  ASN H  57      30.943  90.075  30.507  1.00 31.29           C  
-ATOM   8241  OD1 ASN H  57      31.895  89.285  30.446  1.00 34.70           O  
-ATOM   8242  ND2 ASN H  57      30.457  90.709  29.435  1.00 26.69           N  
-ATOM   8243  N   PRO H  58      28.153  92.328  29.763  1.00 37.81           N  
-ATOM   8244  CA  PRO H  58      27.174  92.390  28.673  1.00 36.73           C  
-ATOM   8245  C   PRO H  58      27.328  91.280  27.640  1.00 35.31           C  
-ATOM   8246  O   PRO H  58      26.434  91.045  26.829  1.00 34.81           O  
-ATOM   8247  CB  PRO H  58      27.438  93.761  28.067  1.00 41.31           C  
-ATOM   8248  CG  PRO H  58      28.925  93.852  28.180  1.00 43.71           C  
-ATOM   8249  CD  PRO H  58      29.131  93.421  29.623  1.00 39.14           C  
-ATOM   8250  N   MET H  59      28.480  90.626  27.639  1.00 33.85           N  
-ATOM   8251  CA  MET H  59      28.700  89.525  26.715  1.00 37.65           C  
-ATOM   8252  C   MET H  59      27.993  88.306  27.303  1.00 38.08           C  
-ATOM   8253  O   MET H  59      27.399  87.475  26.590  1.00 34.27           O  
-ATOM   8254  CB  MET H  59      30.192  89.268  26.582  1.00 43.40           C  
-ATOM   8255  CG  MET H  59      30.826  90.086  25.492  1.00 49.92           C  
-ATOM   8256  SD  MET H  59      30.723  89.222  23.914  1.00 62.83           S  
-ATOM   8257  CE  MET H  59      28.917  89.181  23.663  1.00 55.56           C  
-ATOM   8258  N   VAL H  60      28.074  88.225  28.629  1.00 36.93           N  
-ATOM   8259  CA  VAL H  60      27.450  87.171  29.396  1.00 34.54           C  
-ATOM   8260  C   VAL H  60      25.958  87.342  29.173  1.00 34.74           C  
-ATOM   8261  O   VAL H  60      25.275  86.424  28.711  1.00 34.79           O  
-ATOM   8262  CB  VAL H  60      27.781  87.336  30.902  1.00 34.58           C  
-ATOM   8263  CG1 VAL H  60      26.962  86.355  31.738  1.00 36.93           C  
-ATOM   8264  CG2 VAL H  60      29.273  87.105  31.127  1.00 33.19           C  
-ATOM   8265  N   ARG H  61      25.474  88.545  29.487  1.00 34.46           N  
-ATOM   8266  CA  ARG H  61      24.065  88.910  29.346  1.00 29.64           C  
-ATOM   8267  C   ARG H  61      23.544  88.677  27.929  1.00 26.56           C  
-ATOM   8268  O   ARG H  61      22.435  88.165  27.745  1.00 25.11           O  
-ATOM   8269  CB  ARG H  61      23.872  90.374  29.755  1.00 27.58           C  
-ATOM   8270  CG  ARG H  61      24.267  90.650  31.206  1.00 34.75           C  
-ATOM   8271  CD  ARG H  61      23.982  92.091  31.599  1.00 45.01           C  
-ATOM   8272  NE  ARG H  61      22.593  92.444  31.330  1.00 52.08           N  
-ATOM   8273  CZ  ARG H  61      21.556  91.961  32.004  1.00 56.57           C  
-ATOM   8274  NH1 ARG H  61      21.756  91.107  32.999  1.00 59.66           N  
-ATOM   8275  NH2 ARG H  61      20.318  92.307  31.663  1.00 56.82           N  
-ATOM   8276  N   ALA H  62      24.347  89.043  26.934  1.00 25.02           N  
-ATOM   8277  CA  ALA H  62      23.970  88.859  25.540  1.00 23.15           C  
-ATOM   8278  C   ALA H  62      23.801  87.365  25.216  1.00 25.62           C  
-ATOM   8279  O   ALA H  62      22.732  86.922  24.761  1.00 20.92           O  
-ATOM   8280  CB  ALA H  62      25.032  89.480  24.644  1.00 29.46           C  
-ATOM   8281  N   HIS H  63      24.863  86.593  25.452  1.00 26.10           N  
-ATOM   8282  CA  HIS H  63      24.858  85.153  25.195  1.00 23.67           C  
-ATOM   8283  C   HIS H  63      23.747  84.476  26.018  1.00 24.44           C  
-ATOM   8284  O   HIS H  63      23.103  83.510  25.564  1.00 21.40           O  
-ATOM   8285  CB  HIS H  63      26.231  84.573  25.558  1.00 24.66           C  
-ATOM   8286  CG  HIS H  63      26.372  83.113  25.256  1.00 30.25           C  
-ATOM   8287  ND1 HIS H  63      26.496  82.630  23.973  1.00 26.61           N  
-ATOM   8288  CD2 HIS H  63      26.363  82.026  26.068  1.00 32.73           C  
-ATOM   8289  CE1 HIS H  63      26.555  81.311  24.004  1.00 30.66           C  
-ATOM   8290  NE2 HIS H  63      26.476  80.917  25.263  1.00 34.03           N  
-ATOM   8291  N   GLY H  64      23.534  84.995  27.229  1.00 22.80           N  
-ATOM   8292  CA  GLY H  64      22.506  84.465  28.105  1.00 18.19           C  
-ATOM   8293  C   GLY H  64      21.174  84.407  27.395  1.00 20.12           C  
-ATOM   8294  O   GLY H  64      20.532  83.358  27.352  1.00 18.73           O  
-ATOM   8295  N   LYS H  65      20.762  85.534  26.821  1.00 23.61           N  
-ATOM   8296  CA  LYS H  65      19.495  85.593  26.096  1.00 26.84           C  
-ATOM   8297  C   LYS H  65      19.538  84.766  24.807  1.00 25.69           C  
-ATOM   8298  O   LYS H  65      18.521  84.209  24.375  1.00 17.73           O  
-ATOM   8299  CB  LYS H  65      19.123  87.040  25.759  1.00 32.53           C  
-ATOM   8300  CG  LYS H  65      19.920  87.638  24.617  1.00 45.37           C  
-ATOM   8301  CD  LYS H  65      19.112  88.707  23.873  1.00 51.52           C  
-ATOM   8302  CE  LYS H  65      17.958  88.095  23.076  1.00 52.37           C  
-ATOM   8303  NZ  LYS H  65      17.130  89.138  22.403  1.00 51.69           N  
-ATOM   8304  N   LYS H  66      20.713  84.684  24.189  1.00 28.94           N  
-ATOM   8305  CA  LYS H  66      20.827  83.903  22.969  1.00 31.97           C  
-ATOM   8306  C   LYS H  66      20.539  82.441  23.321  1.00 30.24           C  
-ATOM   8307  O   LYS H  66      19.731  81.781  22.651  1.00 29.77           O  
-ATOM   8308  CB  LYS H  66      22.225  84.052  22.363  1.00 36.47           C  
-ATOM   8309  CG  LYS H  66      22.253  83.879  20.846  1.00 44.49           C  
-ATOM   8310  CD  LYS H  66      23.675  83.623  20.315  1.00 51.40           C  
-ATOM   8311  CE  LYS H  66      24.624  84.816  20.497  1.00 52.37           C  
-ATOM   8312  NZ  LYS H  66      24.369  85.931  19.523  1.00 52.36           N  
-ATOM   8313  N   VAL H  67      21.183  81.945  24.382  1.00 26.32           N  
-ATOM   8314  CA  VAL H  67      20.975  80.559  24.819  1.00 25.80           C  
-ATOM   8315  C   VAL H  67      19.508  80.283  25.135  1.00 26.62           C  
-ATOM   8316  O   VAL H  67      18.978  79.238  24.758  1.00 27.27           O  
-ATOM   8317  CB  VAL H  67      21.801  80.213  26.089  1.00 24.05           C  
-ATOM   8318  CG1 VAL H  67      21.148  79.061  26.848  1.00 11.04           C  
-ATOM   8319  CG2 VAL H  67      23.217  79.820  25.700  1.00 25.93           C  
-ATOM   8320  N   LEU H  68      18.859  81.223  25.825  1.00 26.33           N  
-ATOM   8321  CA  LEU H  68      17.465  81.065  26.214  1.00 23.76           C  
-ATOM   8322  C   LEU H  68      16.468  81.089  25.053  1.00 27.82           C  
-ATOM   8323  O   LEU H  68      15.492  80.332  25.057  1.00 28.47           O  
-ATOM   8324  CB  LEU H  68      17.103  82.121  27.255  1.00 16.69           C  
-ATOM   8325  CG  LEU H  68      15.753  81.929  27.959  1.00 19.98           C  
-ATOM   8326  CD1 LEU H  68      15.541  80.488  28.335  1.00 15.69           C  
-ATOM   8327  CD2 LEU H  68      15.720  82.788  29.201  1.00 18.87           C  
-ATOM   8328  N   THR H  69      16.706  81.939  24.056  1.00 29.20           N  
-ATOM   8329  CA  THR H  69      15.802  81.999  22.907  1.00 31.28           C  
-ATOM   8330  C   THR H  69      15.878  80.718  22.049  1.00 30.12           C  
-ATOM   8331  O   THR H  69      14.993  80.458  21.218  1.00 27.26           O  
-ATOM   8332  CB  THR H  69      16.104  83.231  22.023  1.00 30.94           C  
-ATOM   8333  OG1 THR H  69      17.520  83.359  21.862  1.00 37.13           O  
-ATOM   8334  CG2 THR H  69      15.557  84.494  22.659  1.00 31.14           C  
-ATOM   8335  N   SER H  70      16.930  79.925  22.246  1.00 24.11           N  
-ATOM   8336  CA  SER H  70      17.066  78.684  21.500  1.00 21.96           C  
-ATOM   8337  C   SER H  70      15.938  77.774  21.969  1.00 21.87           C  
-ATOM   8338  O   SER H  70      15.362  77.006  21.190  1.00 18.75           O  
-ATOM   8339  CB  SER H  70      18.418  78.023  21.783  1.00 25.87           C  
-ATOM   8340  OG  SER H  70      18.454  77.468  23.089  1.00 21.45           O  
-ATOM   8341  N   PHE H  71      15.619  77.862  23.257  1.00 24.13           N  
-ATOM   8342  CA  PHE H  71      14.537  77.053  23.797  1.00 24.00           C  
-ATOM   8343  C   PHE H  71      13.261  77.436  23.070  1.00 23.56           C  
-ATOM   8344  O   PHE H  71      12.292  76.679  23.047  1.00 23.21           O  
-ATOM   8345  CB  PHE H  71      14.389  77.273  25.302  1.00 22.20           C  
-ATOM   8346  CG  PHE H  71      15.401  76.526  26.120  1.00 22.73           C  
-ATOM   8347  CD1 PHE H  71      16.724  76.939  26.155  1.00 18.21           C  
-ATOM   8348  CD2 PHE H  71      15.031  75.384  26.835  1.00 21.66           C  
-ATOM   8349  CE1 PHE H  71      17.661  76.227  26.887  1.00 20.08           C  
-ATOM   8350  CE2 PHE H  71      15.963  74.666  27.570  1.00 14.34           C  
-ATOM   8351  CZ  PHE H  71      17.277  75.085  27.597  1.00 17.56           C  
-ATOM   8352  N   GLY H  72      13.271  78.626  22.477  1.00 24.72           N  
-ATOM   8353  CA  GLY H  72      12.126  79.086  21.719  1.00 22.19           C  
-ATOM   8354  C   GLY H  72      11.854  78.124  20.574  1.00 23.09           C  
-ATOM   8355  O   GLY H  72      10.699  77.871  20.236  1.00 14.51           O  
-ATOM   8356  N   ASP H  73      12.916  77.580  19.974  1.00 29.33           N  
-ATOM   8357  CA  ASP H  73      12.762  76.628  18.870  1.00 31.28           C  
-ATOM   8358  C   ASP H  73      12.374  75.258  19.422  1.00 30.86           C  
-ATOM   8359  O   ASP H  73      11.831  74.411  18.699  1.00 29.22           O  
-ATOM   8360  CB  ASP H  73      14.054  76.486  18.079  1.00 34.36           C  
-ATOM   8361  CG  ASP H  73      14.651  77.808  17.717  1.00 38.58           C  
-ATOM   8362  OD1 ASP H  73      13.894  78.688  17.259  1.00 41.43           O  
-ATOM   8363  OD2 ASP H  73      15.879  77.964  17.888  1.00 44.03           O  
-ATOM   8364  N   ALA H  74      12.676  75.031  20.697  1.00 24.51           N  
-ATOM   8365  CA  ALA H  74      12.305  73.773  21.311  1.00 21.99           C  
-ATOM   8366  C   ALA H  74      10.790  73.802  21.465  1.00 23.06           C  
-ATOM   8367  O   ALA H  74      10.102  72.921  20.965  1.00 23.94           O  
-ATOM   8368  CB  ALA H  74      12.981  73.618  22.661  1.00 21.99           C  
-ATOM   8369  N   VAL H  75      10.278  74.830  22.143  1.00 25.45           N  
-ATOM   8370  CA  VAL H  75       8.838  74.992  22.364  1.00 26.22           C  
-ATOM   8371  C   VAL H  75       8.097  75.003  21.032  1.00 30.68           C  
-ATOM   8372  O   VAL H  75       6.914  74.670  20.967  1.00 29.35           O  
-ATOM   8373  CB  VAL H  75       8.544  76.308  23.104  1.00 23.59           C  
-ATOM   8374  CG1 VAL H  75       7.055  76.456  23.345  1.00 24.88           C  
-ATOM   8375  CG2 VAL H  75       9.307  76.339  24.408  1.00 25.15           C  
-ATOM   8376  N   LYS H  76       8.823  75.397  19.985  1.00 34.56           N  
-ATOM   8377  CA  LYS H  76       8.343  75.478  18.601  1.00 38.40           C  
-ATOM   8378  C   LYS H  76       7.625  74.202  18.120  1.00 42.44           C  
-ATOM   8379  O   LYS H  76       6.530  74.261  17.556  1.00 44.31           O  
-ATOM   8380  CB  LYS H  76       9.545  75.772  17.682  1.00 41.58           C  
-ATOM   8381  CG  LYS H  76       9.277  76.615  16.448  1.00 42.40           C  
-ATOM   8382  CD  LYS H  76       9.194  78.090  16.810  1.00 53.85           C  
-ATOM   8383  CE  LYS H  76       7.832  78.474  17.412  1.00 60.61           C  
-ATOM   8384  NZ  LYS H  76       7.419  77.769  18.660  1.00 61.62           N  
-ATOM   8385  N   ASN H  77       8.272  73.058  18.336  1.00 44.71           N  
-ATOM   8386  CA  ASN H  77       7.764  71.745  17.946  1.00 44.53           C  
-ATOM   8387  C   ASN H  77       8.366  70.724  18.909  1.00 44.88           C  
-ATOM   8388  O   ASN H  77       9.322  70.021  18.579  1.00 41.85           O  
-ATOM   8389  CB  ASN H  77       8.193  71.428  16.515  1.00 48.76           C  
-ATOM   8390  CG  ASN H  77       9.639  71.844  16.233  1.00 56.81           C  
-ATOM   8391  OD1 ASN H  77      10.576  71.382  16.900  1.00 62.37           O  
-ATOM   8392  ND2 ASN H  77       9.825  72.727  15.247  1.00 53.83           N  
-ATOM   8393  N   LEU H  78       7.800  70.662  20.109  1.00 44.06           N  
-ATOM   8394  CA  LEU H  78       8.270  69.752  21.141  1.00 43.22           C  
-ATOM   8395  C   LEU H  78       8.451  68.298  20.681  1.00 42.77           C  
-ATOM   8396  O   LEU H  78       8.903  67.463  21.461  1.00 42.58           O  
-ATOM   8397  CB  LEU H  78       7.317  69.814  22.337  1.00 39.91           C  
-ATOM   8398  CG  LEU H  78       7.135  71.197  22.968  1.00 38.07           C  
-ATOM   8399  CD1 LEU H  78       6.016  71.155  24.003  1.00 35.64           C  
-ATOM   8400  CD2 LEU H  78       8.439  71.646  23.611  1.00 37.86           C  
-ATOM   8401  N   ASP H  79       8.097  67.995  19.432  1.00 43.15           N  
-ATOM   8402  CA  ASP H  79       8.247  66.638  18.883  1.00 42.39           C  
-ATOM   8403  C   ASP H  79       9.258  66.645  17.747  1.00 43.67           C  
-ATOM   8404  O   ASP H  79       9.065  65.965  16.745  1.00 45.93           O  
-ATOM   8405  CB  ASP H  79       6.920  66.134  18.324  1.00 39.80           C  
-ATOM   8406  CG  ASP H  79       5.872  65.979  19.382  1.00 40.00           C  
-ATOM   8407  OD1 ASP H  79       6.112  65.186  20.308  1.00 43.15           O  
-ATOM   8408  OD2 ASP H  79       4.816  66.643  19.291  1.00 38.71           O  
-ATOM   8409  N   ASN H  80      10.346  67.389  17.902  1.00 44.88           N  
-ATOM   8410  CA  ASN H  80      11.309  67.490  16.815  1.00 42.47           C  
-ATOM   8411  C   ASN H  80      12.627  68.068  17.285  1.00 40.71           C  
-ATOM   8412  O   ASN H  80      13.454  68.472  16.477  1.00 38.19           O  
-ATOM   8413  CB  ASN H  80      10.720  68.403  15.751  1.00 47.33           C  
-ATOM   8414  CG  ASN H  80      10.976  67.912  14.365  1.00 54.19           C  
-ATOM   8415  OD1 ASN H  80      10.745  66.735  14.064  1.00 52.00           O  
-ATOM   8416  ND2 ASN H  80      11.442  68.810  13.490  1.00 54.55           N  
-ATOM   8417  N   ILE H  81      12.807  68.104  18.597  1.00 41.33           N  
-ATOM   8418  CA  ILE H  81      14.005  68.661  19.211  1.00 42.24           C  
-ATOM   8419  C   ILE H  81      15.316  68.080  18.693  1.00 42.78           C  
-ATOM   8420  O   ILE H  81      16.258  68.825  18.396  1.00 40.14           O  
-ATOM   8421  CB  ILE H  81      13.942  68.491  20.736  1.00 42.48           C  
-ATOM   8422  CG1 ILE H  81      12.615  69.058  21.246  1.00 40.40           C  
-ATOM   8423  CG2 ILE H  81      15.123  69.203  21.394  1.00 45.76           C  
-ATOM   8424  CD1 ILE H  81      12.323  68.773  22.692  1.00 38.82           C  
-ATOM   8425  N   LYS H  82      15.382  66.756  18.594  1.00 42.28           N  
-ATOM   8426  CA  LYS H  82      16.587  66.096  18.105  1.00 44.22           C  
-ATOM   8427  C   LYS H  82      17.101  66.697  16.799  1.00 43.52           C  
-ATOM   8428  O   LYS H  82      18.246  67.155  16.724  1.00 42.24           O  
-ATOM   8429  CB  LYS H  82      16.322  64.602  17.912  1.00 49.85           C  
-ATOM   8430  CG  LYS H  82      17.292  63.907  16.953  1.00 58.85           C  
-ATOM   8431  CD  LYS H  82      16.787  63.949  15.500  1.00 62.25           C  
-ATOM   8432  CE  LYS H  82      17.889  63.647  14.468  1.00 64.78           C  
-ATOM   8433  NZ  LYS H  82      18.898  64.745  14.318  1.00 62.60           N  
-ATOM   8434  N   ASN H  83      16.242  66.699  15.780  1.00 44.54           N  
-ATOM   8435  CA  ASN H  83      16.591  67.216  14.453  1.00 45.09           C  
-ATOM   8436  C   ASN H  83      16.893  68.704  14.426  1.00 40.72           C  
-ATOM   8437  O   ASN H  83      17.707  69.157  13.626  1.00 40.45           O  
-ATOM   8438  CB  ASN H  83      15.460  66.928  13.460  1.00 49.22           C  
-ATOM   8439  CG  ASN H  83      14.870  65.535  13.632  1.00 53.51           C  
-ATOM   8440  OD1 ASN H  83      14.196  65.252  14.630  1.00 55.45           O  
-ATOM   8441  ND2 ASN H  83      15.126  64.655  12.665  1.00 49.19           N  
-ATOM   8442  N   THR H  84      16.233  69.454  15.300  1.00 38.64           N  
-ATOM   8443  CA  THR H  84      16.422  70.896  15.367  1.00 39.88           C  
-ATOM   8444  C   THR H  84      17.668  71.320  16.153  1.00 39.48           C  
-ATOM   8445  O   THR H  84      18.034  72.490  16.159  1.00 38.22           O  
-ATOM   8446  CB  THR H  84      15.189  71.590  15.996  1.00 40.34           C  
-ATOM   8447  OG1 THR H  84      15.124  71.277  17.392  1.00 44.42           O  
-ATOM   8448  CG2 THR H  84      13.905  71.116  15.326  1.00 38.82           C  
-ATOM   8449  N   PHE H  85      18.325  70.380  16.819  1.00 44.40           N  
-ATOM   8450  CA  PHE H  85      19.522  70.724  17.583  1.00 46.65           C  
-ATOM   8451  C   PHE H  85      20.749  69.933  17.171  1.00 49.49           C  
-ATOM   8452  O   PHE H  85      21.803  70.052  17.803  1.00 50.82           O  
-ATOM   8453  CB  PHE H  85      19.304  70.504  19.077  1.00 45.97           C  
-ATOM   8454  CG  PHE H  85      18.508  71.571  19.734  1.00 40.85           C  
-ATOM   8455  CD1 PHE H  85      17.124  71.590  19.624  1.00 40.45           C  
-ATOM   8456  CD2 PHE H  85      19.142  72.558  20.478  1.00 42.61           C  
-ATOM   8457  CE1 PHE H  85      16.370  72.580  20.252  1.00 42.43           C  
-ATOM   8458  CE2 PHE H  85      18.405  73.556  21.110  1.00 45.60           C  
-ATOM   8459  CZ  PHE H  85      17.010  73.566  20.998  1.00 44.89           C  
-ATOM   8460  N   ALA H  86      20.614  69.116  16.131  1.00 49.84           N  
-ATOM   8461  CA  ALA H  86      21.735  68.316  15.660  1.00 50.17           C  
-ATOM   8462  C   ALA H  86      22.958  69.210  15.432  1.00 50.18           C  
-ATOM   8463  O   ALA H  86      24.060  68.897  15.892  1.00 48.82           O  
-ATOM   8464  CB  ALA H  86      21.354  67.592  14.371  1.00 53.46           C  
-ATOM   8465  N   GLN H  87      22.753  70.324  14.728  1.00 49.37           N  
-ATOM   8466  CA  GLN H  87      23.826  71.282  14.438  1.00 51.32           C  
-ATOM   8467  C   GLN H  87      24.344  71.911  15.729  1.00 50.04           C  
-ATOM   8468  O   GLN H  87      25.519  72.296  15.833  1.00 49.34           O  
-ATOM   8469  CB  GLN H  87      23.335  72.394  13.491  1.00 52.78           C  
-ATOM   8470  CG  GLN H  87      21.817  72.481  13.328  1.00 59.25           C  
-ATOM   8471  CD  GLN H  87      21.052  72.235  14.629  1.00 62.31           C  
-ATOM   8472  OE1 GLN H  87      21.311  72.877  15.650  1.00 63.66           O  
-ATOM   8473  NE2 GLN H  87      20.102  71.298  14.590  1.00 63.17           N  
-ATOM   8474  N   LEU H  88      23.450  72.025  16.707  1.00 47.99           N  
-ATOM   8475  CA  LEU H  88      23.809  72.590  18.000  1.00 44.99           C  
-ATOM   8476  C   LEU H  88      24.619  71.561  18.782  1.00 42.26           C  
-ATOM   8477  O   LEU H  88      25.541  71.916  19.522  1.00 43.04           O  
-ATOM   8478  CB  LEU H  88      22.555  72.969  18.796  1.00 44.55           C  
-ATOM   8479  CG  LEU H  88      22.216  74.457  18.920  1.00 41.68           C  
-ATOM   8480  CD1 LEU H  88      23.493  75.258  19.135  1.00 39.28           C  
-ATOM   8481  CD2 LEU H  88      21.506  74.929  17.673  1.00 43.62           C  
-ATOM   8482  N   SER H  89      24.271  70.288  18.617  1.00 36.89           N  
-ATOM   8483  CA  SER H  89      24.988  69.235  19.309  1.00 39.01           C  
-ATOM   8484  C   SER H  89      26.372  69.108  18.703  1.00 37.34           C  
-ATOM   8485  O   SER H  89      27.354  68.916  19.409  1.00 38.46           O  
-ATOM   8486  CB  SER H  89      24.242  67.896  19.197  1.00 39.31           C  
-ATOM   8487  OG  SER H  89      24.417  67.293  17.929  1.00 37.10           O  
-ATOM   8488  N   GLU H  90      26.440  69.245  17.385  1.00 42.59           N  
-ATOM   8489  CA  GLU H  90      27.697  69.124  16.653  1.00 46.27           C  
-ATOM   8490  C   GLU H  90      28.834  70.005  17.168  1.00 44.40           C  
-ATOM   8491  O   GLU H  90      29.952  69.522  17.347  1.00 48.22           O  
-ATOM   8492  CB  GLU H  90      27.469  69.396  15.163  1.00 50.33           C  
-ATOM   8493  CG  GLU H  90      28.614  68.930  14.281  1.00 57.38           C  
-ATOM   8494  CD  GLU H  90      28.135  68.272  12.990  1.00 64.25           C  
-ATOM   8495  OE1 GLU H  90      28.912  67.479  12.408  1.00 67.84           O  
-ATOM   8496  OE2 GLU H  90      26.993  68.546  12.552  1.00 64.91           O  
-ATOM   8497  N   LEU H  91      28.572  71.288  17.404  1.00 41.90           N  
-ATOM   8498  CA  LEU H  91      29.636  72.151  17.896  1.00 41.08           C  
-ATOM   8499  C   LEU H  91      29.922  71.896  19.374  1.00 40.94           C  
-ATOM   8500  O   LEU H  91      31.081  71.826  19.783  1.00 39.94           O  
-ATOM   8501  CB  LEU H  91      29.304  73.626  17.637  1.00 40.49           C  
-ATOM   8502  CG  LEU H  91      28.053  74.275  18.223  1.00 46.90           C  
-ATOM   8503  CD1 LEU H  91      28.276  74.552  19.704  1.00 47.71           C  
-ATOM   8504  CD2 LEU H  91      27.770  75.589  17.492  1.00 47.83           C  
-ATOM   8505  N   HIS H  92      28.875  71.728  20.174  1.00 41.18           N  
-ATOM   8506  CA  HIS H  92      29.072  71.472  21.596  1.00 41.20           C  
-ATOM   8507  C   HIS H  92      29.808  70.143  21.834  1.00 40.73           C  
-ATOM   8508  O   HIS H  92      30.516  69.987  22.828  1.00 45.46           O  
-ATOM   8509  CB  HIS H  92      27.719  71.454  22.344  1.00 39.72           C  
-ATOM   8510  CG  HIS H  92      27.153  72.814  22.620  1.00 39.73           C  
-ATOM   8511  ND1 HIS H  92      26.147  73.376  21.860  1.00 39.43           N  
-ATOM   8512  CD2 HIS H  92      27.475  73.739  23.558  1.00 42.43           C  
-ATOM   8513  CE1 HIS H  92      25.876  74.588  22.316  1.00 38.36           C  
-ATOM   8514  NE2 HIS H  92      26.668  74.833  23.345  1.00 39.11           N  
-ATOM   8515  N   CYS H  93      29.660  69.202  20.909  1.00 38.27           N  
-ATOM   8516  CA  CYS H  93      30.263  67.876  21.038  1.00 40.35           C  
-ATOM   8517  C   CYS H  93      31.608  67.692  20.325  1.00 39.76           C  
-ATOM   8518  O   CYS H  93      32.636  67.407  20.955  1.00 38.16           O  
-ATOM   8519  CB  CYS H  93      29.252  66.831  20.530  1.00 39.66           C  
-ATOM   8520  SG  CYS H  93      29.743  65.098  20.642  1.00 51.63           S  
-ATOM   8521  N   ASP H  94      31.582  67.855  19.007  1.00 39.24           N  
-ATOM   8522  CA  ASP H  94      32.761  67.692  18.173  1.00 40.62           C  
-ATOM   8523  C   ASP H  94      33.683  68.897  18.245  1.00 40.35           C  
-ATOM   8524  O   ASP H  94      34.899  68.764  18.118  1.00 39.92           O  
-ATOM   8525  CB  ASP H  94      32.332  67.467  16.725  1.00 42.50           C  
-ATOM   8526  CG  ASP H  94      31.199  66.466  16.606  1.00 48.45           C  
-ATOM   8527  OD1 ASP H  94      30.687  66.280  15.481  1.00 54.36           O  
-ATOM   8528  OD2 ASP H  94      30.815  65.866  17.636  1.00 48.82           O  
-ATOM   8529  N   LYS H  95      33.111  70.078  18.446  1.00 39.56           N  
-ATOM   8530  CA  LYS H  95      33.932  71.274  18.512  1.00 42.35           C  
-ATOM   8531  C   LYS H  95      34.409  71.620  19.924  1.00 43.59           C  
-ATOM   8532  O   LYS H  95      35.557  71.328  20.264  1.00 45.86           O  
-ATOM   8533  CB  LYS H  95      33.188  72.453  17.885  1.00 46.50           C  
-ATOM   8534  CG  LYS H  95      33.939  73.796  17.929  1.00 55.42           C  
-ATOM   8535  CD  LYS H  95      35.347  73.744  17.320  1.00 54.12           C  
-ATOM   8536  CE  LYS H  95      36.422  73.705  18.411  1.00 55.52           C  
-ATOM   8537  NZ  LYS H  95      36.370  74.894  19.325  1.00 52.27           N  
-ATOM   8538  N   LEU H  96      33.549  72.225  20.747  1.00 42.98           N  
-ATOM   8539  CA  LEU H  96      33.936  72.598  22.116  1.00 39.92           C  
-ATOM   8540  C   LEU H  96      34.259  71.416  23.025  1.00 39.21           C  
-ATOM   8541  O   LEU H  96      35.101  71.535  23.917  1.00 37.14           O  
-ATOM   8542  CB  LEU H  96      32.843  73.435  22.784  1.00 40.30           C  
-ATOM   8543  CG  LEU H  96      32.433  74.762  22.142  1.00 40.06           C  
-ATOM   8544  CD1 LEU H  96      33.675  75.445  21.604  1.00 37.23           C  
-ATOM   8545  CD2 LEU H  96      31.419  74.533  21.028  1.00 40.28           C  
-ATOM   8546  N   HIS H  97      33.586  70.288  22.794  1.00 40.75           N  
-ATOM   8547  CA  HIS H  97      33.769  69.072  23.589  1.00 42.55           C  
-ATOM   8548  C   HIS H  97      33.296  69.268  25.027  1.00 41.56           C  
-ATOM   8549  O   HIS H  97      33.957  68.848  25.980  1.00 41.55           O  
-ATOM   8550  CB  HIS H  97      35.239  68.625  23.594  1.00 47.98           C  
-ATOM   8551  CG  HIS H  97      35.687  68.001  22.308  1.00 52.40           C  
-ATOM   8552  ND1 HIS H  97      36.171  68.739  21.248  1.00 53.68           N  
-ATOM   8553  CD2 HIS H  97      35.691  66.709  21.901  1.00 52.72           C  
-ATOM   8554  CE1 HIS H  97      36.454  67.928  20.244  1.00 53.38           C  
-ATOM   8555  NE2 HIS H  97      36.171  66.692  20.614  1.00 54.27           N  
-ATOM   8556  N   VAL H  98      32.157  69.931  25.177  1.00 37.62           N  
-ATOM   8557  CA  VAL H  98      31.593  70.158  26.493  1.00 32.13           C  
-ATOM   8558  C   VAL H  98      31.174  68.796  27.022  1.00 31.81           C  
-ATOM   8559  O   VAL H  98      30.620  67.971  26.286  1.00 30.02           O  
-ATOM   8560  CB  VAL H  98      30.342  71.059  26.417  1.00 28.88           C  
-ATOM   8561  CG1 VAL H  98      29.700  71.170  27.785  1.00 27.39           C  
-ATOM   8562  CG2 VAL H  98      30.721  72.427  25.893  1.00 28.61           C  
-ATOM   8563  N   ASP H  99      31.454  68.536  28.289  1.00 31.98           N  
-ATOM   8564  CA  ASP H  99      31.035  67.261  28.841  1.00 32.88           C  
-ATOM   8565  C   ASP H  99      29.531  67.369  29.095  1.00 30.21           C  
-ATOM   8566  O   ASP H  99      29.064  68.338  29.709  1.00 26.15           O  
-ATOM   8567  CB  ASP H  99      31.759  66.964  30.156  1.00 33.65           C  
-ATOM   8568  CG  ASP H  99      31.655  65.503  30.553  1.00 35.26           C  
-ATOM   8569  OD1 ASP H  99      32.568  64.727  30.174  1.00 32.42           O  
-ATOM   8570  OD2 ASP H  99      30.654  65.133  31.221  1.00 35.33           O  
-ATOM   8571  N   PRO H 100      28.750  66.395  28.602  1.00 29.42           N  
-ATOM   8572  CA  PRO H 100      27.297  66.416  28.799  1.00 27.39           C  
-ATOM   8573  C   PRO H 100      26.861  66.807  30.221  1.00 28.54           C  
-ATOM   8574  O   PRO H 100      25.797  67.399  30.409  1.00 30.79           O  
-ATOM   8575  CB  PRO H 100      26.891  64.993  28.424  1.00 28.29           C  
-ATOM   8576  CG  PRO H 100      27.804  64.711  27.267  1.00 29.69           C  
-ATOM   8577  CD  PRO H 100      29.147  65.265  27.738  1.00 25.88           C  
-ATOM   8578  N   GLU H 101      27.684  66.478  31.216  1.00 31.23           N  
-ATOM   8579  CA  GLU H 101      27.390  66.788  32.620  1.00 27.90           C  
-ATOM   8580  C   GLU H 101      27.083  68.277  32.849  1.00 26.02           C  
-ATOM   8581  O   GLU H 101      26.350  68.626  33.777  1.00 28.57           O  
-ATOM   8582  CB  GLU H 101      28.568  66.366  33.512  1.00 30.85           C  
-ATOM   8583  CG  GLU H 101      28.256  65.285  34.535  1.00 39.98           C  
-ATOM   8584  CD  GLU H 101      27.217  65.716  35.570  1.00 46.09           C  
-ATOM   8585  OE1 GLU H 101      26.024  65.816  35.220  1.00 48.80           O  
-ATOM   8586  OE2 GLU H 101      27.592  65.960  36.737  1.00 49.04           O  
-ATOM   8587  N   ASN H 102      27.637  69.158  32.018  1.00 20.54           N  
-ATOM   8588  CA  ASN H 102      27.370  70.578  32.189  1.00 17.43           C  
-ATOM   8589  C   ASN H 102      26.007  70.985  31.631  1.00 17.37           C  
-ATOM   8590  O   ASN H 102      25.414  71.959  32.098  1.00 17.14           O  
-ATOM   8591  CB  ASN H 102      28.461  71.416  31.541  1.00 14.07           C  
-ATOM   8592  CG  ASN H 102      29.827  71.039  32.020  1.00 16.33           C  
-ATOM   8593  OD1 ASN H 102      30.510  70.239  31.385  1.00 20.95           O  
-ATOM   8594  ND2 ASN H 102      30.237  71.595  33.158  1.00 15.48           N  
-ATOM   8595  N   PHE H 103      25.509  70.249  30.637  1.00 17.96           N  
-ATOM   8596  CA  PHE H 103      24.203  70.559  30.055  1.00 18.92           C  
-ATOM   8597  C   PHE H 103      23.200  70.385  31.185  1.00 17.52           C  
-ATOM   8598  O   PHE H 103      22.317  71.206  31.399  1.00 16.21           O  
-ATOM   8599  CB  PHE H 103      23.840  69.595  28.919  1.00 18.35           C  
-ATOM   8600  CG  PHE H 103      24.818  69.575  27.772  1.00 22.27           C  
-ATOM   8601  CD1 PHE H 103      25.561  70.709  27.429  1.00 28.11           C  
-ATOM   8602  CD2 PHE H 103      24.954  68.426  26.990  1.00 21.93           C  
-ATOM   8603  CE1 PHE H 103      26.422  70.695  26.322  1.00 24.00           C  
-ATOM   8604  CE2 PHE H 103      25.803  68.401  25.891  1.00 23.46           C  
-ATOM   8605  CZ  PHE H 103      26.542  69.541  25.554  1.00 22.34           C  
-ATOM   8606  N   ARG H 104      23.350  69.286  31.901  1.00 16.86           N  
-ATOM   8607  CA  ARG H 104      22.496  69.000  33.026  1.00 18.81           C  
-ATOM   8608  C   ARG H 104      22.606  70.195  33.984  1.00 19.83           C  
-ATOM   8609  O   ARG H 104      21.589  70.765  34.392  1.00 21.39           O  
-ATOM   8610  CB  ARG H 104      22.973  67.695  33.694  1.00 23.95           C  
-ATOM   8611  CG  ARG H 104      22.302  67.311  35.017  1.00 25.42           C  
-ATOM   8612  CD  ARG H 104      22.692  68.262  36.134  1.00 32.57           C  
-ATOM   8613  NE  ARG H 104      22.182  67.862  37.442  1.00 43.98           N  
-ATOM   8614  CZ  ARG H 104      22.731  66.919  38.202  1.00 47.98           C  
-ATOM   8615  NH1 ARG H 104      23.816  66.274  37.777  1.00 51.90           N  
-ATOM   8616  NH2 ARG H 104      22.203  66.631  39.389  1.00 46.63           N  
-ATOM   8617  N   LEU H 105      23.841  70.573  34.323  1.00 14.61           N  
-ATOM   8618  CA  LEU H 105      24.092  71.679  35.239  1.00 10.79           C  
-ATOM   8619  C   LEU H 105      23.337  72.959  34.894  1.00 14.06           C  
-ATOM   8620  O   LEU H 105      22.645  73.527  35.735  1.00 15.57           O  
-ATOM   8621  CB  LEU H 105      25.585  71.966  35.302  1.00  8.17           C  
-ATOM   8622  CG  LEU H 105      26.422  70.881  35.970  1.00  9.64           C  
-ATOM   8623  CD1 LEU H 105      27.897  71.267  35.997  1.00  4.59           C  
-ATOM   8624  CD2 LEU H 105      25.907  70.698  37.386  1.00 14.30           C  
-ATOM   8625  N   LEU H 106      23.473  73.414  33.654  1.00 18.07           N  
-ATOM   8626  CA  LEU H 106      22.804  74.631  33.204  1.00 17.20           C  
-ATOM   8627  C   LEU H 106      21.289  74.508  33.280  1.00 17.70           C  
-ATOM   8628  O   LEU H 106      20.602  75.412  33.755  1.00 15.88           O  
-ATOM   8629  CB  LEU H 106      23.207  74.949  31.771  1.00 17.70           C  
-ATOM   8630  CG  LEU H 106      22.473  76.159  31.194  1.00 17.16           C  
-ATOM   8631  CD1 LEU H 106      22.689  77.358  32.085  1.00 12.82           C  
-ATOM   8632  CD2 LEU H 106      22.971  76.438  29.796  1.00 19.69           C  
-ATOM   8633  N   GLY H 107      20.780  73.381  32.791  1.00 19.60           N  
-ATOM   8634  CA  GLY H 107      19.353  73.126  32.824  1.00 16.99           C  
-ATOM   8635  C   GLY H 107      18.800  73.296  34.231  1.00 20.92           C  
-ATOM   8636  O   GLY H 107      17.708  73.864  34.416  1.00 23.22           O  
-ATOM   8637  N   ASP H 108      19.540  72.812  35.226  1.00 14.75           N  
-ATOM   8638  CA  ASP H 108      19.103  72.938  36.605  1.00 15.64           C  
-ATOM   8639  C   ASP H 108      19.039  74.403  37.021  1.00 17.49           C  
-ATOM   8640  O   ASP H 108      18.047  74.844  37.597  1.00 20.00           O  
-ATOM   8641  CB  ASP H 108      20.040  72.176  37.543  1.00 22.85           C  
-ATOM   8642  CG  ASP H 108      19.745  70.686  37.590  1.00 26.25           C  
-ATOM   8643  OD1 ASP H 108      20.516  69.970  38.273  1.00 22.61           O  
-ATOM   8644  OD2 ASP H 108      18.752  70.240  36.956  1.00 25.83           O  
-ATOM   8645  N   ILE H 109      20.089  75.167  36.736  1.00 15.11           N  
-ATOM   8646  CA  ILE H 109      20.080  76.577  37.104  1.00 13.69           C  
-ATOM   8647  C   ILE H 109      18.877  77.273  36.459  1.00 14.84           C  
-ATOM   8648  O   ILE H 109      18.131  77.999  37.117  1.00 13.62           O  
-ATOM   8649  CB  ILE H 109      21.407  77.239  36.690  1.00  8.73           C  
-ATOM   8650  CG1 ILE H 109      22.479  76.782  37.672  1.00  3.36           C  
-ATOM   8651  CG2 ILE H 109      21.278  78.770  36.668  1.00  5.01           C  
-ATOM   8652  CD1 ILE H 109      23.854  77.131  37.283  1.00  6.06           C  
-ATOM   8653  N   LEU H 110      18.688  77.020  35.172  1.00 12.57           N  
-ATOM   8654  CA  LEU H 110      17.583  77.588  34.428  1.00  8.49           C  
-ATOM   8655  C   LEU H 110      16.268  77.412  35.201  1.00  6.91           C  
-ATOM   8656  O   LEU H 110      15.474  78.347  35.339  1.00  3.36           O  
-ATOM   8657  CB  LEU H 110      17.525  76.913  33.058  1.00  4.22           C  
-ATOM   8658  CG  LEU H 110      16.505  77.402  32.048  1.00  3.36           C  
-ATOM   8659  CD1 LEU H 110      15.224  76.632  32.228  1.00 13.54           C  
-ATOM   8660  CD2 LEU H 110      16.285  78.887  32.223  1.00  3.36           C  
-ATOM   8661  N   ILE H 111      16.038  76.211  35.717  1.00  8.22           N  
-ATOM   8662  CA  ILE H 111      14.810  75.951  36.475  1.00  9.02           C  
-ATOM   8663  C   ILE H 111      14.700  76.868  37.692  1.00  7.10           C  
-ATOM   8664  O   ILE H 111      13.662  77.445  37.939  1.00  8.93           O  
-ATOM   8665  CB  ILE H 111      14.742  74.513  36.999  1.00  7.82           C  
-ATOM   8666  CG1 ILE H 111      14.844  73.510  35.846  1.00  4.53           C  
-ATOM   8667  CG2 ILE H 111      13.462  74.345  37.798  1.00  6.68           C  
-ATOM   8668  CD1 ILE H 111      13.711  73.577  34.853  1.00  3.36           C  
-ATOM   8669  N   ILE H 112      15.775  76.982  38.460  1.00  6.90           N  
-ATOM   8670  CA  ILE H 112      15.784  77.831  39.632  1.00  5.61           C  
-ATOM   8671  C   ILE H 112      15.464  79.279  39.254  1.00  9.80           C  
-ATOM   8672  O   ILE H 112      14.703  79.949  39.940  1.00 15.49           O  
-ATOM   8673  CB  ILE H 112      17.151  77.800  40.335  1.00  5.58           C  
-ATOM   8674  CG1 ILE H 112      17.465  76.386  40.819  1.00  3.76           C  
-ATOM   8675  CG2 ILE H 112      17.146  78.740  41.528  1.00  8.42           C  
-ATOM   8676  CD1 ILE H 112      18.780  76.294  41.568  1.00  7.14           C  
-ATOM   8677  N   VAL H 113      16.043  79.763  38.163  1.00 14.09           N  
-ATOM   8678  CA  VAL H 113      15.805  81.134  37.721  1.00  9.70           C  
-ATOM   8679  C   VAL H 113      14.328  81.362  37.431  1.00 11.23           C  
-ATOM   8680  O   VAL H 113      13.757  82.352  37.870  1.00 12.33           O  
-ATOM   8681  CB  VAL H 113      16.643  81.474  36.463  1.00  8.48           C  
-ATOM   8682  CG1 VAL H 113      16.168  82.772  35.850  1.00 13.43           C  
-ATOM   8683  CG2 VAL H 113      18.102  81.619  36.840  1.00 10.54           C  
-ATOM   8684  N   LEU H 114      13.705  80.458  36.685  1.00 11.36           N  
-ATOM   8685  CA  LEU H 114      12.293  80.603  36.394  1.00  8.63           C  
-ATOM   8686  C   LEU H 114      11.517  80.637  37.710  1.00 10.26           C  
-ATOM   8687  O   LEU H 114      10.655  81.492  37.906  1.00 11.44           O  
-ATOM   8688  CB  LEU H 114      11.817  79.452  35.513  1.00  8.50           C  
-ATOM   8689  CG  LEU H 114      12.380  79.530  34.095  1.00  6.73           C  
-ATOM   8690  CD1 LEU H 114      11.968  78.312  33.301  1.00 10.86           C  
-ATOM   8691  CD2 LEU H 114      11.877  80.788  33.426  1.00  3.36           C  
-ATOM   8692  N   ALA H 115      11.837  79.732  38.625  1.00  7.59           N  
-ATOM   8693  CA  ALA H 115      11.155  79.695  39.923  1.00 11.82           C  
-ATOM   8694  C   ALA H 115      11.200  81.013  40.700  1.00 12.29           C  
-ATOM   8695  O   ALA H 115      10.284  81.318  41.468  1.00  8.52           O  
-ATOM   8696  CB  ALA H 115      11.737  78.602  40.782  1.00 18.97           C  
-ATOM   8697  N   ALA H 116      12.266  81.785  40.515  1.00  8.55           N  
-ATOM   8698  CA  ALA H 116      12.395  83.054  41.210  1.00 10.56           C  
-ATOM   8699  C   ALA H 116      11.645  84.192  40.503  1.00 18.79           C  
-ATOM   8700  O   ALA H 116      11.295  85.188  41.136  1.00 19.56           O  
-ATOM   8701  CB  ALA H 116      13.862  83.411  41.376  1.00  3.36           C  
-ATOM   8702  N   HIS H 117      11.383  84.039  39.205  1.00 19.90           N  
-ATOM   8703  CA  HIS H 117      10.694  85.068  38.449  1.00 18.25           C  
-ATOM   8704  C   HIS H 117       9.181  84.893  38.351  1.00 18.78           C  
-ATOM   8705  O   HIS H 117       8.447  85.862  38.172  1.00 19.10           O  
-ATOM   8706  CB  HIS H 117      11.309  85.175  37.054  1.00 30.38           C  
-ATOM   8707  CG  HIS H 117      12.652  85.841  37.043  1.00 40.50           C  
-ATOM   8708  ND1 HIS H 117      13.408  85.980  35.899  1.00 44.98           N  
-ATOM   8709  CD2 HIS H 117      13.370  86.412  38.040  1.00 43.57           C  
-ATOM   8710  CE1 HIS H 117      14.534  86.606  36.193  1.00 48.67           C  
-ATOM   8711  NE2 HIS H 117      14.536  86.879  37.486  1.00 46.54           N  
-ATOM   8712  N   PHE H 118       8.697  83.669  38.469  1.00 18.41           N  
-ATOM   8713  CA  PHE H 118       7.260  83.457  38.402  1.00 16.50           C  
-ATOM   8714  C   PHE H 118       6.693  83.034  39.751  1.00 14.40           C  
-ATOM   8715  O   PHE H 118       5.521  82.676  39.848  1.00  8.48           O  
-ATOM   8716  CB  PHE H 118       6.929  82.412  37.343  1.00 17.05           C  
-ATOM   8717  CG  PHE H 118       7.340  82.810  35.969  1.00 21.09           C  
-ATOM   8718  CD1 PHE H 118       8.678  82.860  35.620  1.00 24.20           C  
-ATOM   8719  CD2 PHE H 118       6.390  83.175  35.023  1.00 26.51           C  
-ATOM   8720  CE1 PHE H 118       9.065  83.273  34.349  1.00 25.28           C  
-ATOM   8721  CE2 PHE H 118       6.772  83.586  33.751  1.00 18.00           C  
-ATOM   8722  CZ  PHE H 118       8.107  83.634  33.420  1.00 20.60           C  
-ATOM   8723  N   ALA H 119       7.535  83.085  40.785  1.00 15.54           N  
-ATOM   8724  CA  ALA H 119       7.152  82.716  42.147  1.00 13.44           C  
-ATOM   8725  C   ALA H 119       6.132  81.589  42.216  1.00 15.56           C  
-ATOM   8726  O   ALA H 119       6.368  80.501  41.703  1.00 20.72           O  
-ATOM   8727  CB  ALA H 119       6.624  83.915  42.878  1.00 13.66           C  
-ATOM   8728  N   LYS H 120       4.993  81.850  42.842  1.00 14.47           N  
-ATOM   8729  CA  LYS H 120       3.967  80.826  42.990  1.00 22.71           C  
-ATOM   8730  C   LYS H 120       3.275  80.337  41.706  1.00 24.54           C  
-ATOM   8731  O   LYS H 120       2.512  79.376  41.748  1.00 27.77           O  
-ATOM   8732  CB  LYS H 120       2.926  81.291  44.019  1.00 28.24           C  
-ATOM   8733  CG  LYS H 120       3.571  81.875  45.276  1.00 33.41           C  
-ATOM   8734  CD  LYS H 120       2.640  81.907  46.472  1.00 35.26           C  
-ATOM   8735  CE  LYS H 120       2.463  80.520  47.057  1.00 42.77           C  
-ATOM   8736  NZ  LYS H 120       1.812  80.556  48.399  1.00 50.41           N  
-ATOM   8737  N   GLU H 121       3.538  80.972  40.570  1.00 23.94           N  
-ATOM   8738  CA  GLU H 121       2.935  80.525  39.324  1.00 25.44           C  
-ATOM   8739  C   GLU H 121       3.767  79.374  38.750  1.00 24.03           C  
-ATOM   8740  O   GLU H 121       3.391  78.727  37.774  1.00 30.84           O  
-ATOM   8741  CB  GLU H 121       2.854  81.685  38.330  1.00 34.67           C  
-ATOM   8742  CG  GLU H 121       2.647  81.262  36.882  1.00 46.42           C  
-ATOM   8743  CD  GLU H 121       1.874  82.284  36.073  1.00 55.54           C  
-ATOM   8744  OE1 GLU H 121       2.176  83.493  36.194  1.00 59.91           O  
-ATOM   8745  OE2 GLU H 121       0.969  81.872  35.309  1.00 60.18           O  
-ATOM   8746  N   PHE H 122       4.908  79.118  39.365  1.00 17.89           N  
-ATOM   8747  CA  PHE H 122       5.765  78.040  38.922  1.00 13.86           C  
-ATOM   8748  C   PHE H 122       5.436  76.845  39.797  1.00 16.34           C  
-ATOM   8749  O   PHE H 122       6.172  76.501  40.717  1.00 14.02           O  
-ATOM   8750  CB  PHE H 122       7.221  78.426  39.090  1.00 10.85           C  
-ATOM   8751  CG  PHE H 122       8.141  77.597  38.289  1.00  7.74           C  
-ATOM   8752  CD1 PHE H 122       8.011  77.551  36.910  1.00 10.78           C  
-ATOM   8753  CD2 PHE H 122       9.137  76.847  38.900  1.00  7.74           C  
-ATOM   8754  CE1 PHE H 122       8.868  76.765  36.131  1.00 16.51           C  
-ATOM   8755  CE2 PHE H 122      10.001  76.056  38.136  1.00 13.98           C  
-ATOM   8756  CZ  PHE H 122       9.867  76.014  36.743  1.00 13.18           C  
-ATOM   8757  N   THR H 123       4.302  76.231  39.493  1.00 19.15           N  
-ATOM   8758  CA  THR H 123       3.783  75.084  40.217  1.00 19.54           C  
-ATOM   8759  C   THR H 123       4.615  73.830  40.019  1.00 19.78           C  
-ATOM   8760  O   THR H 123       5.333  73.700  39.030  1.00 24.47           O  
-ATOM   8761  CB  THR H 123       2.358  74.783  39.761  1.00 22.10           C  
-ATOM   8762  OG1 THR H 123       2.372  74.368  38.391  1.00 27.12           O  
-ATOM   8763  CG2 THR H 123       1.509  76.019  39.875  1.00 21.88           C  
-ATOM   8764  N   PRO H 124       4.525  72.883  40.965  1.00 18.52           N  
-ATOM   8765  CA  PRO H 124       5.269  71.622  40.900  1.00 15.79           C  
-ATOM   8766  C   PRO H 124       5.103  70.951  39.549  1.00 15.19           C  
-ATOM   8767  O   PRO H 124       6.068  70.474  38.972  1.00 10.38           O  
-ATOM   8768  CB  PRO H 124       4.652  70.817  42.029  1.00 16.03           C  
-ATOM   8769  CG  PRO H 124       4.429  71.875  43.055  1.00 17.68           C  
-ATOM   8770  CD  PRO H 124       3.815  72.998  42.250  1.00 16.07           C  
-ATOM   8771  N   ASP H 125       3.873  70.914  39.049  1.00 18.66           N  
-ATOM   8772  CA  ASP H 125       3.614  70.311  37.752  1.00 23.78           C  
-ATOM   8773  C   ASP H 125       4.391  71.064  36.704  1.00 26.27           C  
-ATOM   8774  O   ASP H 125       4.961  70.463  35.789  1.00 32.25           O  
-ATOM   8775  CB  ASP H 125       2.141  70.381  37.406  1.00 27.13           C  
-ATOM   8776  CG  ASP H 125       1.298  69.684  38.409  1.00 34.80           C  
-ATOM   8777  OD1 ASP H 125       1.249  70.160  39.566  1.00 45.53           O  
-ATOM   8778  OD2 ASP H 125       0.699  68.655  38.044  1.00 37.85           O  
-ATOM   8779  N   CYS H 126       4.400  72.386  36.834  1.00 23.75           N  
-ATOM   8780  CA  CYS H 126       5.125  73.238  35.901  1.00 21.61           C  
-ATOM   8781  C   CYS H 126       6.637  72.929  35.988  1.00 16.23           C  
-ATOM   8782  O   CYS H 126       7.296  72.730  34.967  1.00  8.09           O  
-ATOM   8783  CB  CYS H 126       4.839  74.719  36.214  1.00 21.76           C  
-ATOM   8784  SG  CYS H 126       5.389  75.861  34.935  1.00 15.78           S  
-ATOM   8785  N   GLN H 127       7.179  72.876  37.202  1.00  8.57           N  
-ATOM   8786  CA  GLN H 127       8.587  72.560  37.343  1.00 10.38           C  
-ATOM   8787  C   GLN H 127       8.907  71.247  36.621  1.00 11.81           C  
-ATOM   8788  O   GLN H 127       9.837  71.171  35.832  1.00 14.20           O  
-ATOM   8789  CB  GLN H 127       8.978  72.426  38.806  1.00  4.69           C  
-ATOM   8790  CG  GLN H 127      10.374  71.858  38.958  1.00 12.13           C  
-ATOM   8791  CD  GLN H 127      10.875  71.844  40.391  1.00 18.87           C  
-ATOM   8792  OE1 GLN H 127      10.164  72.252  41.314  1.00 20.62           O  
-ATOM   8793  NE2 GLN H 127      12.116  71.371  40.587  1.00 15.95           N  
-ATOM   8794  N   ALA H 128       8.132  70.213  36.892  1.00 11.36           N  
-ATOM   8795  CA  ALA H 128       8.356  68.927  36.256  1.00 13.62           C  
-ATOM   8796  C   ALA H 128       8.385  69.018  34.741  1.00 13.42           C  
-ATOM   8797  O   ALA H 128       9.232  68.395  34.097  1.00 17.82           O  
-ATOM   8798  CB  ALA H 128       7.290  67.947  36.688  1.00 17.56           C  
-ATOM   8799  N   ALA H 129       7.464  69.790  34.172  1.00 11.64           N  
-ATOM   8800  CA  ALA H 129       7.382  69.944  32.721  1.00  8.47           C  
-ATOM   8801  C   ALA H 129       8.662  70.537  32.133  1.00  8.97           C  
-ATOM   8802  O   ALA H 129       9.142  70.087  31.096  1.00 14.91           O  
-ATOM   8803  CB  ALA H 129       6.194  70.807  32.365  1.00  4.24           C  
-ATOM   8804  N   TRP H 130       9.212  71.552  32.786  1.00  7.81           N  
-ATOM   8805  CA  TRP H 130      10.435  72.167  32.312  1.00  9.01           C  
-ATOM   8806  C   TRP H 130      11.623  71.261  32.577  1.00 12.28           C  
-ATOM   8807  O   TRP H 130      12.553  71.195  31.787  1.00 18.14           O  
-ATOM   8808  CB  TRP H 130      10.625  73.538  32.953  1.00  8.26           C  
-ATOM   8809  CG  TRP H 130       9.666  74.519  32.380  1.00 14.60           C  
-ATOM   8810  CD1 TRP H 130       8.347  74.661  32.699  1.00 16.20           C  
-ATOM   8811  CD2 TRP H 130       9.893  75.361  31.246  1.00 17.44           C  
-ATOM   8812  NE1 TRP H 130       7.737  75.523  31.827  1.00 13.31           N  
-ATOM   8813  CE2 TRP H 130       8.663  75.968  30.923  1.00 13.69           C  
-ATOM   8814  CE3 TRP H 130      11.020  75.658  30.466  1.00 15.62           C  
-ATOM   8815  CZ2 TRP H 130       8.525  76.849  29.855  1.00 13.24           C  
-ATOM   8816  CZ3 TRP H 130      10.880  76.533  29.408  1.00 12.67           C  
-ATOM   8817  CH2 TRP H 130       9.643  77.119  29.112  1.00 16.33           C  
-ATOM   8818  N   GLN H 131      11.593  70.549  33.688  1.00 17.92           N  
-ATOM   8819  CA  GLN H 131      12.669  69.621  33.994  1.00 19.47           C  
-ATOM   8820  C   GLN H 131      12.800  68.698  32.803  1.00 17.35           C  
-ATOM   8821  O   GLN H 131      13.882  68.515  32.251  1.00 13.92           O  
-ATOM   8822  CB  GLN H 131      12.307  68.805  35.216  1.00 20.82           C  
-ATOM   8823  CG  GLN H 131      12.661  69.483  36.495  1.00 27.60           C  
-ATOM   8824  CD  GLN H 131      14.144  69.482  36.713  1.00 29.30           C  
-ATOM   8825  OE1 GLN H 131      14.622  69.882  37.772  1.00 37.90           O  
-ATOM   8826  NE2 GLN H 131      14.891  69.027  35.710  1.00 20.51           N  
-ATOM   8827  N   LYS H 132      11.670  68.123  32.414  1.00 14.39           N  
-ATOM   8828  CA  LYS H 132      11.616  67.216  31.288  1.00 15.39           C  
-ATOM   8829  C   LYS H 132      12.174  67.901  30.037  1.00 19.67           C  
-ATOM   8830  O   LYS H 132      13.074  67.377  29.388  1.00 20.50           O  
-ATOM   8831  CB  LYS H 132      10.169  66.786  31.066  1.00 16.27           C  
-ATOM   8832  CG  LYS H 132       9.958  65.763  29.977  1.00 22.02           C  
-ATOM   8833  CD  LYS H 132       8.492  65.382  29.882  1.00 27.79           C  
-ATOM   8834  CE  LYS H 132       8.261  64.300  28.843  1.00 34.13           C  
-ATOM   8835  NZ  LYS H 132       6.836  63.887  28.804  1.00 37.18           N  
-ATOM   8836  N   LEU H 133      11.641  69.071  29.697  1.00 16.52           N  
-ATOM   8837  CA  LEU H 133      12.115  69.796  28.524  1.00 19.43           C  
-ATOM   8838  C   LEU H 133      13.646  69.932  28.581  1.00 19.21           C  
-ATOM   8839  O   LEU H 133      14.359  69.452  27.710  1.00 17.01           O  
-ATOM   8840  CB  LEU H 133      11.452  71.183  28.473  1.00 22.36           C  
-ATOM   8841  CG  LEU H 133      11.764  72.149  27.326  1.00 17.20           C  
-ATOM   8842  CD1 LEU H 133      11.291  71.602  25.983  1.00 13.79           C  
-ATOM   8843  CD2 LEU H 133      11.086  73.450  27.634  1.00 13.74           C  
-ATOM   8844  N   VAL H 134      14.134  70.590  29.625  1.00 20.03           N  
-ATOM   8845  CA  VAL H 134      15.554  70.802  29.843  1.00 17.48           C  
-ATOM   8846  C   VAL H 134      16.391  69.534  29.617  1.00 25.75           C  
-ATOM   8847  O   VAL H 134      17.468  69.592  29.026  1.00 30.96           O  
-ATOM   8848  CB  VAL H 134      15.770  71.337  31.277  1.00 14.67           C  
-ATOM   8849  CG1 VAL H 134      17.006  70.731  31.904  1.00 19.54           C  
-ATOM   8850  CG2 VAL H 134      15.885  72.834  31.244  1.00  8.76           C  
-ATOM   8851  N   ARG H 135      15.909  68.389  30.094  1.00 28.89           N  
-ATOM   8852  CA  ARG H 135      16.641  67.131  29.922  1.00 29.34           C  
-ATOM   8853  C   ARG H 135      16.557  66.620  28.488  1.00 25.76           C  
-ATOM   8854  O   ARG H 135      17.564  66.230  27.919  1.00 28.80           O  
-ATOM   8855  CB  ARG H 135      16.105  66.049  30.869  1.00 33.99           C  
-ATOM   8856  CG  ARG H 135      16.551  66.157  32.333  1.00 41.96           C  
-ATOM   8857  CD  ARG H 135      15.628  65.322  33.245  1.00 49.36           C  
-ATOM   8858  NE  ARG H 135      15.439  63.960  32.740  1.00 53.88           N  
-ATOM   8859  CZ  ARG H 135      14.269  63.323  32.692  1.00 55.05           C  
-ATOM   8860  NH1 ARG H 135      13.159  63.918  33.125  1.00 52.87           N  
-ATOM   8861  NH2 ARG H 135      14.205  62.092  32.193  1.00 53.81           N  
-ATOM   8862  N   VAL H 136      15.362  66.614  27.903  1.00 20.19           N  
-ATOM   8863  CA  VAL H 136      15.220  66.138  26.542  1.00 16.73           C  
-ATOM   8864  C   VAL H 136      16.052  67.008  25.593  1.00 19.37           C  
-ATOM   8865  O   VAL H 136      16.422  66.569  24.502  1.00 15.24           O  
-ATOM   8866  CB  VAL H 136      13.763  66.162  26.083  1.00 16.91           C  
-ATOM   8867  CG1 VAL H 136      13.422  67.516  25.528  1.00 25.21           C  
-ATOM   8868  CG2 VAL H 136      13.533  65.118  25.033  1.00 19.27           C  
-ATOM   8869  N   VAL H 137      16.354  68.237  26.008  1.00 20.11           N  
-ATOM   8870  CA  VAL H 137      17.152  69.116  25.163  1.00 19.70           C  
-ATOM   8871  C   VAL H 137      18.587  68.684  25.292  1.00 19.16           C  
-ATOM   8872  O   VAL H 137      19.246  68.433  24.294  1.00 27.20           O  
-ATOM   8873  CB  VAL H 137      17.062  70.617  25.564  1.00 19.04           C  
-ATOM   8874  CG1 VAL H 137      17.741  71.472  24.494  1.00 17.10           C  
-ATOM   8875  CG2 VAL H 137      15.610  71.051  25.711  1.00 15.85           C  
-ATOM   8876  N   ALA H 138      19.070  68.583  26.523  1.00 18.28           N  
-ATOM   8877  CA  ALA H 138      20.456  68.179  26.758  1.00 18.43           C  
-ATOM   8878  C   ALA H 138      20.765  66.814  26.133  1.00 22.16           C  
-ATOM   8879  O   ALA H 138      21.883  66.578  25.675  1.00 18.98           O  
-ATOM   8880  CB  ALA H 138      20.744  68.161  28.255  1.00  9.39           C  
-ATOM   8881  N   HIS H 139      19.772  65.922  26.114  1.00 29.62           N  
-ATOM   8882  CA  HIS H 139      19.935  64.591  25.525  1.00 35.08           C  
-ATOM   8883  C   HIS H 139      20.103  64.741  24.011  1.00 35.40           C  
-ATOM   8884  O   HIS H 139      20.717  63.894  23.358  1.00 36.82           O  
-ATOM   8885  CB  HIS H 139      18.704  63.715  25.806  1.00 41.03           C  
-ATOM   8886  CG  HIS H 139      18.876  62.275  25.417  1.00 51.95           C  
-ATOM   8887  ND1 HIS H 139      19.505  61.353  26.230  1.00 56.97           N  
-ATOM   8888  CD2 HIS H 139      18.499  61.598  24.305  1.00 53.90           C  
-ATOM   8889  CE1 HIS H 139      19.506  60.172  25.635  1.00 59.49           C  
-ATOM   8890  NE2 HIS H 139      18.902  60.293  24.466  1.00 59.16           N  
-ATOM   8891  N   ALA H 140      19.535  65.815  23.460  1.00 31.06           N  
-ATOM   8892  CA  ALA H 140      19.620  66.081  22.036  1.00 26.43           C  
-ATOM   8893  C   ALA H 140      20.990  66.668  21.728  1.00 28.81           C  
-ATOM   8894  O   ALA H 140      21.552  66.408  20.662  1.00 28.15           O  
-ATOM   8895  CB  ALA H 140      18.520  67.042  21.614  1.00 19.74           C  
-ATOM   8896  N   LEU H 141      21.518  67.463  22.660  1.00 30.62           N  
-ATOM   8897  CA  LEU H 141      22.842  68.065  22.499  1.00 32.59           C  
-ATOM   8898  C   LEU H 141      23.909  67.003  22.696  1.00 35.29           C  
-ATOM   8899  O   LEU H 141      24.842  66.908  21.906  1.00 34.59           O  
-ATOM   8900  CB  LEU H 141      23.078  69.182  23.510  1.00 31.58           C  
-ATOM   8901  CG  LEU H 141      22.448  70.546  23.249  1.00 35.60           C  
-ATOM   8902  CD1 LEU H 141      23.063  71.550  24.216  1.00 36.70           C  
-ATOM   8903  CD2 LEU H 141      22.704  70.982  21.825  1.00 32.22           C  
-ATOM   8904  N   ALA H 142      23.785  66.226  23.773  1.00 41.18           N  
-ATOM   8905  CA  ALA H 142      24.735  65.150  24.046  1.00 45.15           C  
-ATOM   8906  C   ALA H 142      24.728  64.294  22.787  1.00 49.70           C  
-ATOM   8907  O   ALA H 142      25.453  64.598  21.845  1.00 53.42           O  
-ATOM   8908  CB  ALA H 142      24.288  64.329  25.246  1.00 42.85           C  
-ATOM   8909  N   ARG H 143      23.894  63.251  22.781  1.00 52.00           N  
-ATOM   8910  CA  ARG H 143      23.722  62.327  21.650  1.00 53.33           C  
-ATOM   8911  C   ARG H 143      24.882  62.287  20.647  1.00 56.72           C  
-ATOM   8912  O   ARG H 143      25.410  61.209  20.351  1.00 54.22           O  
-ATOM   8913  CB  ARG H 143      22.389  62.642  20.943  1.00 52.37           C  
-ATOM   8914  CG  ARG H 143      22.480  63.076  19.491  1.00 54.03           C  
-ATOM   8915  CD  ARG H 143      22.474  61.884  18.550  1.00 56.89           C  
-ATOM   8916  NE  ARG H 143      22.406  62.297  17.148  1.00 62.70           N  
-ATOM   8917  CZ  ARG H 143      21.382  62.955  16.602  1.00 65.22           C  
-ATOM   8918  NH1 ARG H 143      20.329  63.280  17.337  1.00 66.44           N  
-ATOM   8919  NH2 ARG H 143      21.406  63.289  15.315  1.00 66.97           N  
-ATOM   8920  N   LYS H 144      25.265  63.458  20.132  1.00 60.39           N  
-ATOM   8921  CA  LYS H 144      26.371  63.616  19.179  1.00 63.25           C  
-ATOM   8922  C   LYS H 144      27.687  62.933  19.620  1.00 64.08           C  
-ATOM   8923  O   LYS H 144      28.652  62.868  18.841  1.00 65.55           O  
-ATOM   8924  CB  LYS H 144      26.639  65.112  18.937  1.00 63.09           C  
-ATOM   8925  CG  LYS H 144      26.748  65.552  17.455  1.00 62.51           C  
-ATOM   8926  CD  LYS H 144      27.767  64.753  16.636  1.00 58.43           C  
-ATOM   8927  CE  LYS H 144      27.162  63.449  16.105  1.00 56.07           C  
-ATOM   8928  NZ  LYS H 144      28.154  62.608  15.374  1.00 52.87           N  
-ATOM   8929  N   TYR H 145      27.731  62.443  20.860  1.00 62.20           N  
-ATOM   8930  CA  TYR H 145      28.919  61.755  21.388  1.00 59.22           C  
-ATOM   8931  C   TYR H 145      28.675  60.243  21.308  1.00 57.19           C  
-ATOM   8932  O   TYR H 145      29.561  59.432  21.601  1.00 49.87           O  
-ATOM   8933  CB  TYR H 145      29.171  62.148  22.852  1.00 56.92           C  
-ATOM   8934  CG  TYR H 145      29.124  63.633  23.124  1.00 49.51           C  
-ATOM   8935  CD1 TYR H 145      30.263  64.330  23.524  1.00 48.59           C  
-ATOM   8936  CD2 TYR H 145      27.935  64.338  22.996  1.00 45.20           C  
-ATOM   8937  CE1 TYR H 145      30.208  65.690  23.792  1.00 47.93           C  
-ATOM   8938  CE2 TYR H 145      27.869  65.683  23.257  1.00 46.18           C  
-ATOM   8939  CZ  TYR H 145      29.004  66.358  23.656  1.00 49.35           C  
-ATOM   8940  OH  TYR H 145      28.919  67.702  23.925  1.00 53.50           O  
-ATOM   8941  N   HIS H 146      27.452  59.892  20.918  1.00 59.97           N  
-ATOM   8942  CA  HIS H 146      27.014  58.506  20.779  1.00 66.46           C  
-ATOM   8943  C   HIS H 146      25.979  58.371  19.655  1.00 67.47           C  
-ATOM   8944  O   HIS H 146      26.341  57.769  18.616  1.00 70.49           O  
-ATOM   8945  CB  HIS H 146      26.410  58.004  22.103  1.00 66.87           C  
-ATOM   8946  CG  HIS H 146      27.357  57.190  22.931  1.00 66.82           C  
-ATOM   8947  ND1 HIS H 146      27.168  56.973  24.280  1.00 66.20           N  
-ATOM   8948  CD2 HIS H 146      28.495  56.533  22.599  1.00 65.25           C  
-ATOM   8949  CE1 HIS H 146      28.150  56.220  24.744  1.00 66.17           C  
-ATOM   8950  NE2 HIS H 146      28.968  55.939  23.744  1.00 66.76           N  
-ATOM   8951  OXT HIS H 146      24.832  58.864  19.820  1.00 64.87           O  
-TER    8952      HIS H 146                                                      
-HETATM 8953  CHA HEM A 151      30.944   5.223  30.041  1.00 23.91           C  
-HETATM 8954  CHB HEM A 151      33.208   9.482  29.625  1.00 27.97           C  
-HETATM 8955  CHC HEM A 151      34.362   8.606  25.094  1.00 14.60           C  
-HETATM 8956  CHD HEM A 151      31.864   4.468  25.384  1.00 21.43           C  
-HETATM 8957  C1A HEM A 151      31.424   6.499  30.291  1.00 29.08           C  
-HETATM 8958  C2A HEM A 151      31.301   7.235  31.533  1.00 33.84           C  
-HETATM 8959  C3A HEM A 151      31.899   8.433  31.375  1.00 31.93           C  
-HETATM 8960  C4A HEM A 151      32.436   8.436  30.062  1.00 30.17           C  
-HETATM 8961  CMA HEM A 151      32.013   9.540  32.430  1.00 32.12           C  
-HETATM 8962  CAA HEM A 151      30.868   6.800  32.916  1.00 38.36           C  
-HETATM 8963  CBA HEM A 151      29.417   6.540  33.260  1.00 42.79           C  
-HETATM 8964  CGA HEM A 151      29.239   6.301  34.742  1.00 47.76           C  
-HETATM 8965  O1A HEM A 151      30.027   5.521  35.329  1.00 51.24           O  
-HETATM 8966  O2A HEM A 151      28.312   6.893  35.323  1.00 52.77           O  
-HETATM 8967  C1B HEM A 151      33.719   9.603  28.382  1.00 19.63           C  
-HETATM 8968  C2B HEM A 151      34.492  10.692  28.019  1.00 18.36           C  
-HETATM 8969  C3B HEM A 151      34.775  10.524  26.680  1.00 20.53           C  
-HETATM 8970  C4B HEM A 151      34.209   9.258  26.296  1.00 19.45           C  
-HETATM 8971  CMB HEM A 151      34.955  11.751  29.016  1.00 16.56           C  
-HETATM 8972  CAB HEM A 151      35.377  11.434  25.844  1.00 21.07           C  
-HETATM 8973  CBB HEM A 151      36.637  12.036  26.242  1.00 24.56           C  
-HETATM 8974  C1C HEM A 151      33.867   7.332  24.821  1.00 16.66           C  
-HETATM 8975  C2C HEM A 151      33.867   6.740  23.473  1.00 18.19           C  
-HETATM 8976  C3C HEM A 151      33.008   5.660  23.532  1.00 15.45           C  
-HETATM 8977  C4C HEM A 151      32.650   5.512  24.942  1.00 19.13           C  
-HETATM 8978  CMC HEM A 151      34.748   7.174  22.269  1.00 10.85           C  
-HETATM 8979  CAC HEM A 151      32.472   4.839  22.513  1.00 12.00           C  
-HETATM 8980  CBC HEM A 151      32.423   5.023  21.076  1.00 11.38           C  
-HETATM 8981  C1D HEM A 151      31.386   4.360  26.654  1.00 23.65           C  
-HETATM 8982  C2D HEM A 151      30.474   3.337  27.051  1.00 23.88           C  
-HETATM 8983  C3D HEM A 151      30.202   3.488  28.366  1.00 21.14           C  
-HETATM 8984  C4D HEM A 151      31.005   4.619  28.796  1.00 22.67           C  
-HETATM 8985  CMD HEM A 151      29.811   2.370  26.076  1.00 22.50           C  
-HETATM 8986  CAD HEM A 151      29.024   2.752  28.994  1.00 26.42           C  
-HETATM 8987  CBD HEM A 151      28.335   3.148  30.304  1.00 30.04           C  
-HETATM 8988  CGD HEM A 151      26.946   2.539  30.431  1.00 37.03           C  
-HETATM 8989  O1D HEM A 151      26.825   1.294  30.439  1.00 42.88           O  
-HETATM 8990  O2D HEM A 151      25.967   3.311  30.517  1.00 40.58           O  
-HETATM 8991  NA  HEM A 151      32.111   7.278  29.358  1.00 30.07           N  
-HETATM 8992  NB  HEM A 151      33.541   8.705  27.364  1.00 23.73           N  
-HETATM 8993  NC  HEM A 151      33.109   6.566  25.709  1.00 22.14           N  
-HETATM 8994  ND  HEM A 151      31.654   5.207  27.695  1.00 25.58           N  
-HETATM 8995 FE   HEM A 151      32.479   6.895  27.419  1.00 25.47          FE  
-HETATM 8996  CHA HEM B 152      45.604  23.116  -4.881  1.00 33.13           C  
-HETATM 8997  CHB HEM B 152      41.238  21.298  -3.795  1.00 35.15           C  
-HETATM 8998  CHC HEM B 152      42.976  19.310   0.329  1.00 24.51           C  
-HETATM 8999  CHD HEM B 152      47.219  21.382  -0.578  1.00 31.40           C  
-HETATM 9000  C1A HEM B 152      44.219  22.901  -4.983  1.00 36.75           C  
-HETATM 9001  C2A HEM B 152      43.279  23.294  -6.076  1.00 39.42           C  
-HETATM 9002  C3A HEM B 152      42.066  22.830  -5.631  1.00 37.81           C  
-HETATM 9003  C4A HEM B 152      42.227  22.102  -4.395  1.00 37.01           C  
-HETATM 9004  CMA HEM B 152      40.723  23.017  -6.317  1.00 38.89           C  
-HETATM 9005  CAA HEM B 152      43.436  23.780  -7.541  1.00 44.07           C  
-HETATM 9006  CBA HEM B 152      44.720  24.305  -8.175  1.00 52.48           C  
-HETATM 9007  CGA HEM B 152      45.194  25.610  -7.546  1.00 61.94           C  
-HETATM 9008  O1A HEM B 152      44.385  26.565  -7.481  1.00 61.91           O  
-HETATM 9009  O2A HEM B 152      46.375  25.685  -7.123  1.00 64.46           O  
-HETATM 9010  C1B HEM B 152      41.372  20.554  -2.621  1.00 27.92           C  
-HETATM 9011  C2B HEM B 152      40.289  19.850  -2.001  1.00 25.42           C  
-HETATM 9012  C3B HEM B 152      40.771  19.305  -0.853  1.00 25.71           C  
-HETATM 9013  C4B HEM B 152      42.151  19.683  -0.741  1.00 24.82           C  
-HETATM 9014  CMB HEM B 152      38.849  19.788  -2.469  1.00 25.05           C  
-HETATM 9015  CAB HEM B 152      40.079  18.555   0.074  1.00 23.44           C  
-HETATM 9016  CBB HEM B 152      39.576  17.290  -0.289  1.00 25.61           C  
-HETATM 9017  C1C HEM B 152      44.285  19.723   0.487  1.00 25.53           C  
-HETATM 9018  C2C HEM B 152      45.110  19.532   1.658  1.00 24.36           C  
-HETATM 9019  C3C HEM B 152      46.326  20.102   1.394  1.00 22.31           C  
-HETATM 9020  C4C HEM B 152      46.215  20.660   0.070  1.00 26.88           C  
-HETATM 9021  CMC HEM B 152      44.701  18.802   2.927  1.00 19.73           C  
-HETATM 9022  CAC HEM B 152      47.483  20.035   2.167  1.00 23.22           C  
-HETATM 9023  CBC HEM B 152      47.930  21.016   3.139  1.00 25.43           C  
-HETATM 9024  C1D HEM B 152      47.105  22.044  -1.790  1.00 26.25           C  
-HETATM 9025  C2D HEM B 152      48.204  22.763  -2.344  1.00 28.63           C  
-HETATM 9026  C3D HEM B 152      47.783  23.216  -3.548  1.00 34.25           C  
-HETATM 9027  C4D HEM B 152      46.413  22.756  -3.763  1.00 32.11           C  
-HETATM 9028  CMD HEM B 152      49.590  22.988  -1.729  1.00 26.77           C  
-HETATM 9029  CAD HEM B 152      48.623  24.137  -4.425  1.00 37.06           C  
-HETATM 9030  CBD HEM B 152      48.059  25.540  -4.458  1.00 43.21           C  
-HETATM 9031  CGD HEM B 152      48.993  26.507  -5.136  1.00 48.16           C  
-HETATM 9032  O1D HEM B 152      49.464  26.181  -6.249  1.00 49.34           O  
-HETATM 9033  O2D HEM B 152      49.253  27.588  -4.555  1.00 51.32           O  
-HETATM 9034  NA  HEM B 152      43.539  22.191  -3.975  1.00 38.11           N  
-HETATM 9035  NB  HEM B 152      42.516  20.480  -1.827  1.00 28.41           N  
-HETATM 9036  NC  HEM B 152      44.952  20.477  -0.453  1.00 29.56           N  
-HETATM 9037  ND  HEM B 152      45.991  22.069  -2.618  1.00 29.74           N  
-HETATM 9038 FE   HEM B 152      44.266  21.366  -2.198  1.00 34.62          FE  
-HETATM 9039  CHA HEM C 153      67.499  15.751  10.944  1.00 21.03           C  
-HETATM 9040  CHB HEM C 153      66.519  12.519  14.418  1.00 17.97           C  
-HETATM 9041  CHC HEM C 153      62.474  11.211  12.264  1.00 12.57           C  
-HETATM 9042  CHD HEM C 153      63.547  14.206   8.643  1.00 11.38           C  
-HETATM 9043  C1A HEM C 153      67.574  14.942  12.072  1.00 22.61           C  
-HETATM 9044  C2A HEM C 153      68.669  14.935  13.049  1.00 24.18           C  
-HETATM 9045  C3A HEM C 153      68.402  13.984  13.961  1.00 21.12           C  
-HETATM 9046  C4A HEM C 153      67.133  13.430  13.599  1.00 19.69           C  
-HETATM 9047  CMA HEM C 153      69.249  13.637  15.179  1.00 16.84           C  
-HETATM 9048  CAA HEM C 153      69.781  15.915  13.304  1.00 25.94           C  
-HETATM 9049  CBA HEM C 153      70.982  15.992  12.405  1.00 31.31           C  
-HETATM 9050  CGA HEM C 153      72.032  16.919  12.971  1.00 32.26           C  
-HETATM 9051  O1A HEM C 153      71.684  18.040  13.401  1.00 36.30           O  
-HETATM 9052  O2A HEM C 153      73.209  16.532  12.987  1.00 36.38           O  
-HETATM 9053  C1B HEM C 153      65.329  11.909  14.158  1.00 11.46           C  
-HETATM 9054  C2B HEM C 153      64.765  10.992  15.028  1.00 11.74           C  
-HETATM 9055  C3B HEM C 153      63.649  10.512  14.399  1.00  9.98           C  
-HETATM 9056  C4B HEM C 153      63.521  11.252  13.180  1.00 12.84           C  
-HETATM 9057  CMB HEM C 153      65.318  10.698  16.446  1.00 12.19           C  
-HETATM 9058  CAB HEM C 153      62.873   9.451  14.800  1.00  9.02           C  
-HETATM 9059  CBB HEM C 153      62.345   9.458  16.157  1.00 17.19           C  
-HETATM 9060  C1C HEM C 153      62.359  12.001  11.134  1.00  3.96           C  
-HETATM 9061  C2C HEM C 153      61.363  11.780  10.111  1.00  3.49           C  
-HETATM 9062  C3C HEM C 153      61.780  12.526   9.011  1.00  9.02           C  
-HETATM 9063  C4C HEM C 153      62.915  13.291   9.464  1.00 10.17           C  
-HETATM 9064  CMC HEM C 153      60.070  10.960  10.219  1.00  3.36           C  
-HETATM 9065  CAC HEM C 153      61.313  12.580   7.677  1.00  3.36           C  
-HETATM 9066  CBC HEM C 153      60.422  11.703   6.953  1.00  5.45           C  
-HETATM 9067  C1D HEM C 153      64.704  14.863   8.966  1.00 15.57           C  
-HETATM 9068  C2D HEM C 153      65.405  15.684   8.047  1.00 19.35           C  
-HETATM 9069  C3D HEM C 153      66.506  16.186   8.662  1.00 20.04           C  
-HETATM 9070  C4D HEM C 153      66.463  15.649  10.011  1.00 21.11           C  
-HETATM 9071  CMD HEM C 153      65.053  15.836   6.562  1.00 19.71           C  
-HETATM 9072  CAD HEM C 153      67.608  16.871   7.837  1.00 22.30           C  
-HETATM 9073  CBD HEM C 153      69.044  17.041   8.304  1.00 23.23           C  
-HETATM 9074  CGD HEM C 153      70.000  17.325   7.155  1.00 29.74           C  
-HETATM 9075  O1D HEM C 153      69.821  18.339   6.446  1.00 32.31           O  
-HETATM 9076  O2D HEM C 153      70.941  16.527   6.958  1.00 36.31           O  
-HETATM 9077  NA  HEM C 153      66.627  13.977  12.416  1.00 17.59           N  
-HETATM 9078  NB  HEM C 153      64.581  12.086  13.027  1.00 16.70           N  
-HETATM 9079  NC  HEM C 153      63.304  12.919  10.742  1.00  8.51           N  
-HETATM 9080  ND  HEM C 153      65.386  14.767  10.155  1.00 19.18           N  
-HETATM 9081 FE   HEM C 153      65.031  13.375  11.463  1.00  3.81          FE  
-HETATM 9082  CHA HEM D 154      37.740 -13.746  10.910  1.00 44.88           C  
-HETATM 9083  CHB HEM D 154      41.194 -12.661   7.653  1.00 45.53           C  
-HETATM 9084  CHC HEM D 154      42.264  -8.496  10.043  1.00 38.56           C  
-HETATM 9085  CHD HEM D 154      39.081  -9.725  13.434  1.00 37.98           C  
-HETATM 9086  C1A HEM D 154      38.611 -13.910   9.809  1.00 47.23           C  
-HETATM 9087  C2A HEM D 154      38.646 -15.015   8.791  1.00 46.42           C  
-HETATM 9088  C3A HEM D 154      39.720 -14.688   7.999  1.00 46.61           C  
-HETATM 9089  C4A HEM D 154      40.272 -13.409   8.410  1.00 46.10           C  
-HETATM 9090  CMA HEM D 154      40.253 -15.502   6.827  1.00 45.34           C  
-HETATM 9091  CAA HEM D 154      37.664 -16.132   8.362  1.00 47.65           C  
-HETATM 9092  CBA HEM D 154      36.440 -16.597   9.144  1.00 54.17           C  
-HETATM 9093  CGA HEM D 154      36.799 -17.262  10.478  1.00 64.36           C  
-HETATM 9094  O1A HEM D 154      37.635 -18.209  10.471  1.00 62.88           O  
-HETATM 9095  O2A HEM D 154      36.239 -16.840  11.528  1.00 61.49           O  
-HETATM 9096  C1B HEM D 154      41.710 -11.403   8.005  1.00 40.42           C  
-HETATM 9097  C2B HEM D 154      42.738 -10.740   7.249  1.00 35.81           C  
-HETATM 9098  C3B HEM D 154      43.066  -9.598   7.918  1.00 37.72           C  
-HETATM 9099  C4B HEM D 154      42.229  -9.548   9.110  1.00 38.85           C  
-HETATM 9100  CMB HEM D 154      43.430 -11.262   6.014  1.00 29.39           C  
-HETATM 9101  CAB HEM D 154      44.042  -8.672   7.549  1.00 30.58           C  
-HETATM 9102  CBB HEM D 154      43.891  -7.923   6.347  1.00 23.31           C  
-HETATM 9103  C1C HEM D 154      41.504  -8.466  11.206  1.00 39.15           C  
-HETATM 9104  C2C HEM D 154      41.642  -7.512  12.292  1.00 36.18           C  
-HETATM 9105  C3C HEM D 154      40.720  -7.860  13.242  1.00 34.13           C  
-HETATM 9106  C4C HEM D 154      40.055  -9.031  12.752  1.00 34.23           C  
-HETATM 9107  CMC HEM D 154      42.615  -6.344  12.339  1.00 36.32           C  
-HETATM 9108  CAC HEM D 154      40.376  -7.150  14.384  1.00 34.54           C  
-HETATM 9109  CBC HEM D 154      40.921  -7.381  15.707  1.00 31.64           C  
-HETATM 9110  C1D HEM D 154      38.503 -10.940  13.052  1.00 39.05           C  
-HETATM 9111  C2D HEM D 154      37.491 -11.575  13.837  1.00 38.20           C  
-HETATM 9112  C3D HEM D 154      37.108 -12.659  13.138  1.00 41.43           C  
-HETATM 9113  C4D HEM D 154      37.848 -12.708  11.889  1.00 43.00           C  
-HETATM 9114  CMD HEM D 154      36.935 -11.130  15.187  1.00 32.26           C  
-HETATM 9115  CAD HEM D 154      36.123 -13.679  13.671  1.00 43.30           C  
-HETATM 9116  CBD HEM D 154      36.812 -14.987  13.996  1.00 45.06           C  
-HETATM 9117  CGD HEM D 154      35.900 -15.938  14.737  1.00 50.96           C  
-HETATM 9118  O1D HEM D 154      34.757 -16.151  14.268  1.00 53.03           O  
-HETATM 9119  O2D HEM D 154      36.329 -16.470  15.788  1.00 51.04           O  
-HETATM 9120  NA  HEM D 154      39.632 -12.960   9.554  1.00 45.86           N  
-HETATM 9121  NB  HEM D 154      41.417 -10.690   9.177  1.00 40.48           N  
-HETATM 9122  NC  HEM D 154      40.572  -9.433  11.539  1.00 39.23           N  
-HETATM 9123  ND  HEM D 154      38.765 -11.656  11.879  1.00 42.34           N  
-HETATM 9124 FE   HEM D 154      40.181 -11.304  10.565  1.00 46.81          FE  
-HETATM 9125  CHA HEM E 155      49.851  69.666  35.226  1.00 24.11           C  
-HETATM 9126  CHB HEM E 155      49.045  66.319  38.630  1.00 28.10           C  
-HETATM 9127  CHC HEM E 155      44.780  65.243  36.796  1.00 15.72           C  
-HETATM 9128  CHD HEM E 155      45.691  68.352  33.181  1.00 17.66           C  
-HETATM 9129  C1A HEM E 155      50.000  68.793  36.277  1.00 27.69           C  
-HETATM 9130  C2A HEM E 155      51.165  68.707  37.155  1.00 33.55           C  
-HETATM 9131  C3A HEM E 155      50.935  67.751  38.072  1.00 32.97           C  
-HETATM 9132  C4A HEM E 155      49.615  67.248  37.791  1.00 30.87           C  
-HETATM 9133  CMA HEM E 155      51.876  67.339  39.207  1.00 29.69           C  
-HETATM 9134  CAA HEM E 155      52.349  69.622  37.348  1.00 39.88           C  
-HETATM 9135  CBA HEM E 155      53.476  69.683  36.340  1.00 44.19           C  
-HETATM 9136  CGA HEM E 155      54.620  70.528  36.852  1.00 46.61           C  
-HETATM 9137  O1A HEM E 155      54.358  71.636  37.369  1.00 50.89           O  
-HETATM 9138  O2A HEM E 155      55.777  70.087  36.738  1.00 50.74           O  
-HETATM 9139  C1B HEM E 155      47.831  65.747  38.420  1.00 22.93           C  
-HETATM 9140  C2B HEM E 155      47.296  64.825  39.314  1.00 20.57           C  
-HETATM 9141  C3B HEM E 155      46.108  64.412  38.753  1.00 19.82           C  
-HETATM 9142  C4B HEM E 155      45.906  65.184  37.572  1.00 15.95           C  
-HETATM 9143  CMB HEM E 155      47.961  64.478  40.649  1.00 16.58           C  
-HETATM 9144  CAB HEM E 155      45.327  63.364  39.191  1.00 23.02           C  
-HETATM 9145  CBB HEM E 155      44.926  63.309  40.591  1.00 27.37           C  
-HETATM 9146  C1C HEM E 155      44.623  66.109  35.706  1.00 13.87           C  
-HETATM 9147  C2C HEM E 155      43.515  65.980  34.752  1.00 16.69           C  
-HETATM 9148  C3C HEM E 155      43.876  66.730  33.642  1.00 13.70           C  
-HETATM 9149  C4C HEM E 155      45.106  67.418  34.014  1.00 16.36           C  
-HETATM 9150  CMC HEM E 155      42.165  65.235  34.999  1.00 11.18           C  
-HETATM 9151  CAC HEM E 155      43.271  66.850  32.374  1.00  9.23           C  
-HETATM 9152  CBC HEM E 155      42.305  66.011  31.681  1.00  3.69           C  
-HETATM 9153  C1D HEM E 155      46.899  68.938  33.432  1.00 22.47           C  
-HETATM 9154  C2D HEM E 155      47.549  69.796  32.497  1.00 24.65           C  
-HETATM 9155  C3D HEM E 155      48.717  70.221  33.041  1.00 23.77           C  
-HETATM 9156  C4D HEM E 155      48.761  69.629  34.369  1.00 24.60           C  
-HETATM 9157  CMD HEM E 155      47.066  70.028  31.068  1.00 21.66           C  
-HETATM 9158  CAD HEM E 155      49.780  70.882  32.162  1.00 28.13           C  
-HETATM 9159  CBD HEM E 155      51.270  70.997  32.497  1.00 28.68           C  
-HETATM 9160  CGD HEM E 155      52.129  71.266  31.256  1.00 37.13           C  
-HETATM 9161  O1D HEM E 155      51.935  72.310  30.595  1.00 40.06           O  
-HETATM 9162  O2D HEM E 155      53.002  70.426  30.931  1.00 39.84           O  
-HETATM 9163  NA  HEM E 155      49.035  67.853  36.659  1.00 26.12           N  
-HETATM 9164  NB  HEM E 155      46.989  66.003  37.349  1.00 22.76           N  
-HETATM 9165  NC  HEM E 155      45.602  66.986  35.246  1.00 16.88           N  
-HETATM 9166  ND  HEM E 155      47.672  68.758  34.563  1.00 25.51           N  
-HETATM 9167 FE   HEM E 155      47.318  67.394  35.860  1.00 26.56          FE  
-HETATM 9168  CHA HEM F 156      18.943  41.425  36.544  1.00 32.45           C  
-HETATM 9169  CHB HEM F 156      22.151  42.506  33.066  1.00 34.21           C  
-HETATM 9170  CHC HEM F 156      23.576  46.509  35.507  1.00 26.21           C  
-HETATM 9171  CHD HEM F 156      20.641  45.275  39.098  1.00 27.22           C  
-HETATM 9172  C1A HEM F 156      19.717  41.244  35.385  1.00 36.92           C  
-HETATM 9173  C2A HEM F 156      19.619  40.196  34.329  1.00 35.75           C  
-HETATM 9174  C3A HEM F 156      20.614  40.532  33.453  1.00 36.35           C  
-HETATM 9175  C4A HEM F 156      21.248  41.762  33.852  1.00 37.02           C  
-HETATM 9176  CMA HEM F 156      21.028  39.759  32.208  1.00 38.87           C  
-HETATM 9177  CAA HEM F 156      18.570  39.140  33.940  1.00 42.21           C  
-HETATM 9178  CBA HEM F 156      17.391  38.690  34.792  1.00 52.37           C  
-HETATM 9179  CGA HEM F 156      17.828  37.967  36.053  1.00 61.57           C  
-HETATM 9180  O1A HEM F 156      18.607  36.992  35.931  1.00 63.14           O  
-HETATM 9181  O2A HEM F 156      17.391  38.368  37.161  1.00 64.21           O  
-HETATM 9182  C1B HEM F 156      22.756  43.721  33.417  1.00 27.64           C  
-HETATM 9183  C2B HEM F 156      23.747  44.366  32.620  1.00 22.61           C  
-HETATM 9184  C3B HEM F 156      24.150  45.471  33.293  1.00 23.87           C  
-HETATM 9185  C4B HEM F 156      23.416  45.507  34.537  1.00 27.72           C  
-HETATM 9186  CMB HEM F 156      24.328  43.879  31.300  1.00 23.96           C  
-HETATM 9187  CAB HEM F 156      25.108  46.388  32.916  1.00 15.27           C  
-HETATM 9188  CBB HEM F 156      24.889  47.200  31.789  1.00 18.18           C  
-HETATM 9189  C1C HEM F 156      22.932  46.528  36.712  1.00 28.09           C  
-HETATM 9190  C2C HEM F 156      23.221  47.420  37.826  1.00 27.56           C  
-HETATM 9191  C3C HEM F 156      22.364  47.073  38.852  1.00 26.91           C  
-HETATM 9192  C4C HEM F 156      21.582  45.966  38.356  1.00 26.42           C  
-HETATM 9193  CMC HEM F 156      24.239  48.548  37.843  1.00 22.01           C  
-HETATM 9194  CAC HEM F 156      22.164  47.746  40.064  1.00 29.31           C  
-HETATM 9195  CBC HEM F 156      22.805  47.463  41.337  1.00 25.18           C  
-HETATM 9196  C1D HEM F 156      19.988  44.098  38.711  1.00 26.93           C  
-HETATM 9197  C2D HEM F 156      19.034  43.469  39.562  1.00 26.16           C  
-HETATM 9198  C3D HEM F 156      18.522  42.447  38.857  1.00 30.14           C  
-HETATM 9199  C4D HEM F 156      19.148  42.439  37.530  1.00 28.84           C  
-HETATM 9200  CMD HEM F 156      18.650  43.876  40.988  1.00 26.77           C  
-HETATM 9201  CAD HEM F 156      17.549  41.438  39.455  1.00 32.63           C  
-HETATM 9202  CBD HEM F 156      18.211  40.095  39.679  1.00 40.16           C  
-HETATM 9203  CGD HEM F 156      17.334  39.157  40.465  1.00 48.88           C  
-HETATM 9204  O1D HEM F 156      16.143  39.026  40.097  1.00 54.93           O  
-HETATM 9205  O2D HEM F 156      17.832  38.550  41.444  1.00 50.74           O  
-HETATM 9206  NA  HEM F 156      20.723  42.176  35.068  1.00 38.09           N  
-HETATM 9207  NB  HEM F 156      22.570  44.411  34.620  1.00 30.28           N  
-HETATM 9208  NC  HEM F 156      21.978  45.605  37.065  1.00 31.40           N  
-HETATM 9209  ND  HEM F 156      20.093  43.445  37.479  1.00 26.81           N  
-HETATM 9210 FE   HEM F 156      21.327  43.884  36.067  1.00 36.86          FE  
-HETATM 9211  CHA HEM G 157      14.639  59.972  57.094  1.00 16.24           C  
-HETATM 9212  CHB HEM G 157      17.074  64.133  56.619  1.00 16.92           C  
-HETATM 9213  CHC HEM G 157      17.871  63.349  51.975  1.00  7.96           C  
-HETATM 9214  CHD HEM G 157      15.149  59.360  52.315  1.00 10.45           C  
-HETATM 9215  C1A HEM G 157      15.224  61.197  57.335  1.00 18.46           C  
-HETATM 9216  C2A HEM G 157      15.230  61.900  58.610  1.00 25.62           C  
-HETATM 9217  C3A HEM G 157      15.863  63.085  58.448  1.00 21.26           C  
-HETATM 9218  C4A HEM G 157      16.298  63.099  57.084  1.00 17.17           C  
-HETATM 9219  CMA HEM G 157      16.127  64.137  59.524  1.00  6.68           C  
-HETATM 9220  CAA HEM G 157      14.917  61.426  60.008  1.00 29.79           C  
-HETATM 9221  CBA HEM G 157      13.496  61.206  60.460  1.00 33.03           C  
-HETATM 9222  CGA HEM G 157      13.433  60.912  61.941  1.00 37.40           C  
-HETATM 9223  O1A HEM G 157      14.242  60.083  62.419  1.00 42.23           O  
-HETATM 9224  O2A HEM G 157      12.578  61.507  62.627  1.00 37.39           O  
-HETATM 9225  C1B HEM G 157      17.504  64.274  55.344  1.00  7.31           C  
-HETATM 9226  C2B HEM G 157      18.318  65.325  54.963  1.00  7.79           C  
-HETATM 9227  C3B HEM G 157      18.477  65.203  53.608  1.00 13.40           C  
-HETATM 9228  C4B HEM G 157      17.820  63.977  53.225  1.00 13.41           C  
-HETATM 9229  CMB HEM G 157      18.912  66.345  55.922  1.00  3.72           C  
-HETATM 9230  CAB HEM G 157      19.038  66.134  52.750  1.00 13.55           C  
-HETATM 9231  CBB HEM G 157      20.361  66.655  53.049  1.00 16.27           C  
-HETATM 9232  C1C HEM G 157      17.306  62.108  51.689  1.00  4.27           C  
-HETATM 9233  C2C HEM G 157      17.124  61.600  50.349  1.00  6.73           C  
-HETATM 9234  C3C HEM G 157      16.220  60.558  50.439  1.00  8.05           C  
-HETATM 9235  C4C HEM G 157      15.962  60.368  51.841  1.00 10.21           C  
-HETATM 9236  CMC HEM G 157      17.855  62.063  49.066  1.00  3.36           C  
-HETATM 9237  CAC HEM G 157      15.589  59.794  49.436  1.00  4.63           C  
-HETATM 9238  CBC HEM G 157      15.433  60.015  48.049  1.00  3.36           C  
-HETATM 9239  C1D HEM G 157      14.794  59.209  53.630  1.00 15.30           C  
-HETATM 9240  C2D HEM G 157      13.871  58.211  54.073  1.00 19.36           C  
-HETATM 9241  C3D HEM G 157      13.724  58.298  55.415  1.00 20.89           C  
-HETATM 9242  C4D HEM G 157      14.610  59.396  55.815  1.00 22.25           C  
-HETATM 9243  CMD HEM G 157      13.054  57.318  53.143  1.00 22.90           C  
-HETATM 9244  CAD HEM G 157      12.574  57.584  56.127  1.00 21.11           C  
-HETATM 9245  CBD HEM G 157      12.013  57.988  57.481  1.00 16.16           C  
-HETATM 9246  CGD HEM G 157      10.619  57.421  57.726  1.00 23.18           C  
-HETATM 9247  O1D HEM G 157      10.445  56.183  57.691  1.00 25.22           O  
-HETATM 9248  O2D HEM G 157       9.687  58.218  57.954  1.00 28.80           O  
-HETATM 9249  NA  HEM G 157      15.889  61.964  56.379  1.00 17.19           N  
-HETATM 9250  NB  HEM G 157      17.196  63.432  54.325  1.00 11.59           N  
-HETATM 9251  NC  HEM G 157      16.572  61.356  52.600  1.00 14.39           N  
-HETATM 9252  ND  HEM G 157      15.204  59.991  54.675  1.00 17.90           N  
-HETATM 9253 FE   HEM G 157      16.095  61.698  54.478  1.00 15.58          FE  
-HETATM 9254  CHA HEM H 158      27.255  78.609  21.735  1.00 45.12           C  
-HETATM 9255  CHB HEM H 158      22.896  76.920  23.104  1.00 43.28           C  
-HETATM 9256  CHC HEM H 158      24.875  74.706  27.007  1.00 36.14           C  
-HETATM 9257  CHD HEM H 158      29.131  76.614  25.847  1.00 39.50           C  
-HETATM 9258  C1A HEM H 158      25.848  78.445  21.750  1.00 47.90           C  
-HETATM 9259  C2A HEM H 158      24.837  78.914  20.746  1.00 47.80           C  
-HETATM 9260  C3A HEM H 158      23.638  78.494  21.276  1.00 44.19           C  
-HETATM 9261  C4A HEM H 158      23.865  77.712  22.472  1.00 44.69           C  
-HETATM 9262  CMA HEM H 158      22.266  78.765  20.697  1.00 44.10           C  
-HETATM 9263  CAA HEM H 158      24.914  79.438  19.284  1.00 51.88           C  
-HETATM 9264  CBA HEM H 158      26.172  79.929  18.572  1.00 55.18           C  
-HETATM 9265  CGA HEM H 158      26.753  81.192  19.203  1.00 63.40           C  
-HETATM 9266  O1A HEM H 158      25.994  82.184  19.362  1.00 60.97           O  
-HETATM 9267  O2A HEM H 158      27.969  81.190  19.532  1.00 63.23           O  
-HETATM 9268  C1B HEM H 158      23.099  76.113  24.240  1.00 38.79           C  
-HETATM 9269  C2B HEM H 158      22.029  75.430  24.924  1.00 32.87           C  
-HETATM 9270  C3B HEM H 158      22.558  74.839  26.027  1.00 32.74           C  
-HETATM 9271  C4B HEM H 158      23.977  75.158  26.034  1.00 34.63           C  
-HETATM 9272  CMB HEM H 158      20.560  75.458  24.562  1.00 28.93           C  
-HETATM 9273  CAB HEM H 158      21.862  74.101  26.985  1.00 23.66           C  
-HETATM 9274  CBB HEM H 158      21.266  72.865  26.624  1.00 19.21           C  
-HETATM 9275  C1C HEM H 158      26.226  75.039  27.061  1.00 38.92           C  
-HETATM 9276  C2C HEM H 158      27.144  74.743  28.151  1.00 36.88           C  
-HETATM 9277  C3C HEM H 158      28.353  75.277  27.805  1.00 35.14           C  
-HETATM 9278  C4C HEM H 158      28.163  75.911  26.524  1.00 35.91           C  
-HETATM 9279  CMC HEM H 158      26.805  73.981  29.419  1.00 34.47           C  
-HETATM 9280  CAC HEM H 158      29.564  75.128  28.482  1.00 35.84           C  
-HETATM 9281  CBC HEM H 158      30.142  76.070  29.428  1.00 25.62           C  
-HETATM 9282  C1D HEM H 158      28.953  77.346  24.674  1.00 41.23           C  
-HETATM 9283  C2D HEM H 158      30.035  78.035  24.040  1.00 38.60           C  
-HETATM 9284  C3D HEM H 158      29.540  78.547  22.904  1.00 42.96           C  
-HETATM 9285  C4D HEM H 158      28.136  78.176  22.787  1.00 44.66           C  
-HETATM 9286  CMD HEM H 158      31.471  78.159  24.527  1.00 36.40           C  
-HETATM 9287  CAD HEM H 158      30.345  79.451  21.985  1.00 46.30           C  
-HETATM 9288  CBD HEM H 158      29.835  80.882  22.045  1.00 46.84           C  
-HETATM 9289  CGD HEM H 158      30.749  81.836  21.323  1.00 49.77           C  
-HETATM 9290  O1D HEM H 158      31.097  81.549  20.157  1.00 54.45           O  
-HETATM 9291  O2D HEM H 158      31.121  82.870  21.919  1.00 49.34           O  
-HETATM 9292  NA  HEM H 158      25.209  77.733  22.802  1.00 46.49           N  
-HETATM 9293  NB  HEM H 158      24.291  75.977  24.947  1.00 40.36           N  
-HETATM 9294  NC  HEM H 158      26.861  75.814  26.106  1.00 40.27           N  
-HETATM 9295  ND  HEM H 158      27.772  77.467  23.939  1.00 43.19           N  
-HETATM 9296 FE   HEM H 158      25.982  76.919  24.458  1.00 34.54          FE  
-CONECT  665 8995                                                                
-CONECT 1800 9038                                                                
-CONECT 2903 9081                                                                
-CONECT 4038 9124                                                                
-CONECT 5141 9167                                                                
-CONECT 6276 9210                                                                
-CONECT 7379 9253                                                                
-CONECT 8514 9296                                                                
-CONECT 8953 8957 8984                                                           
-CONECT 8954 8960 8967                                                           
-CONECT 8955 8970 8974                                                           
-CONECT 8956 8977 8981                                                           
-CONECT 8957 8953 8958 8991                                                      
-CONECT 8958 8957 8959 8962                                                      
-CONECT 8959 8958 8960 8961                                                      
-CONECT 8960 8954 8959 8991                                                      
-CONECT 8961 8959                                                                
-CONECT 8962 8958 8963                                                           
-CONECT 8963 8962 8964                                                           
-CONECT 8964 8963 8965 8966                                                      
-CONECT 8965 8964                                                                
-CONECT 8966 8964                                                                
-CONECT 8967 8954 8968 8992                                                      
-CONECT 8968 8967 8969 8971                                                      
-CONECT 8969 8968 8970 8972                                                      
-CONECT 8970 8955 8969 8992                                                      
-CONECT 8971 8968                                                                
-CONECT 8972 8969 8973                                                           
-CONECT 8973 8972                                                                
-CONECT 8974 8955 8975 8993                                                      
-CONECT 8975 8974 8976 8978                                                      
-CONECT 8976 8975 8977 8979                                                      
-CONECT 8977 8956 8976 8993                                                      
-CONECT 8978 8975                                                                
-CONECT 8979 8976 8980                                                           
-CONECT 8980 8979                                                                
-CONECT 8981 8956 8982 8994                                                      
-CONECT 8982 8981 8983 8985                                                      
-CONECT 8983 8982 8984 8986                                                      
-CONECT 8984 8953 8983 8994                                                      
-CONECT 8985 8982                                                                
-CONECT 8986 8983 8987                                                           
-CONECT 8987 8986 8988                                                           
-CONECT 8988 8987 8989 8990                                                      
-CONECT 8989 8988                                                                
-CONECT 8990 8988                                                                
-CONECT 8991 8957 8960 8995                                                      
-CONECT 8992 8967 8970 8995                                                      
-CONECT 8993 8974 8977 8995                                                      
-CONECT 8994 8981 8984 8995                                                      
-CONECT 8995  665 8991 8992 8993                                                 
-CONECT 8995 8994                                                                
-CONECT 8996 9000 9027                                                           
-CONECT 8997 9003 9010                                                           
-CONECT 8998 9013 9017                                                           
-CONECT 8999 9020 9024                                                           
-CONECT 9000 8996 9001 9034                                                      
-CONECT 9001 9000 9002 9005                                                      
-CONECT 9002 9001 9003 9004                                                      
-CONECT 9003 8997 9002 9034                                                      
-CONECT 9004 9002                                                                
-CONECT 9005 9001 9006                                                           
-CONECT 9006 9005 9007                                                           
-CONECT 9007 9006 9008 9009                                                      
-CONECT 9008 9007                                                                
-CONECT 9009 9007                                                                
-CONECT 9010 8997 9011 9035                                                      
-CONECT 9011 9010 9012 9014                                                      
-CONECT 9012 9011 9013 9015                                                      
-CONECT 9013 8998 9012 9035                                                      
-CONECT 9014 9011                                                                
-CONECT 9015 9012 9016                                                           
-CONECT 9016 9015                                                                
-CONECT 9017 8998 9018 9036                                                      
-CONECT 9018 9017 9019 9021                                                      
-CONECT 9019 9018 9020 9022                                                      
-CONECT 9020 8999 9019 9036                                                      
-CONECT 9021 9018                                                                
-CONECT 9022 9019 9023                                                           
-CONECT 9023 9022                                                                
-CONECT 9024 8999 9025 9037                                                      
-CONECT 9025 9024 9026 9028                                                      
-CONECT 9026 9025 9027 9029                                                      
-CONECT 9027 8996 9026 9037                                                      
-CONECT 9028 9025                                                                
-CONECT 9029 9026 9030                                                           
-CONECT 9030 9029 9031                                                           
-CONECT 9031 9030 9032 9033                                                      
-CONECT 9032 9031                                                                
-CONECT 9033 9031                                                                
-CONECT 9034 9000 9003 9038                                                      
-CONECT 9035 9010 9013 9038                                                      
-CONECT 9036 9017 9020 9038                                                      
-CONECT 9037 9024 9027 9038                                                      
-CONECT 9038 1800 9034 9035 9036                                                 
-CONECT 9038 9037                                                                
-CONECT 9039 9043 9070                                                           
-CONECT 9040 9046 9053                                                           
-CONECT 9041 9056 9060                                                           
-CONECT 9042 9063 9067                                                           
-CONECT 9043 9039 9044 9077                                                      
-CONECT 9044 9043 9045 9048                                                      
-CONECT 9045 9044 9046 9047                                                      
-CONECT 9046 9040 9045 9077                                                      
-CONECT 9047 9045                                                                
-CONECT 9048 9044 9049                                                           
-CONECT 9049 9048 9050                                                           
-CONECT 9050 9049 9051 9052                                                      
-CONECT 9051 9050                                                                
-CONECT 9052 9050                                                                
-CONECT 9053 9040 9054 9078                                                      
-CONECT 9054 9053 9055 9057                                                      
-CONECT 9055 9054 9056 9058                                                      
-CONECT 9056 9041 9055 9078                                                      
-CONECT 9057 9054                                                                
-CONECT 9058 9055 9059                                                           
-CONECT 9059 9058                                                                
-CONECT 9060 9041 9061 9079                                                      
-CONECT 9061 9060 9062 9064                                                      
-CONECT 9062 9061 9063 9065                                                      
-CONECT 9063 9042 9062 9079                                                      
-CONECT 9064 9061                                                                
-CONECT 9065 9062 9066                                                           
-CONECT 9066 9065                                                                
-CONECT 9067 9042 9068 9080                                                      
-CONECT 9068 9067 9069 9071                                                      
-CONECT 9069 9068 9070 9072                                                      
-CONECT 9070 9039 9069 9080                                                      
-CONECT 9071 9068                                                                
-CONECT 9072 9069 9073                                                           
-CONECT 9073 9072 9074                                                           
-CONECT 9074 9073 9075 9076                                                      
-CONECT 9075 9074                                                                
-CONECT 9076 9074                                                                
-CONECT 9077 9043 9046 9081                                                      
-CONECT 9078 9053 9056 9081                                                      
-CONECT 9079 9060 9063 9081                                                      
-CONECT 9080 9067 9070 9081                                                      
-CONECT 9081 2903 9077 9078 9079                                                 
-CONECT 9081 9080                                                                
-CONECT 9082 9086 9113                                                           
-CONECT 9083 9089 9096                                                           
-CONECT 9084 9099 9103                                                           
-CONECT 9085 9106 9110                                                           
-CONECT 9086 9082 9087 9120                                                      
-CONECT 9087 9086 9088 9091                                                      
-CONECT 9088 9087 9089 9090                                                      
-CONECT 9089 9083 9088 9120                                                      
-CONECT 9090 9088                                                                
-CONECT 9091 9087 9092                                                           
-CONECT 9092 9091 9093                                                           
-CONECT 9093 9092 9094 9095                                                      
-CONECT 9094 9093                                                                
-CONECT 9095 9093                                                                
-CONECT 9096 9083 9097 9121                                                      
-CONECT 9097 9096 9098 9100                                                      
-CONECT 9098 9097 9099 9101                                                      
-CONECT 9099 9084 9098 9121                                                      
-CONECT 9100 9097                                                                
-CONECT 9101 9098 9102                                                           
-CONECT 9102 9101                                                                
-CONECT 9103 9084 9104 9122                                                      
-CONECT 9104 9103 9105 9107                                                      
-CONECT 9105 9104 9106 9108                                                      
-CONECT 9106 9085 9105 9122                                                      
-CONECT 9107 9104                                                                
-CONECT 9108 9105 9109                                                           
-CONECT 9109 9108                                                                
-CONECT 9110 9085 9111 9123                                                      
-CONECT 9111 9110 9112 9114                                                      
-CONECT 9112 9111 9113 9115                                                      
-CONECT 9113 9082 9112 9123                                                      
-CONECT 9114 9111                                                                
-CONECT 9115 9112 9116                                                           
-CONECT 9116 9115 9117                                                           
-CONECT 9117 9116 9118 9119                                                      
-CONECT 9118 9117                                                                
-CONECT 9119 9117                                                                
-CONECT 9120 9086 9089 9124                                                      
-CONECT 9121 9096 9099 9124                                                      
-CONECT 9122 9103 9106 9124                                                      
-CONECT 9123 9110 9113 9124                                                      
-CONECT 9124 4038 9120 9121 9122                                                 
-CONECT 9124 9123                                                                
-CONECT 9125 9129 9156                                                           
-CONECT 9126 9132 9139                                                           
-CONECT 9127 9142 9146                                                           
-CONECT 9128 9149 9153                                                           
-CONECT 9129 9125 9130 9163                                                      
-CONECT 9130 9129 9131 9134                                                      
-CONECT 9131 9130 9132 9133                                                      
-CONECT 9132 9126 9131 9163                                                      
-CONECT 9133 9131                                                                
-CONECT 9134 9130 9135                                                           
-CONECT 9135 9134 9136                                                           
-CONECT 9136 9135 9137 9138                                                      
-CONECT 9137 9136                                                                
-CONECT 9138 9136                                                                
-CONECT 9139 9126 9140 9164                                                      
-CONECT 9140 9139 9141 9143                                                      
-CONECT 9141 9140 9142 9144                                                      
-CONECT 9142 9127 9141 9164                                                      
-CONECT 9143 9140                                                                
-CONECT 9144 9141 9145                                                           
-CONECT 9145 9144                                                                
-CONECT 9146 9127 9147 9165                                                      
-CONECT 9147 9146 9148 9150                                                      
-CONECT 9148 9147 9149 9151                                                      
-CONECT 9149 9128 9148 9165                                                      
-CONECT 9150 9147                                                                
-CONECT 9151 9148 9152                                                           
-CONECT 9152 9151                                                                
-CONECT 9153 9128 9154 9166                                                      
-CONECT 9154 9153 9155 9157                                                      
-CONECT 9155 9154 9156 9158                                                      
-CONECT 9156 9125 9155 9166                                                      
-CONECT 9157 9154                                                                
-CONECT 9158 9155 9159                                                           
-CONECT 9159 9158 9160                                                           
-CONECT 9160 9159 9161 9162                                                      
-CONECT 9161 9160                                                                
-CONECT 9162 9160                                                                
-CONECT 9163 9129 9132 9167                                                      
-CONECT 9164 9139 9142 9167                                                      
-CONECT 9165 9146 9149 9167                                                      
-CONECT 9166 9153 9156 9167                                                      
-CONECT 9167 5141 9163 9164 9165                                                 
-CONECT 9167 9166                                                                
-CONECT 9168 9172 9199                                                           
-CONECT 9169 9175 9182                                                           
-CONECT 9170 9185 9189                                                           
-CONECT 9171 9192 9196                                                           
-CONECT 9172 9168 9173 9206                                                      
-CONECT 9173 9172 9174 9177                                                      
-CONECT 9174 9173 9175 9176                                                      
-CONECT 9175 9169 9174 9206                                                      
-CONECT 9176 9174                                                                
-CONECT 9177 9173 9178                                                           
-CONECT 9178 9177 9179                                                           
-CONECT 9179 9178 9180 9181                                                      
-CONECT 9180 9179                                                                
-CONECT 9181 9179                                                                
-CONECT 9182 9169 9183 9207                                                      
-CONECT 9183 9182 9184 9186                                                      
-CONECT 9184 9183 9185 9187                                                      
-CONECT 9185 9170 9184 9207                                                      
-CONECT 9186 9183                                                                
-CONECT 9187 9184 9188                                                           
-CONECT 9188 9187                                                                
-CONECT 9189 9170 9190 9208                                                      
-CONECT 9190 9189 9191 9193                                                      
-CONECT 9191 9190 9192 9194                                                      
-CONECT 9192 9171 9191 9208                                                      
-CONECT 9193 9190                                                                
-CONECT 9194 9191 9195                                                           
-CONECT 9195 9194                                                                
-CONECT 9196 9171 9197 9209                                                      
-CONECT 9197 9196 9198 9200                                                      
-CONECT 9198 9197 9199 9201                                                      
-CONECT 9199 9168 9198 9209                                                      
-CONECT 9200 9197                                                                
-CONECT 9201 9198 9202                                                           
-CONECT 9202 9201 9203                                                           
-CONECT 9203 9202 9204 9205                                                      
-CONECT 9204 9203                                                                
-CONECT 9205 9203                                                                
-CONECT 9206 9172 9175 9210                                                      
-CONECT 9207 9182 9185 9210                                                      
-CONECT 9208 9189 9192 9210                                                      
-CONECT 9209 9196 9199 9210                                                      
-CONECT 9210 6276 9206 9207 9208                                                 
-CONECT 9210 9209                                                                
-CONECT 9211 9215 9242                                                           
-CONECT 9212 9218 9225                                                           
-CONECT 9213 9228 9232                                                           
-CONECT 9214 9235 9239                                                           
-CONECT 9215 9211 9216 9249                                                      
-CONECT 9216 9215 9217 9220                                                      
-CONECT 9217 9216 9218 9219                                                      
-CONECT 9218 9212 9217 9249                                                      
-CONECT 9219 9217                                                                
-CONECT 9220 9216 9221                                                           
-CONECT 9221 9220 9222                                                           
-CONECT 9222 9221 9223 9224                                                      
-CONECT 9223 9222                                                                
-CONECT 9224 9222                                                                
-CONECT 9225 9212 9226 9250                                                      
-CONECT 9226 9225 9227 9229                                                      
-CONECT 9227 9226 9228 9230                                                      
-CONECT 9228 9213 9227 9250                                                      
-CONECT 9229 9226                                                                
-CONECT 9230 9227 9231                                                           
-CONECT 9231 9230                                                                
-CONECT 9232 9213 9233 9251                                                      
-CONECT 9233 9232 9234 9236                                                      
-CONECT 9234 9233 9235 9237                                                      
-CONECT 9235 9214 9234 9251                                                      
-CONECT 9236 9233                                                                
-CONECT 9237 9234 9238                                                           
-CONECT 9238 9237                                                                
-CONECT 9239 9214 9240 9252                                                      
-CONECT 9240 9239 9241 9243                                                      
-CONECT 9241 9240 9242 9244                                                      
-CONECT 9242 9211 9241 9252                                                      
-CONECT 9243 9240                                                                
-CONECT 9244 9241 9245                                                           
-CONECT 9245 9244 9246                                                           
-CONECT 9246 9245 9247 9248                                                      
-CONECT 9247 9246                                                                
-CONECT 9248 9246                                                                
-CONECT 9249 9215 9218 9253                                                      
-CONECT 9250 9225 9228 9253                                                      
-CONECT 9251 9232 9235 9253                                                      
-CONECT 9252 9239 9242 9253                                                      
-CONECT 9253 7379 9249 9250 9251                                                 
-CONECT 9253 9252                                                                
-CONECT 9254 9258 9285                                                           
-CONECT 9255 9261 9268                                                           
-CONECT 9256 9271 9275                                                           
-CONECT 9257 9278 9282                                                           
-CONECT 9258 9254 9259 9292                                                      
-CONECT 9259 9258 9260 9263                                                      
-CONECT 9260 9259 9261 9262                                                      
-CONECT 9261 9255 9260 9292                                                      
-CONECT 9262 9260                                                                
-CONECT 9263 9259 9264                                                           
-CONECT 9264 9263 9265                                                           
-CONECT 9265 9264 9266 9267                                                      
-CONECT 9266 9265                                                                
-CONECT 9267 9265                                                                
-CONECT 9268 9255 9269 9293                                                      
-CONECT 9269 9268 9270 9272                                                      
-CONECT 9270 9269 9271 9273                                                      
-CONECT 9271 9256 9270 9293                                                      
-CONECT 9272 9269                                                                
-CONECT 9273 9270 9274                                                           
-CONECT 9274 9273                                                                
-CONECT 9275 9256 9276 9294                                                      
-CONECT 9276 9275 9277 9279                                                      
-CONECT 9277 9276 9278 9280                                                      
-CONECT 9278 9257 9277 9294                                                      
-CONECT 9279 9276                                                                
-CONECT 9280 9277 9281                                                           
-CONECT 9281 9280                                                                
-CONECT 9282 9257 9283 9295                                                      
-CONECT 9283 9282 9284 9286                                                      
-CONECT 9284 9283 9285 9287                                                      
-CONECT 9285 9254 9284 9295                                                      
-CONECT 9286 9283                                                                
-CONECT 9287 9284 9288                                                           
-CONECT 9288 9287 9289                                                           
-CONECT 9289 9288 9290 9291                                                      
-CONECT 9290 9289                                                                
-CONECT 9291 9289                                                                
-CONECT 9292 9258 9261 9296                                                      
-CONECT 9293 9268 9271 9296                                                      
-CONECT 9294 9275 9278 9296                                                      
-CONECT 9295 9282 9285 9296                                                      
-CONECT 9296 8514 9292 9293 9294                                                 
-CONECT 9296 9295                                                                
-MASTER      443    0    8   76    0    0   23    6 9288    8  360   92          
-END                                                                             
diff --git a/Tests/ChemSharp.Tests/files/2spl.pdb b/Tests/ChemSharp.Tests/files/2spl.pdb
deleted file mode 100644
index 13bd6a9..0000000
--- a/Tests/ChemSharp.Tests/files/2spl.pdb
+++ /dev/null
@@ -1,1942 +0,0 @@
-HEADER    OXYGEN STORAGE                          25-AUG-93   2SPL              
-TITLE     A NOVEL SITE-DIRECTED MUTANT OF MYOGLOBIN WITH AN UNUSUALLY           
-TITLE    2 HIGH O2 AFFINITY AND LOW AUTOOXIDATION RATE                          
-COMPND    MOL_ID: 1;                                                            
-COMPND   2 MOLECULE: MYOGLOBIN;                                                 
-COMPND   3 CHAIN: A;                                                            
-COMPND   4 ENGINEERED: YES                                                      
-SOURCE    MOL_ID: 1;                                                            
-SOURCE   2 ORGANISM_SCIENTIFIC: PHYSETER CATODON;                               
-SOURCE   3 ORGANISM_COMMON: SPERM WHALE;                                        
-SOURCE   4 ORGANISM_TAXID: 9755                                                 
-KEYWDS    OXYGEN STORAGE                                                        
-EXPDTA    X-RAY DIFFRACTION                                                     
-AUTHOR    M.L.QUILLIN,R.M.ARDUINI,G.N.PHILLIPS JR.                              
-REVDAT   4   24-FEB-09 2SPL    1       VERSN                                    
-REVDAT   3   03-MAY-05 2SPL    1       AUTHOR JRNL                              
-REVDAT   2   01-APR-03 2SPL    1       JRNL                                     
-REVDAT   1   31-JAN-94 2SPL    0                                                
-JRNL        AUTH   T.E.CARVER,R.E.BRANTLEY JR.,E.W.SINGLETON,                   
-JRNL        AUTH 2 R.M.ARDUINI,M.L.QUILLIN,G.N.PHILLIPS JR.,J.S.OLSON           
-JRNL        TITL   A NOVEL SITE-DIRECTED MUTANT OF MYOGLOBIN WITH AN            
-JRNL        TITL 2 UNUSUALLY HIGH O2 AFFINITY AND LOW AUTOOXIDATION             
-JRNL        TITL 3 RATE.                                                        
-JRNL        REF    J.BIOL.CHEM.                  V. 267 14443 1992              
-JRNL        REFN                   ISSN 0021-9258                               
-JRNL        PMID   1629229                                                      
-REMARK   1                                                                      
-REMARK   1 REFERENCE 1                                                          
-REMARK   1  AUTH   G.N.PHILLIPS JR.,R.M.ARDUINI,B.A.SPRINGER,                   
-REMARK   1  AUTH 2 S.G.SLIGAR                                                   
-REMARK   1  TITL   CRYSTAL STRUCTURE OF MYOGLOBIN FROM A SYNTHETIC              
-REMARK   1  TITL 2 GENE                                                         
-REMARK   1  REF    PROTEINS                      V.   7   358 1990              
-REMARK   1  REFN                   ISSN 0887-3585                               
-REMARK   1 REFERENCE 2                                                          
-REMARK   1  AUTH   B.A.SPRINGER,S.G.SLIGAR                                      
-REMARK   1  TITL   HIGH-LEVEL EXPRESSION OF SPERM WHALE MYOGLOBIN IN            
-REMARK   1  TITL 2 ESCHERICHIA COLI                                             
-REMARK   1  REF    PROC.NATL.ACAD.SCI.USA        V.  84  8961 1987              
-REMARK   1  REFN                   ISSN 0027-8424                               
-REMARK   2                                                                      
-REMARK   2 RESOLUTION.    1.70 ANGSTROMS.                                       
-REMARK   3                                                                      
-REMARK   3 REFINEMENT.                                                          
-REMARK   3   PROGRAM     : X-PLOR                                               
-REMARK   3   AUTHORS     : BRUNGER                                              
-REMARK   3                                                                      
-REMARK   3  DATA USED IN REFINEMENT.                                            
-REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70                           
-REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 5.00                           
-REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
-REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL                           
-REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
-REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : NULL                           
-REMARK   3   NUMBER OF REFLECTIONS             : 15364                          
-REMARK   3                                                                      
-REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
-REMARK   3   CROSS-VALIDATION METHOD          : NULL                            
-REMARK   3   FREE R VALUE TEST SET SELECTION  : NULL                            
-REMARK   3   R VALUE            (WORKING SET) : 0.152                           
-REMARK   3   FREE R VALUE                     : NULL                            
-REMARK   3   FREE R VALUE TEST SET SIZE   (%) : NULL                            
-REMARK   3   FREE R VALUE TEST SET COUNT      : NULL                            
-REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : NULL                            
-REMARK   3                                                                      
-REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
-REMARK   3   TOTAL NUMBER OF BINS USED           : NULL                         
-REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : NULL                         
-REMARK   3   BIN RESOLUTION RANGE LOW        (A) : NULL                         
-REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : NULL                         
-REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : NULL                         
-REMARK   3   BIN R VALUE           (WORKING SET) : NULL                         
-REMARK   3   BIN FREE R VALUE                    : NULL                         
-REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : NULL                         
-REMARK   3   BIN FREE R VALUE TEST SET COUNT     : NULL                         
-REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : NULL                         
-REMARK   3                                                                      
-REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
-REMARK   3   PROTEIN ATOMS            : 1228                                    
-REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
-REMARK   3   HETEROGEN ATOMS          : 50                                      
-REMARK   3   SOLVENT ATOMS            : 159                                     
-REMARK   3                                                                      
-REMARK   3  B VALUES.                                                           
-REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
-REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
-REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
-REMARK   3    B11 (A**2) : NULL                                                 
-REMARK   3    B22 (A**2) : NULL                                                 
-REMARK   3    B33 (A**2) : NULL                                                 
-REMARK   3    B12 (A**2) : NULL                                                 
-REMARK   3    B13 (A**2) : NULL                                                 
-REMARK   3    B23 (A**2) : NULL                                                 
-REMARK   3                                                                      
-REMARK   3  ESTIMATED COORDINATE ERROR.                                         
-REMARK   3   ESD FROM LUZZATI PLOT        (A) : NULL                            
-REMARK   3   ESD FROM SIGMAA              (A) : NULL                            
-REMARK   3   LOW RESOLUTION CUTOFF        (A) : NULL                            
-REMARK   3                                                                      
-REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
-REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : NULL                            
-REMARK   3   ESD FROM C-V SIGMAA          (A) : NULL                            
-REMARK   3                                                                      
-REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
-REMARK   3   BOND LENGTHS                 (A) : 0.022                           
-REMARK   3   BOND ANGLES            (DEGREES) : 2.60                            
-REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 21.41                           
-REMARK   3   IMPROPER ANGLES        (DEGREES) : 4.39                            
-REMARK   3                                                                      
-REMARK   3  ISOTROPIC THERMAL MODEL : NULL                                      
-REMARK   3                                                                      
-REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
-REMARK   3   MAIN-CHAIN BOND              (A**2) : NULL  ; NULL                 
-REMARK   3   MAIN-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
-REMARK   3   SIDE-CHAIN BOND              (A**2) : NULL  ; NULL                 
-REMARK   3   SIDE-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
-REMARK   3                                                                      
-REMARK   3  NCS MODEL : NULL                                                    
-REMARK   3                                                                      
-REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
-REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
-REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
-REMARK   3                                                                      
-REMARK   3  PARAMETER FILE  1  : NULL                                           
-REMARK   3  TOPOLOGY FILE  1   : NULL                                           
-REMARK   3                                                                      
-REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
-REMARK   4                                                                      
-REMARK   4 2SPL COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
-REMARK 100                                                                      
-REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.                                
-REMARK 200                                                                      
-REMARK 200 EXPERIMENTAL DETAILS                                                 
-REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
-REMARK 200  DATE OF DATA COLLECTION        : NULL                               
-REMARK 200  TEMPERATURE           (KELVIN) : NULL                               
-REMARK 200  PH                             : NULL                               
-REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
-REMARK 200                                                                      
-REMARK 200  SYNCHROTRON              (Y/N) : NULL                               
-REMARK 200  RADIATION SOURCE               : NULL                               
-REMARK 200  BEAMLINE                       : NULL                               
-REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
-REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : NULL                               
-REMARK 200  WAVELENGTH OR RANGE        (A) : NULL                               
-REMARK 200  MONOCHROMATOR                  : NULL                               
-REMARK 200  OPTICS                         : NULL                               
-REMARK 200                                                                      
-REMARK 200  DETECTOR TYPE                  : NULL                               
-REMARK 200  DETECTOR MANUFACTURER          : NULL                               
-REMARK 200  INTENSITY-INTEGRATION SOFTWARE : NULL                               
-REMARK 200  DATA SCALING SOFTWARE          : NULL                               
-REMARK 200                                                                      
-REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : NULL                               
-REMARK 200  RESOLUTION RANGE HIGH      (A) : NULL                               
-REMARK 200  RESOLUTION RANGE LOW       (A) : NULL                               
-REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
-REMARK 200                                                                      
-REMARK 200 OVERALL.                                                             
-REMARK 200  COMPLETENESS FOR RANGE     (%) : NULL                               
-REMARK 200  DATA REDUNDANCY                : NULL                               
-REMARK 200  R MERGE                    (I) : NULL                               
-REMARK 200  R SYM                      (I) : NULL                               
-REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL                               
-REMARK 200                                                                      
-REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
-REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
-REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
-REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
-REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
-REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
-REMARK 200  R SYM FOR SHELL            (I) : NULL                               
-REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
-REMARK 200                                                                      
-REMARK 200 DIFFRACTION PROTOCOL: NULL                                           
-REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL                         
-REMARK 200 SOFTWARE USED: X-PLOR                                                
-REMARK 200 STARTING MODEL: NULL                                                 
-REMARK 200                                                                      
-REMARK 200 REMARK: NULL                                                         
-REMARK 280                                                                      
-REMARK 280 CRYSTAL                                                              
-REMARK 280 SOLVENT CONTENT, VS   (%): 61.13                                     
-REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.16                     
-REMARK 280                                                                      
-REMARK 280 CRYSTALLIZATION CONDITIONS: NULL                                     
-REMARK 290                                                                      
-REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
-REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 6                              
-REMARK 290                                                                      
-REMARK 290      SYMOP   SYMMETRY                                                
-REMARK 290     NNNMMM   OPERATOR                                                
-REMARK 290       1555   X,Y,Z                                                   
-REMARK 290       2555   -Y,X-Y,Z                                                
-REMARK 290       3555   -X+Y,-X,Z                                               
-REMARK 290       4555   -X,-Y,Z                                                 
-REMARK 290       5555   Y,-X+Y,Z                                                
-REMARK 290       6555   X-Y,X,Z                                                 
-REMARK 290                                                                      
-REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
-REMARK 290           MMM -> TRANSLATION VECTOR                                  
-REMARK 290                                                                      
-REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
-REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
-REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
-REMARK 290 RELATED MOLECULES.                                                   
-REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
-REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
-REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
-REMARK 290   SMTRY1   2 -0.500000 -0.866025  0.000000        0.00000            
-REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
-REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
-REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
-REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
-REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
-REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000        0.00000            
-REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
-REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000        0.00000            
-REMARK 290   SMTRY1   5  0.500000  0.866025  0.000000        0.00000            
-REMARK 290   SMTRY2   5 -0.866025  0.500000  0.000000        0.00000            
-REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000        0.00000            
-REMARK 290   SMTRY1   6  0.500000 -0.866025  0.000000        0.00000            
-REMARK 290   SMTRY2   6  0.866025  0.500000  0.000000        0.00000            
-REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000        0.00000            
-REMARK 290                                                                      
-REMARK 290 REMARK: NULL                                                         
-REMARK 300                                                                      
-REMARK 300 BIOMOLECULE: 1                                                       
-REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
-REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
-REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
-REMARK 300 BURIED SURFACE AREA.                                                 
-REMARK 350                                                                      
-REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
-REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
-REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
-REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
-REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
-REMARK 350                                                                      
-REMARK 350 BIOMOLECULE: 1                                                       
-REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
-REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
-REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
-REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
-REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
-REMARK 500                                                                      
-REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
-REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
-REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
-REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
-REMARK 500                                                                      
-REMARK 500 STANDARD TABLE:                                                      
-REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
-REMARK 500                                                                      
-REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
-REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
-REMARK 500                                                                      
-REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
-REMARK 500    HIS A  12   CG    HIS A  12   ND1     0.149                       
-REMARK 500    HIS A  24   CG    HIS A  24   CD2     0.069                       
-REMARK 500    HIS A  36   CE1   HIS A  36   NE2    -0.068                       
-REMARK 500    HIS A  64   CG    HIS A  64   CD2     0.072                       
-REMARK 500    HIS A  97   CG    HIS A  97   CD2     0.087                       
-REMARK 500    HIS A 113   CG    HIS A 113   CD2     0.072                       
-REMARK 500    HIS A 116   CG    HIS A 116   CD2     0.128                       
-REMARK 500    HIS A 119   CE1   HIS A 119   NE2    -0.075                       
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
-REMARK 500                                                                      
-REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
-REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
-REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
-REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
-REMARK 500                                                                      
-REMARK 500 STANDARD TABLE:                                                      
-REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
-REMARK 500                                                                      
-REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
-REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
-REMARK 500                                                                      
-REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
-REMARK 500    TRP A   7   CD1 -  CG  -  CD2 ANGL. DEV. =   7.0 DEGREES          
-REMARK 500    TRP A   7   CE2 -  CD2 -  CG  ANGL. DEV. =  -5.2 DEGREES          
-REMARK 500    TRP A  14   CD1 -  CG  -  CD2 ANGL. DEV. =   6.3 DEGREES          
-REMARK 500    TRP A  14   CE2 -  CD2 -  CG  ANGL. DEV. =  -5.4 DEGREES          
-REMARK 500    HIS A  48   CE1 -  NE2 -  CD2 ANGL. DEV. =   6.0 DEGREES          
-REMARK 500    HIS A  64   ND1 -  CG  -  CD2 ANGL. DEV. =   9.5 DEGREES          
-REMARK 500    HIS A  64   CB  -  CG  -  ND1 ANGL. DEV. =  -8.5 DEGREES          
-REMARK 500    HIS A  64   CE1 -  NE2 -  CD2 ANGL. DEV. =  10.1 DEGREES          
-REMARK 500    HIS A  64   CG  -  CD2 -  NE2 ANGL. DEV. = -16.3 DEGREES          
-REMARK 500    HIS A  81   CA  -  CB  -  CG  ANGL. DEV. = -11.2 DEGREES          
-REMARK 500    HIS A  97   ND1 -  CE1 -  NE2 ANGL. DEV. =  -7.6 DEGREES          
-REMARK 500    HIS A  97   CE1 -  NE2 -  CD2 ANGL. DEV. =   7.2 DEGREES          
-REMARK 500    HIS A 113   CG  -  CD2 -  NE2 ANGL. DEV. =  -8.4 DEGREES          
-REMARK 500    HIS A 116   CA  -  CB  -  CG  ANGL. DEV. =  11.5 DEGREES          
-REMARK 500    HIS A 116   CB  -  CG  -  CD2 ANGL. DEV. = -10.0 DEGREES          
-REMARK 500    ARG A 118   NE  -  CZ  -  NH2 ANGL. DEV. =  -9.4 DEGREES          
-REMARK 500    ARG A 139   CD  -  NE  -  CZ  ANGL. DEV. =   8.5 DEGREES          
-REMARK 500    ARG A 139   NE  -  CZ  -  NH1 ANGL. DEV. =   7.9 DEGREES          
-REMARK 500    ARG A 139   NE  -  CZ  -  NH2 ANGL. DEV. = -14.8 DEGREES          
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: TORSION ANGLES                                             
-REMARK 500                                                                      
-REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
-REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
-REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
-REMARK 500                                                                      
-REMARK 500 STANDARD TABLE:                                                      
-REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
-REMARK 500                                                                      
-REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
-REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
-REMARK 500                                                                      
-REMARK 500  M RES CSSEQI        PSI       PHI                                   
-REMARK 500    ASP A  20       76.74   -153.17                                   
-REMARK 500    LYS A  98       67.00     61.12                                   
-REMARK 500    PHE A 123       47.82   -144.37                                   
-REMARK 500    GLN A 152       54.56     25.51                                   
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
-REMARK 500                                                                      
-REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
-REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
-REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
-REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
-REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
-REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
-REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
-REMARK 500                                                                      
-REMARK 500  M RES CSSEQI        RMS     TYPE                                    
-REMARK 500    ASP A  44         0.08    SIDE_CHAIN                              
-REMARK 500    GLU A  85         0.07    SIDE_CHAIN                              
-REMARK 500    GLU A 105         0.09    SIDE_CHAIN                              
-REMARK 500    GLU A 109         0.08    SIDE_CHAIN                              
-REMARK 500    HIS A 116         0.07    SIDE_CHAIN                              
-REMARK 500    ARG A 118         0.11    SIDE_CHAIN                              
-REMARK 500    ASP A 126         0.07    SIDE_CHAIN                              
-REMARK 500    ARG A 139         0.10    SIDE_CHAIN                              
-REMARK 500    ASP A 141         0.07    SIDE_CHAIN                              
-REMARK 500    TYR A 146         0.07    SIDE_CHAIN                              
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY                                       
-REMARK 500                                                                      
-REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY                       
-REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER                       
-REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;                     
-REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;                            
-REMARK 500 I=INSERTION CODE).                                                   
-REMARK 500                                                                      
-REMARK 500  M RES CSSEQI        ANGLE                                           
-REMARK 500    SER A  35         10.51                                           
-REMARK 500    ASP A  44        -12.39                                           
-REMARK 500    THR A  51        -11.21                                           
-REMARK 500    LYS A  56         11.41                                           
-REMARK 500    THR A  95        -10.86                                           
-REMARK 500    ILE A  99        -10.24                                           
-REMARK 500    GLY A 150         12.78                                           
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 620                                                                      
-REMARK 620 METAL COORDINATION                                                   
-REMARK 620  (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;              
-REMARK 620  SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                            
-REMARK 620                                                                      
-REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
-REMARK 620                             HEM A 154  FE                            
-REMARK 620 N RES CSSEQI ATOM                                                    
-REMARK 620 1 CMO A 155   C                                                      
-REMARK 620 2 HIS A  93   NE2 179.4                                              
-REMARK 620 3 CMO A 155   O     8.8 171.7                                        
-REMARK 620 N                    1     2                                         
-REMARK 800                                                                      
-REMARK 800 SITE                                                                 
-REMARK 800 SITE_IDENTIFIER: AC1                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 156                 
-REMARK 800 SITE_IDENTIFIER: AC2                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 154                 
-REMARK 800 SITE_IDENTIFIER: AC3                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CMO A 155                 
-DBREF  2SPL A    1   153  UNP    P02185   MYG_PHYCA        1    153             
-SEQADV 2SPL PHE A   29  UNP  P02185    LEU    29 CONFLICT                       
-SEQADV 2SPL ASN A  122  UNP  P02185    ASP   122 CONFLICT                       
-SEQRES   1 A  154  MET VAL LEU SER GLU GLY GLU TRP GLN LEU VAL LEU HIS          
-SEQRES   2 A  154  VAL TRP ALA LYS VAL GLU ALA ASP VAL ALA GLY HIS GLY          
-SEQRES   3 A  154  GLN ASP ILE PHE ILE ARG LEU PHE LYS SER HIS PRO GLU          
-SEQRES   4 A  154  THR LEU GLU LYS PHE ASP ARG PHE LYS HIS LEU LYS THR          
-SEQRES   5 A  154  GLU ALA GLU MET LYS ALA SER GLU ASP LEU LYS LYS HIS          
-SEQRES   6 A  154  GLY VAL THR VAL LEU THR ALA LEU GLY ALA ILE LEU LYS          
-SEQRES   7 A  154  LYS LYS GLY HIS HIS GLU ALA GLU LEU LYS PRO LEU ALA          
-SEQRES   8 A  154  GLN SER HIS ALA THR LYS HIS LYS ILE PRO ILE LYS TYR          
-SEQRES   9 A  154  LEU GLU PHE ILE SER GLU ALA ILE ILE HIS VAL LEU HIS          
-SEQRES  10 A  154  SER ARG HIS PRO GLY ASN PHE GLY ALA ASP ALA GLN GLY          
-SEQRES  11 A  154  ALA MET ASN LYS ALA LEU GLU LEU PHE ARG LYS ASP ILE          
-SEQRES  12 A  154  ALA ALA LYS TYR LYS GLU LEU GLY TYR GLN GLY                  
-HET    SO4  A 156       5                                                       
-HET    HEM  A 154      43                                                       
-HET    CMO  A 155       2                                                       
-HETNAM     SO4 SULFATE ION                                                      
-HETNAM     HEM PROTOPORPHYRIN IX CONTAINING FE                                  
-HETNAM     CMO CARBON MONOXIDE                                                  
-HETSYN     HEM HEME                                                             
-FORMUL   2  SO4    O4 S 2-                                                      
-FORMUL   3  HEM    C34 H32 FE N4 O4                                             
-FORMUL   4  CMO    C O                                                          
-FORMUL   5  HOH   *159(H2 O)                                                    
-HELIX    1   A SER A    3  GLU A   18  1                                  16    
-HELIX    2   B ASP A   20  SER A   35  1                                  16    
-HELIX    3   C HIS A   36  LYS A   42  1                                   7    
-HELIX    4   D THR A   51  ALA A   57  1                                   7    
-HELIX    5   E SER A   58  LYS A   77  1                                  20    
-HELIX    6   F LEU A   86  THR A   95  1BREAK AT PRO 88                   10    
-HELIX    7   G PRO A  100  ARG A  118  1                                  19    
-HELIX    8   H GLY A  124  LEU A  149  1                                  26    
-LINK        FE   HEM A 154                 C   CMO A 155     1555   1555  1.81  
-LINK        FE   HEM A 154                 NE2 HIS A  93     1555   1555  2.25  
-LINK        FE   HEM A 154                 O   CMO A 155     1555   1555  2.87  
-SITE     1 AC1  5 SER A   3  GLU A   4  THR A  51  GLU A  52                    
-SITE     2 AC1  5 HOH A 226                                                     
-SITE     1 AC2 18 LYS A  42  PHE A  43  ARG A  45  ALA A  71                    
-SITE     2 AC2 18 SER A  92  HIS A  93  HIS A  97  ILE A  99                    
-SITE     3 AC2 18 TYR A 103  LEU A 104  CMO A 155  HOH A 233                    
-SITE     4 AC2 18 HOH A 253  HOH A 271  HOH A 272  HOH A 317                    
-SITE     5 AC2 18 HOH A 323  HOH A 347                                          
-SITE     1 AC3  5 PHE A  29  PHE A  43  HIS A  64  VAL A  68                    
-SITE     2 AC3  5 HEM A 154                                                     
-CRYST1   91.200   91.200   45.870  90.00  90.00 120.00 P 6           6          
-ORIGX1      1.000000  0.000000  0.000000        0.00000                         
-ORIGX2      0.000000  1.000000  0.000000        0.00000                         
-ORIGX3      0.000000  0.000000  1.000000        0.00000                         
-SCALE1      0.010965  0.006331  0.000000        0.00000                         
-SCALE2      0.000000  0.012661  0.000000        0.00000                         
-SCALE3      0.000000  0.000000  0.021801        0.00000                         
-ATOM      1  N   MET A   0      24.469   8.585  -9.326  1.00 32.10           N  
-ATOM      2  CA  MET A   0      24.601   9.994  -9.681  1.00 30.90           C  
-ATOM      3  C   MET A   0      25.944  10.306 -10.289  1.00 29.60           C  
-ATOM      4  O   MET A   0      26.918   9.539 -10.173  1.00 29.80           O  
-ATOM      5  CB  MET A   0      24.503  10.799  -8.443  1.00 32.90           C  
-ATOM      6  CG  MET A   0      24.805   9.850  -7.309  1.00 35.10           C  
-ATOM      7  SD  MET A   0      23.984  10.383  -5.806  1.00 38.50           S  
-ATOM      8  CE  MET A   0      24.303  12.124  -5.958  1.00 34.10           C  
-ATOM      9  N   VAL A   1      25.996  11.432 -10.968  1.00 26.90           N  
-ATOM     10  CA  VAL A   1      27.234  11.837 -11.541  1.00 24.30           C  
-ATOM     11  C   VAL A   1      27.427  13.313 -11.259  1.00 22.60           C  
-ATOM     12  O   VAL A   1      26.490  14.099 -11.430  1.00 23.60           O  
-ATOM     13  CB  VAL A   1      27.237  11.567 -13.049  1.00 24.90           C  
-ATOM     14  CG1 VAL A   1      28.489  12.125 -13.702  1.00 23.90           C  
-ATOM     15  CG2 VAL A   1      27.144  10.065 -13.282  1.00 24.70           C  
-ATOM     16  N   LEU A   2      28.500  13.691 -10.573  1.00 18.70           N  
-ATOM     17  CA  LEU A   2      28.656  15.092 -10.349  1.00 16.00           C  
-ATOM     18  C   LEU A   2      29.287  15.716 -11.594  1.00 15.10           C  
-ATOM     19  O   LEU A   2      30.084  15.092 -12.306  1.00 14.80           O  
-ATOM     20  CB  LEU A   2      29.618  15.335  -9.163  1.00 15.00           C  
-ATOM     21  CG  LEU A   2      29.029  15.312  -7.735  1.00 14.60           C  
-ATOM     22  CD1 LEU A   2      28.651  13.884  -7.401  1.00 14.90           C  
-ATOM     23  CD2 LEU A   2      30.009  15.874  -6.718  1.00 14.60           C  
-ATOM     24  N   SER A   3      29.033  16.977 -11.850  1.00 14.50           N  
-ATOM     25  CA  SER A   3      29.743  17.610 -12.942  1.00 13.90           C  
-ATOM     26  C   SER A   3      31.121  18.038 -12.452  1.00 13.50           C  
-ATOM     27  O   SER A   3      31.395  18.081 -11.239  1.00 12.80           O  
-ATOM     28  CB  SER A   3      28.993  18.834 -13.376  1.00 15.50           C  
-ATOM     29  OG  SER A   3      28.998  19.793 -12.316  1.00 16.00           O  
-ATOM     30  N   GLU A   4      31.972  18.523 -13.353  1.00 12.80           N  
-ATOM     31  CA  GLU A   4      33.278  18.929 -12.936  1.00 13.70           C  
-ATOM     32  C   GLU A   4      33.183  20.195 -12.046  1.00 13.40           C  
-ATOM     33  O   GLU A   4      34.035  20.431 -11.185  1.00 14.10           O  
-ATOM     34  CB  GLU A   4      34.099  19.178 -14.233  1.00 15.30           C  
-ATOM     35  CG  GLU A   4      35.431  19.863 -14.007  1.00 16.70           C  
-ATOM     36  CD  GLU A   4      36.460  19.004 -13.280  1.00 19.40           C  
-ATOM     37  OE1 GLU A   4      36.273  17.805 -13.188  1.00 20.70           O  
-ATOM     38  OE2 GLU A   4      37.458  19.540 -12.766  1.00 21.40           O  
-ATOM     39  N   GLY A   5      32.226  21.100 -12.318  1.00 12.50           N  
-ATOM     40  CA  GLY A   5      32.084  22.297 -11.539  1.00 12.90           C  
-ATOM     41  C   GLY A   5      31.686  21.891 -10.102  1.00 13.00           C  
-ATOM     42  O   GLY A   5      32.142  22.483  -9.134  1.00 14.20           O  
-ATOM     43  N   GLU A   6      30.848  20.878  -9.917  1.00 12.80           N  
-ATOM     44  CA  GLU A   6      30.535  20.422  -8.561  1.00 13.40           C  
-ATOM     45  C   GLU A   6      31.783  19.871  -7.870  1.00 12.80           C  
-ATOM     46  O   GLU A   6      32.026  20.174  -6.678  1.00 11.30           O  
-ATOM     47  CB  GLU A   6      29.452  19.354  -8.592  1.00 13.30           C  
-ATOM     48  CG  GLU A   6      28.128  20.009  -9.030  1.00 16.00           C  
-ATOM     49  CD  GLU A   6      26.985  19.039  -9.373  1.00 16.10           C  
-ATOM     50  OE1 GLU A   6      27.224  17.951  -9.875  1.00 15.20           O  
-ATOM     51  OE2 GLU A   6      25.840  19.389  -9.159  1.00 18.40           O  
-ATOM     52  N   TRP A   7      32.511  18.963  -8.546  1.00 11.70           N  
-ATOM     53  CA  TRP A   7      33.728  18.436  -7.971  1.00 12.00           C  
-ATOM     54  C   TRP A   7      34.675  19.587  -7.626  1.00 12.30           C  
-ATOM     55  O   TRP A   7      35.382  19.548  -6.611  1.00 10.40           O  
-ATOM     56  CB  TRP A   7      34.449  17.477  -8.954  1.00 12.60           C  
-ATOM     57  CG  TRP A   7      33.816  16.086  -8.999  1.00 12.30           C  
-ATOM     58  CD1 TRP A   7      33.265  15.552 -10.154  1.00 11.40           C  
-ATOM     59  CD2 TRP A   7      33.725  15.238  -7.903  1.00 11.40           C  
-ATOM     60  NE1 TRP A   7      32.786  14.342  -9.790  1.00  9.60           N  
-ATOM     61  CE2 TRP A   7      33.012  14.130  -8.441  1.00 10.80           C  
-ATOM     62  CE3 TRP A   7      34.113  15.303  -6.563  1.00 10.00           C  
-ATOM     63  CZ2 TRP A   7      32.629  13.068  -7.597  1.00 10.80           C  
-ATOM     64  CZ3 TRP A   7      33.719  14.238  -5.745  1.00 11.50           C  
-ATOM     65  CH2 TRP A   7      32.971  13.144  -6.240  1.00 11.00           C  
-ATOM     66  N   GLN A   8      34.665  20.673  -8.420  1.00 12.20           N  
-ATOM     67  CA  GLN A   8      35.564  21.768  -8.131  1.00 13.70           C  
-ATOM     68  C   GLN A   8      35.201  22.434  -6.785  1.00 12.40           C  
-ATOM     69  O   GLN A   8      36.066  22.899  -6.013  1.00 12.40           O  
-ATOM     70  CB  GLN A   8      35.474  22.836  -9.230  1.00 17.00           C  
-ATOM     71  CG  GLN A   8      36.355  22.533 -10.403  1.00 24.50           C  
-ATOM     72  CD  GLN A   8      36.393  23.749 -11.332  1.00 30.30           C  
-ATOM     73  OE1 GLN A   8      35.685  23.750 -12.359  1.00 34.50           O  
-ATOM     74  NE2 GLN A   8      37.267  24.753 -11.078  1.00 32.90           N  
-ATOM     75  N   LEU A   9      33.919  22.605  -6.548  1.00 11.20           N  
-ATOM     76  CA  LEU A   9      33.506  23.214  -5.298  1.00 11.20           C  
-ATOM     77  C   LEU A   9      33.873  22.353  -4.112  1.00 11.40           C  
-ATOM     78  O   LEU A   9      34.296  22.890  -3.077  1.00 11.50           O  
-ATOM     79  CB  LEU A   9      32.014  23.461  -5.309  1.00 11.80           C  
-ATOM     80  CG  LEU A   9      31.540  24.533  -6.294  1.00 14.10           C  
-ATOM     81  CD1 LEU A   9      30.022  24.611  -6.350  1.00 14.00           C  
-ATOM     82  CD2 LEU A   9      32.145  25.858  -5.934  1.00 15.80           C  
-ATOM     83  N   VAL A  10      33.811  21.013  -4.269  1.00 10.80           N  
-ATOM     84  CA  VAL A  10      34.118  20.073  -3.175  1.00 10.30           C  
-ATOM     85  C   VAL A  10      35.600  20.028  -2.890  1.00 11.20           C  
-ATOM     86  O   VAL A  10      36.003  20.239  -1.746  1.00 10.80           O  
-ATOM     87  CB  VAL A  10      33.641  18.663  -3.578  1.00 10.70           C  
-ATOM     88  CG1 VAL A  10      34.214  17.583  -2.658  1.00 10.80           C  
-ATOM     89  CG2 VAL A  10      32.089  18.636  -3.650  1.00 10.30           C  
-ATOM     90  N   LEU A  11      36.463  20.080  -3.931  1.00 10.80           N  
-ATOM     91  CA  LEU A  11      37.891  19.964  -3.664  1.00 10.90           C  
-ATOM     92  C   LEU A  11      38.471  21.301  -3.277  1.00 10.90           C  
-ATOM     93  O   LEU A  11      39.386  21.342  -2.482  1.00 12.00           O  
-ATOM     94  CB  LEU A  11      38.571  19.402  -4.899  1.00 11.00           C  
-ATOM     95  CG  LEU A  11      38.132  18.011  -5.209  1.00 11.30           C  
-ATOM     96  CD1 LEU A  11      38.685  17.555  -6.528  1.00 13.70           C  
-ATOM     97  CD2 LEU A  11      38.540  17.102  -4.060  1.00 12.30           C  
-ATOM     98  N   HIS A  12      37.729  22.381  -3.526  1.00 11.10           N  
-ATOM     99  CA  HIS A  12      38.160  23.722  -3.137  1.00 11.80           C  
-ATOM    100  C   HIS A  12      37.957  23.883  -1.625  1.00 11.90           C  
-ATOM    101  O   HIS A  12      38.871  24.274  -0.914  1.00 12.20           O  
-ATOM    102  CB  HIS A  12      37.355  24.791  -3.867  1.00 12.90           C  
-ATOM    103  CG  HIS A  12      37.805  26.165  -3.370  1.00 16.30           C  
-ATOM    104  ND1 HIS A  12      39.093  26.918  -3.719  1.00 19.50           N  
-ATOM    105  CD2 HIS A  12      37.122  27.043  -2.559  1.00 17.40           C  
-ATOM    106  CE1 HIS A  12      39.070  28.073  -3.006  1.00 18.80           C  
-ATOM    107  NE2 HIS A  12      37.970  28.165  -2.300  1.00 19.20           N  
-ATOM    108  N   VAL A  13      36.844  23.411  -1.051  1.00 11.70           N  
-ATOM    109  CA  VAL A  13      36.758  23.584   0.426  1.00 11.40           C  
-ATOM    110  C   VAL A  13      37.553  22.459   1.108  1.00 10.80           C  
-ATOM    111  O   VAL A  13      38.117  22.655   2.205  1.00 10.60           O  
-ATOM    112  CB  VAL A  13      35.276  23.617   0.894  1.00 11.40           C  
-ATOM    113  CG1 VAL A  13      34.582  22.318   0.585  1.00 12.60           C  
-ATOM    114  CG2 VAL A  13      35.215  23.933   2.383  1.00 12.80           C  
-ATOM    115  N   TRP A  14      37.714  21.294   0.424  1.00 10.30           N  
-ATOM    116  CA  TRP A  14      38.494  20.247   1.037  1.00 10.30           C  
-ATOM    117  C   TRP A  14      39.943  20.682   1.169  1.00 10.50           C  
-ATOM    118  O   TRP A  14      40.644  20.230   2.101  1.00 11.50           O  
-ATOM    119  CB  TRP A  14      38.450  18.932   0.233  1.00 11.50           C  
-ATOM    120  CG  TRP A  14      38.916  17.754   1.097  1.00 11.60           C  
-ATOM    121  CD1 TRP A  14      40.141  17.178   0.918  1.00 13.40           C  
-ATOM    122  CD2 TRP A  14      38.217  17.209   2.188  1.00 14.50           C  
-ATOM    123  NE1 TRP A  14      40.237  16.258   1.892  1.00 12.20           N  
-ATOM    124  CE2 TRP A  14      39.105  16.226   2.639  1.00 13.70           C  
-ATOM    125  CE3 TRP A  14      36.975  17.430   2.804  1.00 15.10           C  
-ATOM    126  CZ2 TRP A  14      38.766  15.402   3.680  1.00 15.60           C  
-ATOM    127  CZ3 TRP A  14      36.639  16.619   3.876  1.00 16.90           C  
-ATOM    128  CH2 TRP A  14      37.524  15.603   4.292  1.00 17.70           C  
-ATOM    129  N   ALA A  15      40.439  21.527   0.246  1.00  9.40           N  
-ATOM    130  CA  ALA A  15      41.812  21.965   0.330  1.00  9.60           C  
-ATOM    131  C   ALA A  15      42.082  22.823   1.565  1.00 11.00           C  
-ATOM    132  O   ALA A  15      43.156  22.758   2.191  1.00 11.00           O  
-ATOM    133  CB  ALA A  15      42.113  22.768  -0.927  1.00 10.10           C  
-ATOM    134  N   LYS A  16      41.018  23.459   2.069  1.00 11.50           N  
-ATOM    135  CA  LYS A  16      41.086  24.265   3.301  1.00 12.40           C  
-ATOM    136  C   LYS A  16      41.106  23.285   4.460  1.00 11.40           C  
-ATOM    137  O   LYS A  16      41.808  23.507   5.415  1.00 11.00           O  
-ATOM    138  CB  LYS A  16      39.844  25.133   3.455  1.00 13.20           C  
-ATOM    139  CG  LYS A  16      39.618  26.082   2.282  1.00 15.60           C  
-ATOM    140  CD  LYS A  16      40.881  26.837   1.961  1.00 18.50           C  
-ATOM    141  CE  LYS A  16      40.530  27.988   1.024  1.00 22.90           C  
-ATOM    142  NZ  LYS A  16      41.616  28.256   0.085  1.00 24.80           N  
-ATOM    143  N   VAL A  17      40.239  22.274   4.509  1.00  9.40           N  
-ATOM    144  CA  VAL A  17      40.305  21.294   5.573  1.00  9.40           C  
-ATOM    145  C   VAL A  17      41.728  20.708   5.720  1.00 10.00           C  
-ATOM    146  O   VAL A  17      42.223  20.367   6.814  1.00  9.70           O  
-ATOM    147  CB  VAL A  17      39.324  20.173   5.204  1.00  9.40           C  
-ATOM    148  CG1 VAL A  17      39.488  18.944   6.106  1.00  9.90           C  
-ATOM    149  CG2 VAL A  17      37.919  20.726   5.289  1.00  9.80           C  
-ATOM    150  N   GLU A  18      42.319  20.335   4.592  1.00  9.80           N  
-ATOM    151  CA  GLU A  18      43.662  19.763   4.603  1.00 10.10           C  
-ATOM    152  C   GLU A  18      44.722  20.679   5.224  1.00  9.50           C  
-ATOM    153  O   GLU A  18      45.843  20.217   5.471  1.00 10.00           O  
-ATOM    154  CB  GLU A  18      44.056  19.291   3.216  1.00 10.20           C  
-ATOM    155  CG  GLU A  18      43.212  18.111   2.806  1.00 11.30           C  
-ATOM    156  CD  GLU A  18      43.664  17.563   1.467  1.00 13.30           C  
-ATOM    157  OE1 GLU A  18      44.296  18.263   0.724  1.00 13.60           O  
-ATOM    158  OE2 GLU A  18      43.571  16.384   1.275  1.00 15.40           O  
-ATOM    159  N   ALA A  19      44.434  21.958   5.451  1.00  8.90           N  
-ATOM    160  CA  ALA A  19      45.423  22.792   6.152  1.00  9.90           C  
-ATOM    161  C   ALA A  19      45.454  22.417   7.644  1.00 10.40           C  
-ATOM    162  O   ALA A  19      46.499  22.566   8.305  1.00 12.10           O  
-ATOM    163  CB  ALA A  19      45.049  24.263   6.137  1.00  9.00           C  
-ATOM    164  N   ASP A  20      44.439  21.679   8.162  1.00 10.10           N  
-ATOM    165  CA  ASP A  20      44.504  21.259   9.585  1.00 11.10           C  
-ATOM    166  C   ASP A  20      43.673  19.968   9.663  1.00 10.00           C  
-ATOM    167  O   ASP A  20      42.575  19.968  10.220  1.00 10.20           O  
-ATOM    168  CB  ASP A  20      43.889  22.341  10.475  1.00 12.40           C  
-ATOM    169  CG  ASP A  20      43.832  21.899  11.948  1.00 15.50           C  
-ATOM    170  OD1 ASP A  20      44.505  20.950  12.342  1.00 13.30           O  
-ATOM    171  OD2 ASP A  20      43.035  22.479  12.679  1.00 18.50           O  
-ATOM    172  N   VAL A  21      44.188  18.843   9.219  1.00  8.90           N  
-ATOM    173  CA  VAL A  21      43.353  17.658   9.212  1.00  9.60           C  
-ATOM    174  C   VAL A  21      43.015  17.139  10.617  1.00  8.80           C  
-ATOM    175  O   VAL A  21      41.834  16.882  10.886  1.00  8.00           O  
-ATOM    176  CB  VAL A  21      44.004  16.525   8.348  1.00 11.70           C  
-ATOM    177  CG1 VAL A  21      43.150  15.256   8.393  1.00 13.90           C  
-ATOM    178  CG2 VAL A  21      43.982  16.990   6.903  1.00 13.60           C  
-ATOM    179  N   ALA A  22      43.981  17.211  11.552  1.00  8.20           N  
-ATOM    180  CA  ALA A  22      43.703  16.702  12.890  1.00  9.30           C  
-ATOM    181  C   ALA A  22      42.683  17.579  13.631  1.00  9.90           C  
-ATOM    182  O   ALA A  22      41.701  17.036  14.192  1.00 11.10           O  
-ATOM    183  CB  ALA A  22      44.982  16.661  13.688  1.00 10.00           C  
-ATOM    184  N   GLY A  23      42.709  18.922  13.462  1.00  8.50           N  
-ATOM    185  CA  GLY A  23      41.704  19.702  14.125  1.00  8.30           C  
-ATOM    186  C   GLY A  23      40.327  19.456  13.517  1.00  8.60           C  
-ATOM    187  O   GLY A  23      39.355  19.461  14.235  1.00  8.40           O  
-ATOM    188  N   HIS A  24      40.204  19.323  12.173  1.00  7.70           N  
-ATOM    189  CA  HIS A  24      38.898  19.083  11.570  1.00  9.00           C  
-ATOM    190  C   HIS A  24      38.393  17.732  12.036  1.00  9.00           C  
-ATOM    191  O   HIS A  24      37.205  17.589  12.261  1.00  9.30           O  
-ATOM    192  CB  HIS A  24      38.975  19.058  10.017  1.00  8.10           C  
-ATOM    193  CG  HIS A  24      39.046  20.477   9.560  1.00  9.60           C  
-ATOM    194  ND1 HIS A  24      40.126  21.191   9.463  1.00  9.30           N  
-ATOM    195  CD2 HIS A  24      38.017  21.274   8.986  1.00  9.90           C  
-ATOM    196  CE1 HIS A  24      39.855  22.420   8.934  1.00  9.90           C  
-ATOM    197  NE2 HIS A  24      38.568  22.501   8.603  1.00 10.30           N  
-ATOM    198  N   GLY A  25      39.276  16.707  12.100  1.00  8.70           N  
-ATOM    199  CA  GLY A  25      38.821  15.388  12.560  1.00  8.70           C  
-ATOM    200  C   GLY A  25      38.224  15.477  13.956  1.00  9.40           C  
-ATOM    201  O   GLY A  25      37.233  14.816  14.260  1.00  9.60           O  
-ATOM    202  N   GLN A  26      38.889  16.156  14.884  1.00 10.10           N  
-ATOM    203  CA  GLN A  26      38.317  16.272  16.225  1.00 11.80           C  
-ATOM    204  C   GLN A  26      36.939  16.919  16.197  1.00 10.90           C  
-ATOM    205  O   GLN A  26      36.014  16.462  16.868  1.00 10.50           O  
-ATOM    206  CB  GLN A  26      39.228  17.126  17.117  1.00 13.50           C  
-ATOM    207  CG  GLN A  26      40.535  16.449  17.447  1.00 16.90           C  
-ATOM    208  CD  GLN A  26      41.363  17.296  18.380  1.00 19.60           C  
-ATOM    209  OE1 GLN A  26      41.641  16.945  19.569  1.00 21.60           O  
-ATOM    210  NE2 GLN A  26      41.798  18.424  17.851  1.00 21.90           N  
-ATOM    211  N   ASP A  27      36.810  18.101  15.592  1.00 10.50           N  
-ATOM    212  CA  ASP A  27      35.521  18.758  15.577  1.00 11.10           C  
-ATOM    213  C   ASP A  27      34.440  17.844  15.043  1.00 10.40           C  
-ATOM    214  O   ASP A  27      33.304  17.867  15.468  1.00 11.00           O  
-ATOM    215  CB  ASP A  27      35.623  19.985  14.671  1.00 14.10           C  
-ATOM    216  CG  ASP A  27      36.347  21.170  15.294  1.00 17.30           C  
-ATOM    217  OD1 ASP A  27      36.999  21.001  16.330  1.00 17.60           O  
-ATOM    218  OD2 ASP A  27      36.611  22.088  14.544  1.00 17.70           O  
-ATOM    219  N   ILE A  28      34.711  17.186  13.914  1.00  8.90           N  
-ATOM    220  CA  ILE A  28      33.717  16.312  13.339  1.00  9.40           C  
-ATOM    221  C   ILE A  28      33.305  15.192  14.296  1.00 10.00           C  
-ATOM    222  O   ILE A  28      32.118  14.831  14.413  1.00  9.30           O  
-ATOM    223  CB  ILE A  28      34.306  15.767  12.002  1.00  8.80           C  
-ATOM    224  CG1 ILE A  28      34.209  16.877  10.942  1.00  9.10           C  
-ATOM    225  CG2 ILE A  28      33.599  14.505  11.546  1.00 10.00           C  
-ATOM    226  CD1 ILE A  28      35.135  16.672   9.702  1.00  8.90           C  
-ATOM    227  N   PHE A  29      34.286  14.478  14.866  1.00  9.10           N  
-ATOM    228  CA  PHE A  29      33.893  13.359  15.738  1.00 11.00           C  
-ATOM    229  C   PHE A  29      33.203  13.835  17.020  1.00 11.50           C  
-ATOM    230  O   PHE A  29      32.260  13.184  17.538  1.00 12.00           O  
-ATOM    231  CB  PHE A  29      35.119  12.508  16.036  1.00 10.80           C  
-ATOM    232  CG  PHE A  29      35.270  11.447  14.947  1.00 12.00           C  
-ATOM    233  CD1 PHE A  29      34.446  10.327  14.953  1.00 11.90           C  
-ATOM    234  CD2 PHE A  29      36.170  11.639  13.898  1.00 13.00           C  
-ATOM    235  CE1 PHE A  29      34.483   9.395  13.910  1.00 12.00           C  
-ATOM    236  CE2 PHE A  29      36.208  10.707  12.853  1.00 14.50           C  
-ATOM    237  CZ  PHE A  29      35.357   9.592  12.852  1.00 14.20           C  
-ATOM    238  N   ILE A  30      33.627  14.977  17.530  1.00 11.40           N  
-ATOM    239  CA  ILE A  30      32.968  15.485  18.718  1.00 12.90           C  
-ATOM    240  C   ILE A  30      31.525  15.876  18.382  1.00 13.50           C  
-ATOM    241  O   ILE A  30      30.590  15.506  19.085  1.00 12.20           O  
-ATOM    242  CB  ILE A  30      33.777  16.676  19.308  1.00 13.30           C  
-ATOM    243  CG1 ILE A  30      35.041  16.100  19.978  1.00 13.00           C  
-ATOM    244  CG2 ILE A  30      32.877  17.491  20.253  1.00 13.80           C  
-ATOM    245  CD1 ILE A  30      36.061  17.155  20.388  1.00 14.10           C  
-ATOM    246  N   ARG A  31      31.322  16.516  17.226  1.00 13.00           N  
-ATOM    247  CA  ARG A  31      29.971  16.872  16.823  1.00 14.00           C  
-ATOM    248  C   ARG A  31      29.147  15.593  16.666  1.00 13.30           C  
-ATOM    249  O   ARG A  31      28.018  15.472  17.148  1.00 13.50           O  
-ATOM    250  CB  ARG A  31      30.080  17.624  15.488  1.00 14.90           C  
-ATOM    251  CG  ARG A  31      28.781  17.929  14.770  1.00 18.60           C  
-ATOM    252  CD  ARG A  31      27.953  18.872  15.623  1.00 22.20           C  
-ATOM    253  NE  ARG A  31      26.666  18.988  14.983  1.00 26.40           N  
-ATOM    254  CZ  ARG A  31      25.789  19.808  15.517  1.00 27.60           C  
-ATOM    255  NH1 ARG A  31      26.201  20.605  16.493  1.00 29.70           N  
-ATOM    256  NH2 ARG A  31      24.579  19.949  14.952  1.00 28.50           N  
-ATOM    257  N   LEU A  32      29.722  14.586  16.014  1.00 12.00           N  
-ATOM    258  CA  LEU A  32      28.973  13.351  15.826  1.00 13.70           C  
-ATOM    259  C   LEU A  32      28.558  12.695  17.179  1.00 14.00           C  
-ATOM    260  O   LEU A  32      27.403  12.278  17.381  1.00 12.80           O  
-ATOM    261  CB  LEU A  32      29.842  12.332  15.030  1.00 12.90           C  
-ATOM    262  CG  LEU A  32      29.249  10.922  14.876  1.00 13.90           C  
-ATOM    263  CD1 LEU A  32      28.053  10.963  13.895  1.00 13.10           C  
-ATOM    264  CD2 LEU A  32      30.306   9.899  14.398  1.00 13.30           C  
-ATOM    265  N   PHE A  33      29.562  12.523  18.075  1.00 15.00           N  
-ATOM    266  CA  PHE A  33      29.297  11.848  19.346  1.00 16.10           C  
-ATOM    267  C   PHE A  33      28.346  12.680  20.195  1.00 18.00           C  
-ATOM    268  O   PHE A  33      27.580  12.137  20.990  1.00 18.80           O  
-ATOM    269  CB  PHE A  33      30.612  11.670  20.066  1.00 14.40           C  
-ATOM    270  CG  PHE A  33      31.555  10.740  19.344  1.00 13.50           C  
-ATOM    271  CD1 PHE A  33      31.022   9.741  18.508  1.00 13.00           C  
-ATOM    272  CD2 PHE A  33      32.931  10.814  19.615  1.00 14.00           C  
-ATOM    273  CE1 PHE A  33      31.895   8.799  17.962  1.00 13.10           C  
-ATOM    274  CE2 PHE A  33      33.790   9.855  19.077  1.00 14.30           C  
-ATOM    275  CZ  PHE A  33      33.272   8.846  18.248  1.00 12.90           C  
-ATOM    276  N   LYS A  34      28.367  13.994  20.070  1.00 19.00           N  
-ATOM    277  CA  LYS A  34      27.448  14.737  20.888  1.00 21.50           C  
-ATOM    278  C   LYS A  34      26.064  14.645  20.296  1.00 21.10           C  
-ATOM    279  O   LYS A  34      25.084  14.723  21.025  1.00 21.50           O  
-ATOM    280  CB  LYS A  34      27.848  16.211  20.964  1.00 23.90           C  
-ATOM    281  CG  LYS A  34      28.951  16.447  21.992  1.00 29.00           C  
-ATOM    282  CD  LYS A  34      28.972  17.905  22.514  1.00 33.60           C  
-ATOM    283  CE  LYS A  34      29.077  18.939  21.367  1.00 36.10           C  
-ATOM    284  NZ  LYS A  34      29.464  20.283  21.816  1.00 37.80           N  
-ATOM    285  N   SER A  35      25.935  14.830  18.974  1.00 20.20           N  
-ATOM    286  CA  SER A  35      24.619  14.846  18.384  1.00 19.60           C  
-ATOM    287  C   SER A  35      23.931  13.487  18.372  1.00 19.50           C  
-ATOM    288  O   SER A  35      22.734  13.422  18.216  1.00 18.70           O  
-ATOM    289  CB  SER A  35      24.758  15.340  16.954  1.00 20.40           C  
-ATOM    290  OG  SER A  35      25.241  16.661  16.999  1.00 22.40           O  
-ATOM    291  N   HIS A  36      24.710  12.441  18.132  1.00 18.70           N  
-ATOM    292  CA  HIS A  36      24.183  11.113  18.037  1.00 18.10           C  
-ATOM    293  C   HIS A  36      25.049  10.205  18.845  1.00 17.90           C  
-ATOM    294  O   HIS A  36      25.744   9.344  18.300  1.00 17.60           O  
-ATOM    295  CB  HIS A  36      24.176  10.675  16.569  1.00 18.30           C  
-ATOM    296  CG  HIS A  36      23.507  11.649  15.646  1.00 18.40           C  
-ATOM    297  ND1 HIS A  36      22.169  11.648  15.368  1.00 18.40           N  
-ATOM    298  CD2 HIS A  36      24.052  12.604  14.881  1.00 17.10           C  
-ATOM    299  CE1 HIS A  36      21.918  12.585  14.419  1.00 18.30           C  
-ATOM    300  NE2 HIS A  36      23.004  13.108  14.091  1.00 18.90           N  
-ATOM    301  N   PRO A  37      24.721  10.155  20.150  1.00 17.90           N  
-ATOM    302  CA  PRO A  37      25.481   9.433  21.146  1.00 17.50           C  
-ATOM    303  C   PRO A  37      25.495   7.972  20.884  1.00 17.70           C  
-ATOM    304  O   PRO A  37      26.410   7.251  21.290  1.00 17.70           O  
-ATOM    305  CB  PRO A  37      24.803   9.785  22.445  1.00 17.70           C  
-ATOM    306  CG  PRO A  37      24.132  11.115  22.215  1.00 18.10           C  
-ATOM    307  CD  PRO A  37      23.805  11.148  20.737  1.00 17.60           C  
-ATOM    308  N   GLU A  38      24.444   7.488  20.273  1.00 18.50           N  
-ATOM    309  CA  GLU A  38      24.487   6.064  19.992  1.00 19.50           C  
-ATOM    310  C   GLU A  38      25.701   5.687  19.118  1.00 19.20           C  
-ATOM    311  O   GLU A  38      26.168   4.570  19.189  1.00 20.10           O  
-ATOM    312  CB  GLU A  38      23.202   5.614  19.316  1.00 19.40           C  
-ATOM    313  CG  GLU A  38      22.992   6.181  17.931  1.00 21.60           C  
-ATOM    314  CD  GLU A  38      22.121   7.417  17.972  1.00 24.50           C  
-ATOM    315  OE1 GLU A  38      22.242   8.206  18.925  1.00 24.90           O  
-ATOM    316  OE2 GLU A  38      21.316   7.594  17.059  1.00 26.50           O  
-ATOM    317  N   THR A  39      26.180   6.551  18.199  1.00 17.80           N  
-ATOM    318  CA  THR A  39      27.330   6.161  17.391  1.00 16.80           C  
-ATOM    319  C   THR A  39      28.606   5.888  18.218  1.00 17.00           C  
-ATOM    320  O   THR A  39      29.448   5.043  17.858  1.00 17.50           O  
-ATOM    321  CB  THR A  39      27.603   7.258  16.349  1.00 15.50           C  
-ATOM    322  OG1 THR A  39      27.925   8.490  17.030  1.00 13.90           O  
-ATOM    323  CG2 THR A  39      26.435   7.386  15.438  1.00 14.40           C  
-ATOM    324  N   LEU A  40      28.752   6.521  19.393  1.00 16.10           N  
-ATOM    325  CA  LEU A  40      29.921   6.316  20.208  1.00 16.90           C  
-ATOM    326  C   LEU A  40      30.003   4.879  20.661  1.00 17.50           C  
-ATOM    327  O   LEU A  40      31.098   4.343  20.883  1.00 17.30           O  
-ATOM    328  CB  LEU A  40      29.824   7.186  21.446  1.00 17.60           C  
-ATOM    329  CG  LEU A  40      30.983   7.150  22.419  1.00 18.20           C  
-ATOM    330  CD1 LEU A  40      32.315   7.363  21.698  1.00 20.60           C  
-ATOM    331  CD2 LEU A  40      30.813   8.268  23.420  1.00 19.10           C  
-ATOM    332  N   GLU A  41      28.845   4.220  20.796  1.00 18.70           N  
-ATOM    333  CA  GLU A  41      28.861   2.856  21.274  1.00 20.50           C  
-ATOM    334  C   GLU A  41      29.534   1.934  20.316  1.00 20.30           C  
-ATOM    335  O   GLU A  41      29.801   0.785  20.657  1.00 19.90           O  
-ATOM    336  CB  GLU A  41      27.465   2.323  21.441  1.00 24.60           C  
-ATOM    337  CG  GLU A  41      26.692   3.047  22.523  1.00 31.60           C  
-ATOM    338  CD  GLU A  41      25.404   2.317  22.839  1.00 35.80           C  
-ATOM    339  OE1 GLU A  41      25.448   1.502  23.784  1.00 38.50           O  
-ATOM    340  OE2 GLU A  41      24.348   2.671  22.249  1.00 38.60           O  
-ATOM    341  N   LYS A  42      29.670   2.359  19.068  1.00 18.70           N  
-ATOM    342  CA  LYS A  42      30.279   1.495  18.102  1.00 18.40           C  
-ATOM    343  C   LYS A  42      31.770   1.453  18.203  1.00 17.60           C  
-ATOM    344  O   LYS A  42      32.378   0.538  17.699  1.00 17.40           O  
-ATOM    345  CB  LYS A  42      29.925   1.979  16.699  1.00 18.70           C  
-ATOM    346  CG  LYS A  42      28.491   1.604  16.316  1.00 21.30           C  
-ATOM    347  CD  LYS A  42      28.384   0.087  16.130  1.00 21.20           C  
-ATOM    348  CE  LYS A  42      26.991  -0.215  15.675  1.00 21.40           C  
-ATOM    349  NZ  LYS A  42      26.860  -1.625  15.428  1.00 22.00           N  
-ATOM    350  N   PHE A  43      32.364   2.317  18.999  1.00 16.70           N  
-ATOM    351  CA  PHE A  43      33.807   2.350  19.085  1.00 18.40           C  
-ATOM    352  C   PHE A  43      34.286   1.731  20.394  1.00 19.70           C  
-ATOM    353  O   PHE A  43      34.381   2.466  21.375  1.00 18.70           O  
-ATOM    354  CB  PHE A  43      34.308   3.819  19.030  1.00 16.30           C  
-ATOM    355  CG  PHE A  43      34.065   4.448  17.641  1.00 17.20           C  
-ATOM    356  CD1 PHE A  43      32.863   5.100  17.363  1.00 15.70           C  
-ATOM    357  CD2 PHE A  43      35.048   4.374  16.642  1.00 17.50           C  
-ATOM    358  CE1 PHE A  43      32.628   5.715  16.128  1.00 16.00           C  
-ATOM    359  CE2 PHE A  43      34.801   4.986  15.394  1.00 17.00           C  
-ATOM    360  CZ  PHE A  43      33.608   5.670  15.147  1.00 15.90           C  
-ATOM    361  N   ASP A  44      34.793   0.495  20.391  1.00 21.40           N  
-ATOM    362  CA  ASP A  44      35.272  -0.052  21.660  1.00 24.10           C  
-ATOM    363  C   ASP A  44      36.431   0.731  22.271  1.00 23.80           C  
-ATOM    364  O   ASP A  44      36.417   0.981  23.472  1.00 23.60           O  
-ATOM    365  CB  ASP A  44      35.758  -1.476  21.483  1.00 27.90           C  
-ATOM    366  CG  ASP A  44      34.577  -2.407  21.302  1.00 32.90           C  
-ATOM    367  OD1 ASP A  44      33.439  -1.956  21.590  1.00 34.80           O  
-ATOM    368  OD2 ASP A  44      34.734  -3.300  20.438  1.00 36.80           O  
-ATOM    369  N   ARG A  45      37.151   1.493  21.460  1.00 22.70           N  
-ATOM    370  CA  ARG A  45      38.290   2.238  21.955  1.00 22.40           C  
-ATOM    371  C   ARG A  45      37.846   3.520  22.637  1.00 21.10           C  
-ATOM    372  O   ARG A  45      38.636   4.185  23.313  1.00 20.60           O  
-ATOM    373  CB  ARG A  45      39.148   2.671  20.759  1.00 25.20           C  
-ATOM    374  CG  ARG A  45      40.497   2.001  20.550  1.00 29.50           C  
-ATOM    375  CD  ARG A  45      41.038   2.181  19.098  1.00 31.50           C  
-ATOM    376  NE  ARG A  45      42.020   3.254  18.928  1.00 33.80           N  
-ATOM    377  CZ  ARG A  45      42.052   3.976  17.771  1.00 36.00           C  
-ATOM    378  NH1 ARG A  45      41.362   3.574  16.705  1.00 36.10           N  
-ATOM    379  NH2 ARG A  45      42.942   4.989  17.573  1.00 37.50           N  
-ATOM    380  N   PHE A  46      36.704   4.067  22.226  1.00 19.70           N  
-ATOM    381  CA  PHE A  46      36.337   5.381  22.752  1.00 19.30           C  
-ATOM    382  C   PHE A  46      35.017   5.462  23.524  1.00 18.70           C  
-ATOM    383  O   PHE A  46      34.666   6.531  24.034  1.00 17.50           O  
-ATOM    384  CB  PHE A  46      36.169   6.401  21.588  1.00 19.40           C  
-ATOM    385  CG  PHE A  46      37.296   6.508  20.595  1.00 19.70           C  
-ATOM    386  CD1 PHE A  46      38.585   6.690  21.033  1.00 20.00           C  
-ATOM    387  CD2 PHE A  46      37.043   6.203  19.252  1.00 20.60           C  
-ATOM    388  CE1 PHE A  46      39.627   6.525  20.136  1.00 20.90           C  
-ATOM    389  CE2 PHE A  46      38.103   6.030  18.361  1.00 20.20           C  
-ATOM    390  CZ  PHE A  46      39.399   6.185  18.802  1.00 20.60           C  
-ATOM    391  N   LYS A  47      34.309   4.361  23.720  1.00 18.50           N  
-ATOM    392  CA  LYS A  47      33.026   4.528  24.329  1.00 20.40           C  
-ATOM    393  C   LYS A  47      33.042   4.853  25.820  1.00 20.40           C  
-ATOM    394  O   LYS A  47      32.012   5.149  26.363  1.00 21.10           O  
-ATOM    395  CB  LYS A  47      32.198   3.313  24.082  1.00 21.30           C  
-ATOM    396  CG  LYS A  47      32.828   2.089  24.677  1.00 24.70           C  
-ATOM    397  CD  LYS A  47      31.817   1.003  24.433  1.00 28.00           C  
-ATOM    398  CE  LYS A  47      32.408  -0.308  24.874  1.00 31.60           C  
-ATOM    399  NZ  LYS A  47      31.595  -1.337  24.248  1.00 36.30           N  
-ATOM    400  N   HIS A  48      34.189   4.948  26.459  1.00 19.60           N  
-ATOM    401  CA  HIS A  48      34.180   5.309  27.872  1.00 19.60           C  
-ATOM    402  C   HIS A  48      34.246   6.822  28.005  1.00 19.30           C  
-ATOM    403  O   HIS A  48      34.200   7.351  29.107  1.00 19.40           O  
-ATOM    404  CB  HIS A  48      35.416   4.747  28.588  1.00 19.60           C  
-ATOM    405  CG  HIS A  48      36.693   5.176  27.917  1.00 21.00           C  
-ATOM    406  ND1 HIS A  48      37.146   4.853  26.557  1.00 21.20           N  
-ATOM    407  CD2 HIS A  48      37.611   6.103  28.380  1.00 21.80           C  
-ATOM    408  CE1 HIS A  48      38.234   5.528  26.207  1.00 22.40           C  
-ATOM    409  NE2 HIS A  48      38.516   6.263  27.281  1.00 22.90           N  
-ATOM    410  N   LEU A  49      34.479   7.550  26.902  1.00 18.00           N  
-ATOM    411  CA  LEU A  49      34.621   8.984  26.976  1.00 17.90           C  
-ATOM    412  C   LEU A  49      33.302   9.612  27.398  1.00 17.70           C  
-ATOM    413  O   LEU A  49      32.261   9.369  26.798  1.00 18.10           O  
-ATOM    414  CB  LEU A  49      35.114   9.500  25.609  1.00 17.70           C  
-ATOM    415  CG  LEU A  49      36.513   9.042  25.211  1.00 16.60           C  
-ATOM    416  CD1 LEU A  49      36.846   9.523  23.818  1.00 17.30           C  
-ATOM    417  CD2 LEU A  49      37.530   9.569  26.187  1.00 17.80           C  
-ATOM    418  N   LYS A  50      33.311  10.401  28.465  1.00 17.20           N  
-ATOM    419  CA  LYS A  50      32.050  10.929  28.999  1.00 17.60           C  
-ATOM    420  C   LYS A  50      31.757  12.390  28.673  1.00 16.80           C  
-ATOM    421  O   LYS A  50      30.605  12.768  28.686  1.00 18.70           O  
-ATOM    422  CB  LYS A  50      32.024  10.826  30.536  1.00 18.80           C  
-ATOM    423  CG  LYS A  50      32.497   9.490  31.115  1.00 20.60           C  
-ATOM    424  CD  LYS A  50      32.702   9.628  32.646  1.00 22.50           C  
-ATOM    425  CE  LYS A  50      32.822   8.262  33.359  1.00 23.10           C  
-ATOM    426  NZ  LYS A  50      31.633   7.440  33.128  1.00 23.70           N  
-ATOM    427  N   THR A  51      32.741  13.218  28.375  1.00 15.20           N  
-ATOM    428  CA  THR A  51      32.508  14.621  28.104  1.00 14.70           C  
-ATOM    429  C   THR A  51      33.262  15.082  26.847  1.00 15.20           C  
-ATOM    430  O   THR A  51      34.356  14.540  26.507  1.00 15.10           O  
-ATOM    431  CB  THR A  51      32.987  15.478  29.330  1.00 14.00           C  
-ATOM    432  OG1 THR A  51      34.418  15.337  29.467  1.00 13.90           O  
-ATOM    433  CG2 THR A  51      32.342  15.007  30.617  1.00 14.10           C  
-ATOM    434  N   GLU A  52      32.956  16.312  26.416  1.00 15.80           N  
-ATOM    435  CA  GLU A  52      33.621  16.858  25.266  1.00 16.40           C  
-ATOM    436  C   GLU A  52      35.035  17.193  25.626  1.00 16.30           C  
-ATOM    437  O   GLU A  52      35.973  16.903  24.858  1.00 16.40           O  
-ATOM    438  CB  GLU A  52      32.928  18.109  24.815  1.00 18.80           C  
-ATOM    439  CG  GLU A  52      33.772  18.858  23.782  1.00 23.30           C  
-ATOM    440  CD  GLU A  52      32.962  20.001  23.162  1.00 26.40           C  
-ATOM    441  OE1 GLU A  52      31.723  19.990  23.363  1.00 28.20           O  
-ATOM    442  OE2 GLU A  52      33.563  20.899  22.521  1.00 28.10           O  
-ATOM    443  N   ALA A  53      35.232  17.458  26.936  1.00 15.10           N  
-ATOM    444  CA  ALA A  53      36.527  17.780  27.398  1.00 14.50           C  
-ATOM    445  C   ALA A  53      37.340  16.524  27.325  1.00 14.60           C  
-ATOM    446  O   ALA A  53      38.488  16.528  26.859  1.00 15.70           O  
-ATOM    447  CB  ALA A  53      36.444  18.222  28.872  1.00 15.70           C  
-ATOM    448  N   GLU A  54      36.777  15.373  27.653  1.00 14.10           N  
-ATOM    449  CA  GLU A  54      37.586  14.181  27.573  1.00 13.70           C  
-ATOM    450  C   GLU A  54      37.879  13.844  26.131  1.00 13.80           C  
-ATOM    451  O   GLU A  54      38.936  13.313  25.784  1.00 12.60           O  
-ATOM    452  CB  GLU A  54      36.822  13.036  28.207  1.00 14.90           C  
-ATOM    453  CG  GLU A  54      37.016  13.075  29.708  1.00 16.40           C  
-ATOM    454  CD  GLU A  54      36.336  11.939  30.459  1.00 18.40           C  
-ATOM    455  OE1 GLU A  54      35.726  11.081  29.818  1.00 18.60           O  
-ATOM    456  OE2 GLU A  54      36.276  12.013  31.706  1.00 19.30           O  
-ATOM    457  N   MET A  55      36.907  14.071  25.265  1.00 14.00           N  
-ATOM    458  CA  MET A  55      37.130  13.794  23.840  1.00 14.30           C  
-ATOM    459  C   MET A  55      38.236  14.644  23.239  1.00 14.40           C  
-ATOM    460  O   MET A  55      39.065  14.150  22.485  1.00 13.50           O  
-ATOM    461  CB  MET A  55      35.863  14.099  23.112  1.00 14.70           C  
-ATOM    462  CG  MET A  55      34.840  12.968  23.312  1.00 15.60           C  
-ATOM    463  SD  MET A  55      33.234  13.504  22.733  1.00 17.00           S  
-ATOM    464  CE  MET A  55      32.260  12.327  23.659  1.00 18.80           C  
-ATOM    465  N   LYS A  56      38.250  15.936  23.535  1.00 15.10           N  
-ATOM    466  CA  LYS A  56      39.300  16.737  22.969  1.00 17.70           C  
-ATOM    467  C   LYS A  56      40.652  16.303  23.428  1.00 17.50           C  
-ATOM    468  O   LYS A  56      41.651  16.706  22.826  1.00 17.70           O  
-ATOM    469  CB  LYS A  56      39.194  18.180  23.362  1.00 20.10           C  
-ATOM    470  CG  LYS A  56      37.837  18.698  23.006  1.00 25.50           C  
-ATOM    471  CD  LYS A  56      37.843  20.211  23.195  1.00 29.90           C  
-ATOM    472  CE  LYS A  56      36.597  20.802  22.549  1.00 31.90           C  
-ATOM    473  NZ  LYS A  56      36.711  22.242  22.536  1.00 34.50           N  
-ATOM    474  N   ALA A  57      40.710  15.880  24.689  1.00 16.60           N  
-ATOM    475  CA  ALA A  57      41.984  15.488  25.250  1.00 15.80           C  
-ATOM    476  C   ALA A  57      42.436  14.115  24.804  1.00 16.50           C  
-ATOM    477  O   ALA A  57      43.617  13.828  24.903  1.00 18.10           O  
-ATOM    478  CB  ALA A  57      41.854  15.510  26.769  1.00 14.90           C  
-ATOM    479  N   SER A  58      41.633  13.333  24.083  1.00 15.00           N  
-ATOM    480  CA  SER A  58      42.056  12.004  23.712  1.00 15.20           C  
-ATOM    481  C   SER A  58      42.995  11.965  22.513  1.00 16.60           C  
-ATOM    482  O   SER A  58      42.666  12.350  21.382  1.00 15.40           O  
-ATOM    483  CB  SER A  58      40.849  11.114  23.394  1.00 14.30           C  
-ATOM    484  OG  SER A  58      41.308   9.874  22.805  1.00 13.40           O  
-ATOM    485  N   GLU A  59      44.212  11.556  22.730  1.00 17.30           N  
-ATOM    486  CA  GLU A  59      45.121  11.500  21.615  1.00 20.50           C  
-ATOM    487  C   GLU A  59      44.763  10.371  20.646  1.00 19.60           C  
-ATOM    488  O   GLU A  59      44.868  10.520  19.431  1.00 19.50           O  
-ATOM    489  CB  GLU A  59      46.511  11.309  22.141  1.00 23.80           C  
-ATOM    490  CG  GLU A  59      47.462  12.052  21.250  1.00 32.20           C  
-ATOM    491  CD  GLU A  59      47.484  13.521  21.648  1.00 36.70           C  
-ATOM    492  OE1 GLU A  59      46.925  13.816  22.733  1.00 39.70           O  
-ATOM    493  OE2 GLU A  59      47.705  14.351  20.744  1.00 38.70           O  
-ATOM    494  N   ASP A  60      44.151   9.296  21.124  1.00 18.60           N  
-ATOM    495  CA  ASP A  60      43.799   8.252  20.230  1.00 18.80           C  
-ATOM    496  C   ASP A  60      42.693   8.751  19.337  1.00 17.40           C  
-ATOM    497  O   ASP A  60      42.682   8.355  18.169  1.00 17.10           O  
-ATOM    498  CB  ASP A  60      43.296   7.012  20.960  1.00 22.60           C  
-ATOM    499  CG  ASP A  60      44.459   6.115  21.448  1.00 27.70           C  
-ATOM    500  OD1 ASP A  60      45.650   6.510  21.290  1.00 29.80           O  
-ATOM    501  OD2 ASP A  60      44.173   5.241  22.281  1.00 30.30           O  
-ATOM    502  N   LEU A  61      41.688   9.470  19.874  1.00 14.40           N  
-ATOM    503  CA  LEU A  61      40.606   9.989  19.022  1.00 14.80           C  
-ATOM    504  C   LEU A  61      41.139  10.936  17.944  1.00 14.10           C  
-ATOM    505  O   LEU A  61      40.661  10.942  16.804  1.00 12.30           O  
-ATOM    506  CB  LEU A  61      39.563  10.760  19.811  1.00 13.40           C  
-ATOM    507  CG  LEU A  61      38.322  11.214  19.074  1.00 14.20           C  
-ATOM    508  CD1 LEU A  61      37.678   9.996  18.432  1.00 14.70           C  
-ATOM    509  CD2 LEU A  61      37.346  11.914  20.013  1.00 13.90           C  
-ATOM    510  N   LYS A  62      42.095  11.800  18.304  1.00 12.70           N  
-ATOM    511  CA  LYS A  62      42.606  12.674  17.269  1.00 13.40           C  
-ATOM    512  C   LYS A  62      43.369  11.873  16.201  1.00 14.10           C  
-ATOM    513  O   LYS A  62      43.201  12.099  15.014  1.00 13.00           O  
-ATOM    514  CB  LYS A  62      43.531  13.701  17.914  1.00 15.80           C  
-ATOM    515  CG  LYS A  62      44.365  14.501  16.944  1.00 17.70           C  
-ATOM    516  CD  LYS A  62      44.609  15.819  17.603  1.00 23.70           C  
-ATOM    517  CE  LYS A  62      45.912  15.774  18.353  1.00 26.50           C  
-ATOM    518  NZ  LYS A  62      46.797  14.814  17.713  1.00 30.40           N  
-ATOM    519  N   LYS A  63      44.079  10.805  16.553  1.00 13.70           N  
-ATOM    520  CA  LYS A  63      44.783  10.081  15.514  1.00 15.90           C  
-ATOM    521  C   LYS A  63      43.782   9.401  14.615  1.00 14.70           C  
-ATOM    522  O   LYS A  63      43.955   9.349  13.402  1.00 15.00           O  
-ATOM    523  CB  LYS A  63      45.640   9.002  16.145  1.00 16.90           C  
-ATOM    524  CG  LYS A  63      46.849   9.604  16.857  1.00 23.50           C  
-ATOM    525  CD  LYS A  63      47.868   8.474  17.099  1.00 28.40           C  
-ATOM    526  CE  LYS A  63      47.574   7.647  18.359  1.00 31.50           C  
-ATOM    527  NZ  LYS A  63      48.824   7.172  18.994  1.00 34.90           N  
-ATOM    528  N   HIS A  64      42.687   8.930  15.197  1.00 12.70           N  
-ATOM    529  CA  HIS A  64      41.684   8.230  14.429  1.00 12.20           C  
-ATOM    530  C   HIS A  64      41.006   9.208  13.473  1.00 11.50           C  
-ATOM    531  O   HIS A  64      40.704   8.837  12.331  1.00 11.40           O  
-ATOM    532  CB  HIS A  64      40.650   7.644  15.393  1.00 13.70           C  
-ATOM    533  CG  HIS A  64      39.349   7.119  14.751  1.00 15.00           C  
-ATOM    534  ND1 HIS A  64      39.515   5.900  14.119  1.00 14.40           N  
-ATOM    535  CD2 HIS A  64      38.049   7.706  14.757  1.00 15.60           C  
-ATOM    536  CE1 HIS A  64      38.404   5.646  13.506  1.00 14.70           C  
-ATOM    537  NE2 HIS A  64      37.561   6.662  13.866  1.00 15.60           N  
-ATOM    538  N   GLY A  65      40.702  10.438  13.934  1.00 10.10           N  
-ATOM    539  CA  GLY A  65      40.076  11.426  13.037  1.00  9.70           C  
-ATOM    540  C   GLY A  65      40.972  11.704  11.814  1.00  9.50           C  
-ATOM    541  O   GLY A  65      40.444  11.868  10.720  1.00  8.80           O  
-ATOM    542  N   VAL A  66      42.313  11.724  11.981  1.00  8.70           N  
-ATOM    543  CA  VAL A  66      43.209  11.969  10.864  1.00  9.90           C  
-ATOM    544  C   VAL A  66      43.138  10.768   9.910  1.00 10.10           C  
-ATOM    545  O   VAL A  66      43.117  10.945   8.672  1.00 11.00           O  
-ATOM    546  CB  VAL A  66      44.656  12.179  11.370  1.00 10.80           C  
-ATOM    547  CG1 VAL A  66      45.606  12.224  10.168  1.00 11.10           C  
-ATOM    548  CG2 VAL A  66      44.818  13.482  12.155  1.00  9.50           C  
-ATOM    549  N   THR A  67      43.104   9.554  10.449  1.00  9.70           N  
-ATOM    550  CA  THR A  67      42.989   8.352   9.597  1.00 12.10           C  
-ATOM    551  C   THR A  67      41.725   8.400   8.727  1.00 11.40           C  
-ATOM    552  O   THR A  67      41.759   8.183   7.498  1.00 11.40           O  
-ATOM    553  CB  THR A  67      42.954   7.072  10.459  1.00 12.70           C  
-ATOM    554  OG1 THR A  67      44.237   6.984  11.070  1.00 14.10           O  
-ATOM    555  CG2 THR A  67      42.777   5.817   9.621  1.00 13.40           C  
-ATOM    556  N   VAL A  68      40.580   8.675   9.373  1.00  9.80           N  
-ATOM    557  CA  VAL A  68      39.322   8.769   8.692  1.00  9.70           C  
-ATOM    558  C   VAL A  68      39.301   9.895   7.659  1.00  9.80           C  
-ATOM    559  O   VAL A  68      38.911   9.636   6.510  1.00  9.00           O  
-ATOM    560  CB  VAL A  68      38.188   8.981   9.717  1.00  9.10           C  
-ATOM    561  CG1 VAL A  68      36.858   9.199   8.987  1.00 10.20           C  
-ATOM    562  CG2 VAL A  68      38.123   7.754  10.654  1.00  9.50           C  
-ATOM    563  N   LEU A  69      39.719  11.135   8.019  1.00  9.70           N  
-ATOM    564  CA  LEU A  69      39.623  12.172   7.006  1.00 10.90           C  
-ATOM    565  C   LEU A  69      40.575  11.901   5.850  1.00 10.20           C  
-ATOM    566  O   LEU A  69      40.363  12.348   4.740  1.00 11.10           O  
-ATOM    567  CB  LEU A  69      39.873  13.582   7.577  1.00 10.00           C  
-ATOM    568  CG  LEU A  69      38.816  14.093   8.546  1.00 12.40           C  
-ATOM    569  CD1 LEU A  69      39.072  15.564   8.912  1.00 11.80           C  
-ATOM    570  CD2 LEU A  69      37.450  13.931   7.963  1.00 14.80           C  
-ATOM    571  N   THR A  70      41.747  11.371   6.127  1.00 10.90           N  
-ATOM    572  CA  THR A  70      42.675  11.060   5.042  1.00 11.50           C  
-ATOM    573  C   THR A  70      41.991  10.057   4.089  1.00 11.10           C  
-ATOM    574  O   THR A  70      42.114  10.194   2.851  1.00 11.00           O  
-ATOM    575  CB  THR A  70      43.978  10.439   5.632  1.00 11.70           C  
-ATOM    576  OG1 THR A  70      44.468  11.452   6.503  1.00 14.00           O  
-ATOM    577  CG2 THR A  70      45.036  10.114   4.573  1.00 13.30           C  
-ATOM    578  N   ALA A  71      41.357   8.987   4.621  1.00  9.10           N  
-ATOM    579  CA  ALA A  71      40.684   8.032   3.712  1.00 10.30           C  
-ATOM    580  C   ALA A  71      39.530   8.645   2.919  1.00  9.70           C  
-ATOM    581  O   ALA A  71      39.418   8.442   1.705  1.00  9.10           O  
-ATOM    582  CB  ALA A  71      40.089   6.848   4.494  1.00 10.30           C  
-ATOM    583  N   LEU A  72      38.806   9.604   3.505  1.00  8.90           N  
-ATOM    584  CA  LEU A  72      37.692  10.273   2.838  1.00  9.90           C  
-ATOM    585  C   LEU A  72      38.219  11.223   1.769  1.00 10.20           C  
-ATOM    586  O   LEU A  72      37.706  11.313   0.641  1.00  9.90           O  
-ATOM    587  CB  LEU A  72      36.827  11.029   3.853  1.00  9.60           C  
-ATOM    588  CG  LEU A  72      35.663  11.838   3.262  1.00 12.90           C  
-ATOM    589  CD1 LEU A  72      34.792  10.912   2.407  1.00 13.10           C  
-ATOM    590  CD2 LEU A  72      34.865  12.610   4.322  1.00 12.70           C  
-ATOM    591  N   GLY A  73      39.307  11.927   2.080  1.00 10.80           N  
-ATOM    592  CA  GLY A  73      39.866  12.845   1.118  1.00 10.60           C  
-ATOM    593  C   GLY A  73      40.332  12.048  -0.112  1.00 10.60           C  
-ATOM    594  O   GLY A  73      40.354  12.583  -1.213  1.00  9.80           O  
-ATOM    595  N   ALA A  74      40.946  10.883   0.095  1.00 10.80           N  
-ATOM    596  CA  ALA A  74      41.455  10.120  -1.042  1.00 11.90           C  
-ATOM    597  C   ALA A  74      40.330   9.689  -1.975  1.00 12.10           C  
-ATOM    598  O   ALA A  74      40.466   9.749  -3.219  1.00 12.10           O  
-ATOM    599  CB  ALA A  74      42.168   8.878  -0.528  1.00 11.20           C  
-ATOM    600  N   ILE A  75      39.146   9.491  -1.392  1.00 10.60           N  
-ATOM    601  CA  ILE A  75      37.975   9.100  -2.159  1.00 10.80           C  
-ATOM    602  C   ILE A  75      37.383  10.286  -2.917  1.00 10.90           C  
-ATOM    603  O   ILE A  75      37.187  10.235  -4.145  1.00 10.80           O  
-ATOM    604  CB  ILE A  75      36.938   8.495  -1.198  1.00 10.20           C  
-ATOM    605  CG1 ILE A  75      37.378   7.078  -0.843  1.00 11.20           C  
-ATOM    606  CG2 ILE A  75      35.542   8.540  -1.835  1.00 11.50           C  
-ATOM    607  CD1 ILE A  75      36.834   6.499   0.491  1.00 12.60           C  
-ATOM    608  N   LEU A  76      37.340  11.438  -2.274  1.00 10.20           N  
-ATOM    609  CA  LEU A  76      36.852  12.619  -2.960  1.00 11.10           C  
-ATOM    610  C   LEU A  76      37.777  13.085  -4.100  1.00 10.50           C  
-ATOM    611  O   LEU A  76      37.291  13.481  -5.178  1.00 10.80           O  
-ATOM    612  CB  LEU A  76      36.714  13.815  -1.999  1.00 10.70           C  
-ATOM    613  CG  LEU A  76      35.714  13.632  -0.864  1.00 12.50           C  
-ATOM    614  CD1 LEU A  76      35.828  14.827   0.132  1.00 12.10           C  
-ATOM    615  CD2 LEU A  76      34.286  13.388  -1.386  1.00 12.60           C  
-ATOM    616  N   LYS A  77      39.078  12.890  -3.955  1.00  9.90           N  
-ATOM    617  CA  LYS A  77      39.984  13.337  -4.969  1.00 10.20           C  
-ATOM    618  C   LYS A  77      39.891  12.476  -6.233  1.00 11.80           C  
-ATOM    619  O   LYS A  77      40.425  12.865  -7.281  1.00 11.90           O  
-ATOM    620  CB  LYS A  77      41.376  13.357  -4.389  1.00 10.80           C  
-ATOM    621  CG  LYS A  77      41.632  14.627  -3.543  1.00 11.40           C  
-ATOM    622  CD  LYS A  77      42.912  14.425  -2.767  1.00 13.60           C  
-ATOM    623  CE  LYS A  77      43.167  15.577  -1.810  1.00 15.00           C  
-ATOM    624  NZ  LYS A  77      44.479  15.400  -1.216  1.00 16.30           N  
-ATOM    625  N   LYS A  78      39.253  11.280  -6.127  1.00 11.90           N  
-ATOM    626  CA  LYS A  78      39.036  10.388  -7.284  1.00 13.80           C  
-ATOM    627  C   LYS A  78      37.941  10.932  -8.220  1.00 13.30           C  
-ATOM    628  O   LYS A  78      37.727  10.328  -9.282  1.00 12.90           O  
-ATOM    629  CB  LYS A  78      38.592   8.988  -6.854  1.00 14.70           C  
-ATOM    630  CG  LYS A  78      39.656   8.172  -6.140  1.00 17.80           C  
-ATOM    631  CD  LYS A  78      41.047   8.372  -6.740  1.00 21.60           C  
-ATOM    632  CE  LYS A  78      41.218   7.594  -8.036  1.00 22.90           C  
-ATOM    633  NZ  LYS A  78      41.007   6.167  -7.774  1.00 27.30           N  
-ATOM    634  N   LYS A  79      37.054  11.792  -7.674  1.00 12.20           N  
-ATOM    635  CA  LYS A  79      35.967  12.378  -8.453  1.00 12.90           C  
-ATOM    636  C   LYS A  79      35.031  11.340  -9.041  1.00 13.30           C  
-ATOM    637  O   LYS A  79      34.655  11.372 -10.236  1.00 12.70           O  
-ATOM    638  CB  LYS A  79      36.537  13.334  -9.509  1.00 12.50           C  
-ATOM    639  CG  LYS A  79      37.323  14.447  -8.811  1.00 13.90           C  
-ATOM    640  CD  LYS A  79      38.259  15.115  -9.792  1.00 18.20           C  
-ATOM    641  CE  LYS A  79      37.516  16.154 -10.571  1.00 20.10           C  
-ATOM    642  NZ  LYS A  79      38.412  16.692 -11.588  1.00 22.90           N  
-ATOM    643  N   GLY A  80      34.626  10.405  -8.164  1.00 12.10           N  
-ATOM    644  CA  GLY A  80      33.690   9.372  -8.556  1.00 12.50           C  
-ATOM    645  C   GLY A  80      34.347   8.085  -9.057  1.00 12.30           C  
-ATOM    646  O   GLY A  80      33.706   7.044  -9.046  1.00 14.80           O  
-ATOM    647  N   HIS A  81      35.636   8.049  -9.344  1.00 11.70           N  
-ATOM    648  CA  HIS A  81      36.260   6.801  -9.820  1.00 12.10           C  
-ATOM    649  C   HIS A  81      36.836   6.174  -8.575  1.00 12.50           C  
-ATOM    650  O   HIS A  81      38.050   5.979  -8.505  1.00 12.90           O  
-ATOM    651  CB  HIS A  81      37.444   7.166 -10.710  1.00 12.40           C  
-ATOM    652  CG  HIS A  81      36.757   7.742 -11.950  1.00 13.90           C  
-ATOM    653  ND1 HIS A  81      36.559   9.106 -12.251  1.00 16.80           N  
-ATOM    654  CD2 HIS A  81      36.319   7.112 -13.053  1.00 14.80           C  
-ATOM    655  CE1 HIS A  81      36.137   9.258 -13.525  1.00 16.40           C  
-ATOM    656  NE2 HIS A  81      36.005   8.074 -14.065  1.00 17.40           N  
-ATOM    657  N   HIS A  82      36.012   5.730  -7.634  1.00 12.50           N  
-ATOM    658  CA  HIS A  82      36.613   5.351  -6.346  1.00 13.30           C  
-ATOM    659  C   HIS A  82      36.395   3.894  -5.968  1.00 15.70           C  
-ATOM    660  O   HIS A  82      36.348   3.551  -4.781  1.00 15.50           O  
-ATOM    661  CB  HIS A  82      36.070   6.325  -5.294  1.00 11.80           C  
-ATOM    662  CG  HIS A  82      34.575   6.407  -5.213  1.00 11.90           C  
-ATOM    663  ND1 HIS A  82      33.859   7.542  -5.156  1.00 12.80           N  
-ATOM    664  CD2 HIS A  82      33.650   5.367  -5.392  1.00 12.40           C  
-ATOM    665  CE1 HIS A  82      32.580   7.193  -5.318  1.00 13.70           C  
-ATOM    666  NE2 HIS A  82      32.350   5.907  -5.510  1.00 13.90           N  
-ATOM    667  N   GLU A  83      35.901   3.118  -6.931  1.00 17.00           N  
-ATOM    668  CA  GLU A  83      35.681   1.729  -6.741  1.00 18.70           C  
-ATOM    669  C   GLU A  83      36.777   1.028  -5.925  1.00 18.30           C  
-ATOM    670  O   GLU A  83      36.535   0.330  -4.929  1.00 18.20           O  
-ATOM    671  CB  GLU A  83      35.683   1.089  -8.123  1.00 22.60           C  
-ATOM    672  CG  GLU A  83      35.173   2.017  -9.221  1.00 30.10           C  
-ATOM    673  CD  GLU A  83      36.105   3.073  -9.850  1.00 33.10           C  
-ATOM    674  OE1 GLU A  83      37.311   2.853 -10.108  1.00 35.90           O  
-ATOM    675  OE2 GLU A  83      35.516   3.964 -10.435  1.00 37.10           O  
-ATOM    676  N   ALA A  84      38.043   1.221  -6.236  1.00 17.80           N  
-ATOM    677  CA  ALA A  84      39.020   0.479  -5.472  1.00 17.30           C  
-ATOM    678  C   ALA A  84      39.129   0.928  -4.052  1.00 17.50           C  
-ATOM    679  O   ALA A  84      39.355   0.106  -3.167  1.00 18.50           O  
-ATOM    680  CB  ALA A  84      40.399   0.616  -6.048  1.00 16.80           C  
-ATOM    681  N   GLU A  85      39.071   2.225  -3.818  1.00 16.90           N  
-ATOM    682  CA  GLU A  85      39.178   2.704  -2.467  1.00 16.80           C  
-ATOM    683  C   GLU A  85      38.010   2.210  -1.645  1.00 16.60           C  
-ATOM    684  O   GLU A  85      38.128   2.038  -0.431  1.00 16.50           O  
-ATOM    685  CB  GLU A  85      39.141   4.222  -2.422  1.00 17.30           C  
-ATOM    686  CG  GLU A  85      40.397   4.875  -2.995  1.00 19.90           C  
-ATOM    687  CD  GLU A  85      40.635   4.706  -4.499  1.00 21.00           C  
-ATOM    688  OE1 GLU A  85      39.702   4.533  -5.305  1.00 19.90           O  
-ATOM    689  OE2 GLU A  85      41.669   5.230  -4.898  1.00 25.00           O  
-ATOM    690  N   LEU A  86      36.833   2.117  -2.236  1.00 15.50           N  
-ATOM    691  CA  LEU A  86      35.704   1.764  -1.459  1.00 16.20           C  
-ATOM    692  C   LEU A  86      35.660   0.303  -0.980  1.00 16.50           C  
-ATOM    693  O   LEU A  86      34.994  -0.013  -0.020  1.00 15.50           O  
-ATOM    694  CB  LEU A  86      34.499   2.061  -2.308  1.00 18.90           C  
-ATOM    695  CG  LEU A  86      33.429   2.969  -1.725  1.00 22.90           C  
-ATOM    696  CD1 LEU A  86      33.997   4.324  -1.315  1.00 23.40           C  
-ATOM    697  CD2 LEU A  86      32.337   3.167  -2.751  1.00 23.00           C  
-ATOM    698  N   LYS A  87      36.255  -0.626  -1.714  1.00 16.10           N  
-ATOM    699  CA  LYS A  87      36.216  -2.019  -1.368  1.00 17.40           C  
-ATOM    700  C   LYS A  87      36.651  -2.369   0.065  1.00 16.50           C  
-ATOM    701  O   LYS A  87      35.931  -3.037   0.821  1.00 16.80           O  
-ATOM    702  CB  LYS A  87      37.059  -2.793  -2.399  1.00 18.40           C  
-ATOM    703  CG  LYS A  87      36.273  -3.259  -3.616  1.00 22.10           C  
-ATOM    704  CD  LYS A  87      37.308  -3.949  -4.524  1.00 26.40           C  
-ATOM    705  CE  LYS A  87      36.735  -4.602  -5.783  1.00 29.70           C  
-ATOM    706  NZ  LYS A  87      35.478  -3.929  -6.110  1.00 34.20           N  
-ATOM    707  N   PRO A  88      37.859  -2.056   0.500  1.00 16.10           N  
-ATOM    708  CA  PRO A  88      38.280  -2.497   1.825  1.00 15.00           C  
-ATOM    709  C   PRO A  88      37.504  -1.775   2.911  1.00 14.40           C  
-ATOM    710  O   PRO A  88      37.195  -2.353   3.977  1.00 13.30           O  
-ATOM    711  CB  PRO A  88      39.741  -2.138   1.854  1.00 16.60           C  
-ATOM    712  CG  PRO A  88      39.969  -1.075   0.767  1.00 16.50           C  
-ATOM    713  CD  PRO A  88      38.869  -1.285  -0.253  1.00 16.50           C  
-ATOM    714  N   LEU A  89      37.028  -0.568   2.572  1.00 13.30           N  
-ATOM    715  CA  LEU A  89      36.303   0.283   3.525  1.00 14.40           C  
-ATOM    716  C   LEU A  89      34.926  -0.275   3.790  1.00 13.60           C  
-ATOM    717  O   LEU A  89      34.520  -0.412   4.954  1.00 12.20           O  
-ATOM    718  CB  LEU A  89      36.233   1.621   2.855  1.00 17.60           C  
-ATOM    719  CG  LEU A  89      36.036   2.846   3.678  1.00 21.80           C  
-ATOM    720  CD1 LEU A  89      34.680   3.477   3.371  1.00 22.60           C  
-ATOM    721  CD2 LEU A  89      36.181   2.486   5.153  1.00 23.70           C  
-ATOM    722  N   ALA A  90      34.233  -0.699   2.693  1.00 11.80           N  
-ATOM    723  CA  ALA A  90      32.920  -1.312   2.791  1.00 11.60           C  
-ATOM    724  C   ALA A  90      33.083  -2.654   3.503  1.00 11.30           C  
-ATOM    725  O   ALA A  90      32.293  -2.983   4.378  1.00 11.00           O  
-ATOM    726  CB  ALA A  90      32.360  -1.684   1.383  1.00 11.60           C  
-ATOM    727  N   GLN A  91      34.162  -3.438   3.222  1.00 10.90           N  
-ATOM    728  CA  GLN A  91      34.267  -4.736   3.928  1.00 10.50           C  
-ATOM    729  C   GLN A  91      34.467  -4.581   5.428  1.00 11.40           C  
-ATOM    730  O   GLN A  91      33.810  -5.242   6.229  1.00  9.60           O  
-ATOM    731  CB  GLN A  91      35.386  -5.625   3.388  1.00 11.30           C  
-ATOM    732  CG  GLN A  91      35.488  -6.953   4.122  1.00 12.00           C  
-ATOM    733  CD  GLN A  91      36.518  -7.858   3.455  1.00 13.90           C  
-ATOM    734  OE1 GLN A  91      37.638  -7.438   3.176  1.00 15.40           O  
-ATOM    735  NE2 GLN A  91      36.163  -9.108   3.167  1.00 13.40           N  
-ATOM    736  N   SER A  92      35.373  -3.689   5.873  1.00 12.00           N  
-ATOM    737  CA  SER A  92      35.548  -3.559   7.322  1.00 12.20           C  
-ATOM    738  C   SER A  92      34.342  -2.925   8.005  1.00 12.40           C  
-ATOM    739  O   SER A  92      33.913  -3.427   9.062  1.00 11.80           O  
-ATOM    740  CB  SER A  92      36.777  -2.718   7.688  1.00 13.70           C  
-ATOM    741  OG  SER A  92      36.673  -1.401   7.210  1.00 12.90           O  
-ATOM    742  N   HIS A  93      33.643  -1.965   7.359  1.00 11.20           N  
-ATOM    743  CA  HIS A  93      32.526  -1.345   8.064  1.00 12.00           C  
-ATOM    744  C   HIS A  93      31.310  -2.255   8.059  1.00 13.00           C  
-ATOM    745  O   HIS A  93      30.423  -2.091   8.912  1.00 14.00           O  
-ATOM    746  CB  HIS A  93      32.172   0.046   7.525  1.00 11.30           C  
-ATOM    747  CG  HIS A  93      33.239   1.002   7.862  1.00 10.50           C  
-ATOM    748  ND1 HIS A  93      34.575   0.824   7.691  1.00 11.40           N  
-ATOM    749  CD2 HIS A  93      33.175   2.071   8.698  1.00 11.00           C  
-ATOM    750  CE1 HIS A  93      35.326   1.848   8.223  1.00 12.30           C  
-ATOM    751  NE2 HIS A  93      34.485   2.512   8.934  1.00 11.20           N  
-ATOM    752  N   ALA A  94      31.145  -3.074   7.017  1.00 13.20           N  
-ATOM    753  CA  ALA A  94      30.023  -4.001   7.019  1.00 13.60           C  
-ATOM    754  C   ALA A  94      30.283  -5.291   7.843  1.00 15.20           C  
-ATOM    755  O   ALA A  94      29.487  -5.616   8.733  1.00 15.90           O  
-ATOM    756  CB  ALA A  94      29.740  -4.530   5.617  1.00 13.00           C  
-ATOM    757  N   THR A  95      31.510  -5.832   7.815  1.00 15.20           N  
-ATOM    758  CA  THR A  95      31.664  -7.092   8.464  1.00 16.30           C  
-ATOM    759  C   THR A  95      32.435  -7.084   9.744  1.00 17.10           C  
-ATOM    760  O   THR A  95      32.047  -7.808  10.673  1.00 17.00           O  
-ATOM    761  CB  THR A  95      32.000  -8.228   7.410  1.00 18.10           C  
-ATOM    762  OG1 THR A  95      32.959  -9.217   7.898  1.00 20.20           O  
-ATOM    763  CG2 THR A  95      32.258  -7.644   6.078  1.00 15.10           C  
-ATOM    764  N   LYS A  96      33.228  -6.065   9.988  1.00 16.70           N  
-ATOM    765  CA  LYS A  96      33.867  -6.009  11.295  1.00 19.40           C  
-ATOM    766  C   LYS A  96      33.219  -5.009  12.306  1.00 18.50           C  
-ATOM    767  O   LYS A  96      32.633  -5.372  13.345  1.00 19.20           O  
-ATOM    768  CB  LYS A  96      35.334  -5.704  11.107  1.00 20.50           C  
-ATOM    769  CG  LYS A  96      36.096  -5.779  12.397  1.00 24.20           C  
-ATOM    770  CD  LYS A  96      37.437  -5.274  11.957  1.00 29.20           C  
-ATOM    771  CE  LYS A  96      38.426  -5.294  13.108  1.00 33.90           C  
-ATOM    772  NZ  LYS A  96      37.772  -4.979  14.386  1.00 37.50           N  
-ATOM    773  N   HIS A  97      33.031  -3.766  11.874  1.00 17.80           N  
-ATOM    774  CA  HIS A  97      32.488  -2.728  12.746  1.00 16.90           C  
-ATOM    775  C   HIS A  97      30.969  -2.750  12.789  1.00 18.70           C  
-ATOM    776  O   HIS A  97      30.415  -2.234  13.768  1.00 19.10           O  
-ATOM    777  CB  HIS A  97      32.916  -1.367  12.203  1.00 15.30           C  
-ATOM    778  CG  HIS A  97      34.412  -1.315  12.007  1.00 13.80           C  
-ATOM    779  ND1 HIS A  97      35.425  -1.858  12.858  1.00 14.20           N  
-ATOM    780  CD2 HIS A  97      35.060  -0.735  10.858  1.00 14.50           C  
-ATOM    781  CE1 HIS A  97      36.738  -1.736  12.371  1.00 13.30           C  
-ATOM    782  NE2 HIS A  97      36.515  -1.057  11.187  1.00 14.50           N  
-ATOM    783  N   LYS A  98      30.291  -3.193  11.680  1.00 19.00           N  
-ATOM    784  CA  LYS A  98      28.839  -3.225  11.563  1.00 19.20           C  
-ATOM    785  C   LYS A  98      28.228  -1.858  11.679  1.00 19.20           C  
-ATOM    786  O   LYS A  98      27.427  -1.569  12.556  1.00 19.10           O  
-ATOM    787  CB  LYS A  98      28.262  -4.084  12.636  1.00 22.50           C  
-ATOM    788  CG  LYS A  98      28.302  -5.554  12.255  1.00 27.70           C  
-ATOM    789  CD  LYS A  98      29.595  -6.110  12.804  1.00 31.40           C  
-ATOM    790  CE  LYS A  98      29.485  -7.620  13.002  1.00 33.50           C  
-ATOM    791  NZ  LYS A  98      30.835  -8.117  13.268  1.00 36.30           N  
-ATOM    792  N   ILE A  99      28.493  -1.015  10.705  1.00 18.00           N  
-ATOM    793  CA  ILE A  99      27.986   0.306  10.723  1.00 17.20           C  
-ATOM    794  C   ILE A  99      26.857   0.344   9.752  1.00 17.70           C  
-ATOM    795  O   ILE A  99      27.076   0.287   8.529  1.00 17.90           O  
-ATOM    796  CB  ILE A  99      29.096   1.286  10.271  1.00 16.60           C  
-ATOM    797  CG1 ILE A  99      30.417   0.988  10.988  1.00 15.40           C  
-ATOM    798  CG2 ILE A  99      28.593   2.752  10.349  1.00 14.90           C  
-ATOM    799  CD1 ILE A  99      30.311   1.009  12.520  1.00 15.80           C  
-ATOM    800  N   PRO A 100      25.704   0.830  10.224  1.00 18.30           N  
-ATOM    801  CA  PRO A 100      24.547   0.950   9.343  1.00 19.00           C  
-ATOM    802  C   PRO A 100      24.659   2.212   8.483  1.00 19.00           C  
-ATOM    803  O   PRO A 100      25.155   3.257   8.923  1.00 18.10           O  
-ATOM    804  CB  PRO A 100      23.341   1.001  10.276  1.00 19.30           C  
-ATOM    805  CG  PRO A 100      23.868   1.096  11.699  1.00 18.90           C  
-ATOM    806  CD  PRO A 100      25.357   0.806  11.655  1.00 19.20           C  
-ATOM    807  N   ILE A 101      23.963   2.201   7.355  1.00 19.60           N  
-ATOM    808  CA  ILE A 101      23.966   3.342   6.480  1.00 20.20           C  
-ATOM    809  C   ILE A 101      23.488   4.565   7.205  1.00 20.30           C  
-ATOM    810  O   ILE A 101      23.923   5.675   6.935  1.00 20.90           O  
-ATOM    811  CB  ILE A 101      23.058   3.048   5.254  1.00 21.70           C  
-ATOM    812  CG1 ILE A 101      23.690   1.938   4.407  1.00 21.10           C  
-ATOM    813  CG2 ILE A 101      22.851   4.309   4.407  1.00 21.00           C  
-ATOM    814  CD1 ILE A 101      25.024   2.367   3.770  1.00 21.50           C  
-ATOM    815  N   LYS A 102      22.490   4.420   8.061  1.00 19.20           N  
-ATOM    816  CA  LYS A 102      21.992   5.572   8.792  1.00 19.40           C  
-ATOM    817  C   LYS A 102      23.131   6.261   9.573  1.00 16.70           C  
-ATOM    818  O   LYS A 102      23.060   7.475   9.753  1.00 14.30           O  
-ATOM    819  CB  LYS A 102      20.863   5.043   9.683  1.00 23.20           C  
-ATOM    820  CG  LYS A 102      20.571   5.800  10.950  1.00 29.60           C  
-ATOM    821  CD  LYS A 102      19.734   7.028  10.603  1.00 34.40           C  
-ATOM    822  CE  LYS A 102      18.387   6.986  11.351  1.00 37.10           C  
-ATOM    823  NZ  LYS A 102      17.556   8.140  10.978  1.00 38.60           N  
-ATOM    824  N   TYR A 103      24.113   5.521  10.143  1.00 13.10           N  
-ATOM    825  CA  TYR A 103      25.204   6.219  10.849  1.00 13.30           C  
-ATOM    826  C   TYR A 103      26.096   7.003   9.871  1.00 12.60           C  
-ATOM    827  O   TYR A 103      26.770   7.981  10.225  1.00 12.50           O  
-ATOM    828  CB  TYR A 103      26.107   5.262  11.655  1.00 13.20           C  
-ATOM    829  CG  TYR A 103      25.434   4.683  12.917  1.00 15.90           C  
-ATOM    830  CD1 TYR A 103      24.081   4.892  13.146  1.00 16.90           C  
-ATOM    831  CD2 TYR A 103      26.166   3.938  13.824  1.00 16.50           C  
-ATOM    832  CE1 TYR A 103      23.463   4.366  14.285  1.00 17.90           C  
-ATOM    833  CE2 TYR A 103      25.565   3.406  14.958  1.00 17.90           C  
-ATOM    834  CZ  TYR A 103      24.212   3.629  15.182  1.00 18.70           C  
-ATOM    835  OH  TYR A 103      23.594   3.088  16.314  1.00 19.70           O  
-ATOM    836  N   LEU A 104      26.226   6.508   8.587  1.00 13.10           N  
-ATOM    837  CA  LEU A 104      27.017   7.225   7.596  1.00 11.00           C  
-ATOM    838  C   LEU A 104      26.284   8.491   7.263  1.00 11.70           C  
-ATOM    839  O   LEU A 104      26.909   9.514   6.964  1.00 11.50           O  
-ATOM    840  CB  LEU A 104      27.234   6.375   6.344  1.00 13.00           C  
-ATOM    841  CG  LEU A 104      27.976   5.033   6.577  1.00 13.40           C  
-ATOM    842  CD1 LEU A 104      28.105   4.278   5.257  1.00 15.60           C  
-ATOM    843  CD2 LEU A 104      29.352   5.272   7.141  1.00 14.00           C  
-ATOM    844  N   GLU A 105      24.943   8.520   7.363  1.00 11.50           N  
-ATOM    845  CA  GLU A 105      24.265   9.795   7.124  1.00 12.60           C  
-ATOM    846  C   GLU A 105      24.611  10.715   8.294  1.00 12.40           C  
-ATOM    847  O   GLU A 105      24.722  11.912   8.115  1.00 11.70           O  
-ATOM    848  CB  GLU A 105      22.760   9.638   7.101  1.00 14.70           C  
-ATOM    849  CG  GLU A 105      22.374   9.003   5.773  1.00 20.50           C  
-ATOM    850  CD  GLU A 105      20.947   8.450   5.645  1.00 23.80           C  
-ATOM    851  OE1 GLU A 105      20.252   8.515   6.653  1.00 26.10           O  
-ATOM    852  OE2 GLU A 105      20.775   7.502   4.841  1.00 25.50           O  
-ATOM    853  N   PHE A 106      24.640  10.180   9.559  1.00 11.70           N  
-ATOM    854  CA  PHE A 106      24.955  11.012  10.701  1.00 11.30           C  
-ATOM    855  C   PHE A 106      26.343  11.648  10.593  1.00 11.40           C  
-ATOM    856  O   PHE A 106      26.498  12.855  10.901  1.00 11.80           O  
-ATOM    857  CB  PHE A 106      24.928  10.219  12.007  1.00 11.40           C  
-ATOM    858  CG  PHE A 106      23.561   9.686  12.403  1.00 13.00           C  
-ATOM    859  CD1 PHE A 106      22.395  10.243  11.913  1.00 14.80           C  
-ATOM    860  CD2 PHE A 106      23.493   8.623  13.285  1.00 13.20           C  
-ATOM    861  CE1 PHE A 106      21.149   9.744  12.317  1.00 15.40           C  
-ATOM    862  CE2 PHE A 106      22.259   8.138  13.682  1.00 14.80           C  
-ATOM    863  CZ  PHE A 106      21.104   8.701  13.206  1.00 14.70           C  
-ATOM    864  N   ILE A 107      27.380  10.930  10.113  1.00 10.10           N  
-ATOM    865  CA  ILE A 107      28.671  11.599  10.059  1.00 10.30           C  
-ATOM    866  C   ILE A 107      28.701  12.604   8.890  1.00 10.50           C  
-ATOM    867  O   ILE A 107      29.395  13.614   8.912  1.00  9.70           O  
-ATOM    868  CB  ILE A 107      29.840  10.554  10.017  1.00 10.70           C  
-ATOM    869  CG1 ILE A 107      31.184  11.199  10.364  1.00 11.60           C  
-ATOM    870  CG2 ILE A 107      29.942   9.875   8.646  1.00  9.40           C  
-ATOM    871  CD1 ILE A 107      32.359  10.202  10.516  1.00 12.30           C  
-ATOM    872  N   SER A 108      27.897  12.360   7.850  1.00  9.80           N  
-ATOM    873  CA  SER A 108      27.857  13.246   6.715  1.00 10.70           C  
-ATOM    874  C   SER A 108      27.370  14.601   7.217  1.00 11.20           C  
-ATOM    875  O   SER A 108      27.824  15.615   6.736  1.00 11.70           O  
-ATOM    876  CB  SER A 108      26.858  12.684   5.690  1.00 10.50           C  
-ATOM    877  OG  SER A 108      27.433  11.572   4.968  1.00 11.90           O  
-ATOM    878  N   GLU A 109      26.303  14.587   8.068  1.00 11.10           N  
-ATOM    879  CA  GLU A 109      25.705  15.764   8.650  1.00 11.60           C  
-ATOM    880  C   GLU A 109      26.765  16.442   9.477  1.00  9.90           C  
-ATOM    881  O   GLU A 109      26.883  17.652   9.487  1.00 10.00           O  
-ATOM    882  CB  GLU A 109      24.571  15.260   9.536  1.00 15.60           C  
-ATOM    883  CG  GLU A 109      23.672  16.335  10.126  1.00 24.90           C  
-ATOM    884  CD  GLU A 109      22.600  15.783  11.132  1.00 30.10           C  
-ATOM    885  OE1 GLU A 109      22.034  14.687  10.859  1.00 34.20           O  
-ATOM    886  OE2 GLU A 109      22.712  16.126  12.329  1.00 34.20           O  
-ATOM    887  N   ALA A 110      27.523  15.695  10.271  1.00  8.60           N  
-ATOM    888  CA  ALA A 110      28.560  16.323  11.090  1.00  9.00           C  
-ATOM    889  C   ALA A 110      29.660  16.982  10.236  1.00  8.80           C  
-ATOM    890  O   ALA A 110      30.179  18.082  10.572  1.00  8.40           O  
-ATOM    891  CB  ALA A 110      29.280  15.262  11.971  1.00  7.40           C  
-ATOM    892  N   ILE A 111      29.961  16.378   9.060  1.00  8.60           N  
-ATOM    893  CA  ILE A 111      30.999  16.962   8.209  1.00  9.00           C  
-ATOM    894  C   ILE A 111      30.500  18.279   7.626  1.00  9.20           C  
-ATOM    895  O   ILE A 111      31.124  19.337   7.683  1.00  9.90           O  
-ATOM    896  CB  ILE A 111      31.360  15.953   7.090  1.00  8.90           C  
-ATOM    897  CG1 ILE A 111      32.201  14.797   7.610  1.00 10.40           C  
-ATOM    898  CG2 ILE A 111      32.132  16.692   5.982  1.00 10.80           C  
-ATOM    899  CD1 ILE A 111      32.045  13.479   6.839  1.00 10.50           C  
-ATOM    900  N   ILE A 112      29.241  18.296   7.225  1.00  9.80           N  
-ATOM    901  CA  ILE A 112      28.658  19.471   6.649  1.00 10.00           C  
-ATOM    902  C   ILE A 112      28.486  20.564   7.724  1.00 11.00           C  
-ATOM    903  O   ILE A 112      28.857  21.734   7.503  1.00 10.90           O  
-ATOM    904  CB  ILE A 112      27.323  19.047   6.013  1.00 10.30           C  
-ATOM    905  CG1 ILE A 112      27.532  18.392   4.630  1.00 10.10           C  
-ATOM    906  CG2 ILE A 112      26.413  20.274   5.847  1.00 11.70           C  
-ATOM    907  CD1 ILE A 112      26.202  17.789   4.161  1.00 13.40           C  
-ATOM    908  N   HIS A 113      28.147  20.186   8.955  1.00 10.40           N  
-ATOM    909  CA  HIS A 113      28.021  21.202   9.987  1.00 11.10           C  
-ATOM    910  C   HIS A 113      29.354  21.897  10.251  1.00 10.90           C  
-ATOM    911  O   HIS A 113      29.470  23.124  10.398  1.00 11.20           O  
-ATOM    912  CB  HIS A 113      27.508  20.560  11.286  1.00 14.30           C  
-ATOM    913  CG  HIS A 113      27.511  21.409  12.596  1.00 18.00           C  
-ATOM    914  ND1 HIS A 113      26.334  22.055  13.002  1.00 20.00           N  
-ATOM    915  CD2 HIS A 113      28.635  21.715  13.418  1.00 19.80           C  
-ATOM    916  CE1 HIS A 113      26.742  22.831  13.977  1.00 19.10           C  
-ATOM    917  NE2 HIS A 113      28.008  22.628  14.287  1.00 21.40           N  
-ATOM    918  N   VAL A 114      30.404  21.088  10.412  1.00  9.90           N  
-ATOM    919  CA  VAL A 114      31.742  21.620  10.703  1.00 10.60           C  
-ATOM    920  C   VAL A 114      32.296  22.471   9.538  1.00 10.90           C  
-ATOM    921  O   VAL A 114      32.811  23.581   9.807  1.00 11.70           O  
-ATOM    922  CB  VAL A 114      32.714  20.452  11.055  1.00  9.90           C  
-ATOM    923  CG1 VAL A 114      34.158  20.952  11.081  1.00 10.60           C  
-ATOM    924  CG2 VAL A 114      32.306  19.831  12.408  1.00  9.10           C  
-ATOM    925  N   LEU A 115      32.107  22.034   8.237  1.00 10.00           N  
-ATOM    926  CA  LEU A 115      32.598  22.897   7.146  1.00  9.40           C  
-ATOM    927  C   LEU A 115      31.849  24.191   7.148  1.00  9.30           C  
-ATOM    928  O   LEU A 115      32.387  25.239   6.846  1.00  8.80           O  
-ATOM    929  CB  LEU A 115      32.400  22.283   5.770  1.00 10.60           C  
-ATOM    930  CG  LEU A 115      33.117  20.944   5.670  1.00 12.40           C  
-ATOM    931  CD1 LEU A 115      33.047  20.389   4.256  1.00 15.00           C  
-ATOM    932  CD2 LEU A 115      34.549  21.077   6.091  1.00 13.60           C  
-ATOM    933  N   HIS A 116      30.543  24.132   7.406  1.00  9.70           N  
-ATOM    934  CA  HIS A 116      29.797  25.349   7.397  1.00 10.90           C  
-ATOM    935  C   HIS A 116      30.276  26.312   8.474  1.00 12.00           C  
-ATOM    936  O   HIS A 116      30.305  27.524   8.241  1.00 10.80           O  
-ATOM    937  CB  HIS A 116      28.322  25.037   7.551  1.00 12.00           C  
-ATOM    938  CG  HIS A 116      27.152  26.130   7.624  1.00 14.60           C  
-ATOM    939  ND1 HIS A 116      26.710  26.976   6.582  1.00 16.60           N  
-ATOM    940  CD2 HIS A 116      26.692  26.626   8.943  1.00 14.60           C  
-ATOM    941  CE1 HIS A 116      25.947  27.923   7.279  1.00 15.40           C  
-ATOM    942  NE2 HIS A 116      25.976  27.742   8.568  1.00 17.00           N  
-ATOM    943  N   SER A 117      30.587  25.787   9.682  1.00 12.50           N  
-ATOM    944  CA  SER A 117      31.037  26.644  10.774  1.00 13.30           C  
-ATOM    945  C   SER A 117      32.436  27.211  10.557  1.00 12.50           C  
-ATOM    946  O   SER A 117      32.705  28.389  10.855  1.00 12.80           O  
-ATOM    947  CB  SER A 117      31.212  25.849  12.066  1.00 15.30           C  
-ATOM    948  OG  SER A 117      29.967  25.341  12.397  1.00 22.80           O  
-ATOM    949  N   ARG A 118      33.325  26.382   9.997  1.00 10.30           N  
-ATOM    950  CA  ARG A 118      34.697  26.839   9.881  1.00 10.80           C  
-ATOM    951  C   ARG A 118      35.003  27.589   8.572  1.00 10.80           C  
-ATOM    952  O   ARG A 118      35.995  28.307   8.529  1.00 10.30           O  
-ATOM    953  CB  ARG A 118      35.590  25.596   9.917  1.00 12.20           C  
-ATOM    954  CG  ARG A 118      35.874  25.005  11.300  1.00 15.60           C  
-ATOM    955  CD  ARG A 118      37.398  24.899  11.249  1.00 18.80           C  
-ATOM    956  NE  ARG A 118      37.767  23.752  11.887  1.00 20.00           N  
-ATOM    957  CZ  ARG A 118      38.948  23.705  12.467  1.00 20.00           C  
-ATOM    958  NH1 ARG A 118      40.004  24.257  11.851  1.00 19.60           N  
-ATOM    959  NH2 ARG A 118      39.108  22.575  13.108  1.00 20.60           N  
-ATOM    960  N   HIS A 119      34.291  27.241   7.482  1.00 10.30           N  
-ATOM    961  CA  HIS A 119      34.580  27.786   6.155  1.00 10.20           C  
-ATOM    962  C   HIS A 119      33.411  28.435   5.432  1.00 11.10           C  
-ATOM    963  O   HIS A 119      33.188  28.201   4.237  1.00 11.00           O  
-ATOM    964  CB  HIS A 119      35.099  26.641   5.271  1.00  9.60           C  
-ATOM    965  CG  HIS A 119      36.270  25.868   5.908  1.00 10.30           C  
-ATOM    966  ND1 HIS A 119      37.493  26.528   5.959  1.00 10.50           N  
-ATOM    967  CD2 HIS A 119      36.364  24.623   6.517  1.00  9.80           C  
-ATOM    968  CE1 HIS A 119      38.302  25.589   6.637  1.00 11.20           C  
-ATOM    969  NE2 HIS A 119      37.714  24.539   6.944  1.00  8.70           N  
-ATOM    970  N   PRO A 120      32.695  29.319   6.098  1.00 12.60           N  
-ATOM    971  CA  PRO A 120      31.532  29.974   5.528  1.00 12.70           C  
-ATOM    972  C   PRO A 120      31.791  30.620   4.161  1.00 12.90           C  
-ATOM    973  O   PRO A 120      30.950  30.644   3.303  1.00 13.60           O  
-ATOM    974  CB  PRO A 120      31.177  31.037   6.560  1.00 14.00           C  
-ATOM    975  CG  PRO A 120      32.376  31.217   7.466  1.00 12.90           C  
-ATOM    976  CD  PRO A 120      33.181  29.937   7.352  1.00 12.70           C  
-ATOM    977  N   GLY A 121      32.945  31.181   3.917  1.00 12.20           N  
-ATOM    978  CA  GLY A 121      33.148  31.841   2.647  1.00 13.50           C  
-ATOM    979  C   GLY A 121      33.319  30.808   1.536  1.00 13.60           C  
-ATOM    980  O   GLY A 121      33.285  31.164   0.366  1.00 16.10           O  
-ATOM    981  N   ASN A 122      33.781  29.605   1.858  1.00 12.30           N  
-ATOM    982  CA  ASN A 122      34.006  28.639   0.812  1.00 11.60           C  
-ATOM    983  C   ASN A 122      32.961  27.583   0.948  1.00 12.40           C  
-ATOM    984  O   ASN A 122      33.020  26.499   0.309  1.00 12.90           O  
-ATOM    985  CB  ASN A 122      35.403  28.057   0.986  1.00 12.30           C  
-ATOM    986  CG  ASN A 122      36.512  29.086   0.563  1.00 15.40           C  
-ATOM    987  OD1 ASN A 122      36.375  29.695  -0.516  1.00 15.10           O  
-ATOM    988  ND2 ASN A 122      37.477  29.352   1.336  1.00 13.50           N  
-ATOM    989  N   PHE A 123      31.839  27.921   1.642  1.00 11.30           N  
-ATOM    990  CA  PHE A 123      30.869  26.864   1.790  1.00 10.60           C  
-ATOM    991  C   PHE A 123      29.458  27.380   1.740  1.00 11.20           C  
-ATOM    992  O   PHE A 123      28.744  27.312   2.752  1.00 10.20           O  
-ATOM    993  CB  PHE A 123      31.112  26.099   3.103  1.00 10.20           C  
-ATOM    994  CG  PHE A 123      30.538  24.706   3.116  1.00 10.30           C  
-ATOM    995  CD1 PHE A 123      31.075  23.756   2.266  1.00 11.80           C  
-ATOM    996  CD2 PHE A 123      29.511  24.381   4.006  1.00 11.90           C  
-ATOM    997  CE1 PHE A 123      30.561  22.483   2.311  1.00 11.60           C  
-ATOM    998  CE2 PHE A 123      29.012  23.081   4.055  1.00 12.30           C  
-ATOM    999  CZ  PHE A 123      29.544  22.144   3.187  1.00 12.40           C  
-ATOM   1000  N   GLY A 124      29.218  28.211   0.727  1.00 10.60           N  
-ATOM   1001  CA  GLY A 124      27.896  28.739   0.533  1.00 10.50           C  
-ATOM   1002  C   GLY A 124      26.923  27.649   0.087  1.00 10.80           C  
-ATOM   1003  O   GLY A 124      27.253  26.463  -0.009  1.00 10.20           O  
-ATOM   1004  N   ALA A 125      25.757  28.060  -0.382  1.00 11.10           N  
-ATOM   1005  CA  ALA A 125      24.735  27.106  -0.728  1.00 11.80           C  
-ATOM   1006  C   ALA A 125      25.169  26.211  -1.850  1.00 11.60           C  
-ATOM   1007  O   ALA A 125      24.898  25.015  -1.780  1.00 11.90           O  
-ATOM   1008  CB  ALA A 125      23.453  27.823  -1.151  1.00 11.70           C  
-ATOM   1009  N   ASP A 126      25.733  26.750  -2.919  1.00 11.70           N  
-ATOM   1010  CA  ASP A 126      26.135  25.874  -4.000  1.00 12.50           C  
-ATOM   1011  C   ASP A 126      27.214  24.896  -3.570  1.00 11.80           C  
-ATOM   1012  O   ASP A 126      27.179  23.758  -3.998  1.00 11.60           O  
-ATOM   1013  CB  ASP A 126      26.601  26.667  -5.209  1.00 14.60           C  
-ATOM   1014  CG  ASP A 126      25.449  27.431  -5.906  1.00 18.20           C  
-ATOM   1015  OD1 ASP A 126      24.269  27.185  -5.632  1.00 19.10           O  
-ATOM   1016  OD2 ASP A 126      25.717  28.535  -6.327  1.00 22.20           O  
-ATOM   1017  N   ALA A 127      28.274  25.334  -2.854  1.00 11.00           N  
-ATOM   1018  CA  ALA A 127      29.344  24.432  -2.420  1.00 10.30           C  
-ATOM   1019  C   ALA A 127      28.767  23.357  -1.453  1.00 10.50           C  
-ATOM   1020  O   ALA A 127      29.093  22.173  -1.518  1.00 10.00           O  
-ATOM   1021  CB  ALA A 127      30.425  25.249  -1.660  1.00  9.10           C  
-ATOM   1022  N   GLN A 128      27.784  23.725  -0.583  1.00 10.10           N  
-ATOM   1023  CA  GLN A 128      27.207  22.735   0.339  1.00  9.40           C  
-ATOM   1024  C   GLN A 128      26.403  21.711  -0.460  1.00 10.10           C  
-ATOM   1025  O   GLN A 128      26.424  20.531  -0.162  1.00  9.90           O  
-ATOM   1026  CB  GLN A 128      26.259  23.405   1.351  1.00  9.40           C  
-ATOM   1027  CG  GLN A 128      25.727  22.370   2.345  1.00  9.80           C  
-ATOM   1028  CD  GLN A 128      24.898  22.951   3.508  1.00 12.70           C  
-ATOM   1029  OE1 GLN A 128      25.157  24.077   3.983  1.00 14.10           O  
-ATOM   1030  NE2 GLN A 128      23.932  22.187   4.018  1.00 13.00           N  
-ATOM   1031  N   GLY A 129      25.660  22.160  -1.475  1.00 10.20           N  
-ATOM   1032  CA  GLY A 129      24.885  21.275  -2.316  1.00  9.70           C  
-ATOM   1033  C   GLY A 129      25.852  20.318  -3.061  1.00 10.60           C  
-ATOM   1034  O   GLY A 129      25.582  19.088  -3.121  1.00 10.80           O  
-ATOM   1035  N   ALA A 130      27.053  20.805  -3.469  1.00  9.50           N  
-ATOM   1036  CA  ALA A 130      27.981  19.907  -4.150  1.00 10.00           C  
-ATOM   1037  C   ALA A 130      28.613  18.885  -3.184  1.00  9.90           C  
-ATOM   1038  O   ALA A 130      28.742  17.696  -3.516  1.00  8.90           O  
-ATOM   1039  CB  ALA A 130      29.143  20.688  -4.765  1.00  9.80           C  
-ATOM   1040  N   MET A 131      28.950  19.321  -1.953  1.00  9.60           N  
-ATOM   1041  CA  MET A 131      29.516  18.385  -0.970  1.00  9.40           C  
-ATOM   1042  C   MET A 131      28.450  17.354  -0.593  1.00  9.00           C  
-ATOM   1043  O   MET A 131      28.714  16.192  -0.387  1.00  8.40           O  
-ATOM   1044  CB  MET A 131      29.938  19.203   0.299  1.00 10.50           C  
-ATOM   1045  CG  MET A 131      30.543  18.360   1.438  1.00 12.10           C  
-ATOM   1046  SD  MET A 131      32.046  17.472   0.914  1.00 15.60           S  
-ATOM   1047  CE  MET A 131      33.205  18.776   1.029  1.00 13.80           C  
-ATOM   1048  N   ASN A 132      27.192  17.790  -0.428  1.00  9.60           N  
-ATOM   1049  CA  ASN A 132      26.149  16.863  -0.119  1.00 10.50           C  
-ATOM   1050  C   ASN A 132      25.990  15.832  -1.224  1.00 10.80           C  
-ATOM   1051  O   ASN A 132      25.662  14.672  -0.944  1.00 11.60           O  
-ATOM   1052  CB  ASN A 132      24.838  17.558   0.062  1.00 11.20           C  
-ATOM   1053  CG  ASN A 132      23.723  16.544   0.311  1.00 12.60           C  
-ATOM   1054  OD1 ASN A 132      23.713  15.808   1.287  1.00 14.80           O  
-ATOM   1055  ND2 ASN A 132      22.714  16.486  -0.553  1.00 14.70           N  
-ATOM   1056  N   LYS A 133      26.065  16.252  -2.477  1.00  9.90           N  
-ATOM   1057  CA  LYS A 133      25.934  15.327  -3.603  1.00 10.90           C  
-ATOM   1058  C   LYS A 133      27.107  14.361  -3.579  1.00  9.30           C  
-ATOM   1059  O   LYS A 133      26.962  13.151  -3.810  1.00  9.70           O  
-ATOM   1060  CB  LYS A 133      26.028  16.165  -4.876  1.00 12.80           C  
-ATOM   1061  CG  LYS A 133      24.962  15.906  -5.886  1.00 18.70           C  
-ATOM   1062  CD  LYS A 133      25.091  16.778  -7.124  1.00 21.80           C  
-ATOM   1063  CE  LYS A 133      24.949  15.858  -8.329  1.00 25.60           C  
-ATOM   1064  NZ  LYS A 133      24.725  16.599  -9.578  1.00 27.60           N  
-ATOM   1065  N   ALA A 134      28.299  14.855  -3.202  1.00  8.80           N  
-ATOM   1066  CA  ALA A 134      29.449  13.956  -3.211  1.00  8.90           C  
-ATOM   1067  C   ALA A 134      29.331  12.890  -2.098  1.00  9.80           C  
-ATOM   1068  O   ALA A 134      29.633  11.683  -2.286  1.00  9.00           O  
-ATOM   1069  CB  ALA A 134      30.734  14.746  -2.985  1.00  8.00           C  
-ATOM   1070  N   LEU A 135      28.768  13.283  -0.934  1.00  9.40           N  
-ATOM   1071  CA  LEU A 135      28.644  12.321   0.176  1.00 10.00           C  
-ATOM   1072  C   LEU A 135      27.456  11.388  -0.088  1.00 10.60           C  
-ATOM   1073  O   LEU A 135      27.466  10.223   0.339  1.00 11.30           O  
-ATOM   1074  CB  LEU A 135      28.438  13.098   1.457  1.00 10.50           C  
-ATOM   1075  CG  LEU A 135      29.599  14.004   1.906  1.00 11.90           C  
-ATOM   1076  CD1 LEU A 135      29.222  14.740   3.224  1.00 12.60           C  
-ATOM   1077  CD2 LEU A 135      30.818  13.139   2.130  1.00 12.30           C  
-ATOM   1078  N   GLU A 136      26.417  11.860  -0.817  1.00 10.20           N  
-ATOM   1079  CA  GLU A 136      25.314  10.979  -1.154  1.00 11.30           C  
-ATOM   1080  C   GLU A 136      25.844   9.924  -2.157  1.00 10.90           C  
-ATOM   1081  O   GLU A 136      25.476   8.763  -2.078  1.00 11.10           O  
-ATOM   1082  CB  GLU A 136      24.190  11.726  -1.824  1.00 12.70           C  
-ATOM   1083  CG  GLU A 136      23.500  12.611  -0.831  1.00 20.50           C  
-ATOM   1084  CD  GLU A 136      22.129  13.058  -1.344  1.00 25.30           C  
-ATOM   1085  OE1 GLU A 136      21.968  13.128  -2.595  1.00 28.20           O  
-ATOM   1086  OE2 GLU A 136      21.419  13.700  -0.545  1.00 28.00           O  
-ATOM   1087  N   LEU A 137      26.723  10.321  -3.088  1.00  9.90           N  
-ATOM   1088  CA  LEU A 137      27.284   9.378  -4.024  1.00 10.80           C  
-ATOM   1089  C   LEU A 137      28.101   8.334  -3.269  1.00 11.00           C  
-ATOM   1090  O   LEU A 137      27.980   7.113  -3.541  1.00 10.80           O  
-ATOM   1091  CB  LEU A 137      28.196  10.097  -5.028  1.00 12.50           C  
-ATOM   1092  CG  LEU A 137      28.963   9.206  -6.024  1.00 13.80           C  
-ATOM   1093  CD1 LEU A 137      27.961   8.419  -6.880  1.00 15.80           C  
-ATOM   1094  CD2 LEU A 137      29.884  10.047  -6.927  1.00 13.40           C  
-ATOM   1095  N   PHE A 138      28.934   8.793  -2.306  1.00 10.60           N  
-ATOM   1096  CA  PHE A 138      29.732   7.862  -1.485  1.00 11.10           C  
-ATOM   1097  C   PHE A 138      28.822   6.880  -0.704  1.00 11.20           C  
-ATOM   1098  O   PHE A 138      29.016   5.654  -0.765  1.00 10.30           O  
-ATOM   1099  CB  PHE A 138      30.588   8.712  -0.526  1.00 12.80           C  
-ATOM   1100  CG  PHE A 138      31.208   7.916   0.629  1.00 15.30           C  
-ATOM   1101  CD1 PHE A 138      32.244   7.034   0.372  1.00 15.60           C  
-ATOM   1102  CD2 PHE A 138      30.687   8.059   1.908  1.00 17.10           C  
-ATOM   1103  CE1 PHE A 138      32.728   6.289   1.415  1.00 17.60           C  
-ATOM   1104  CE2 PHE A 138      31.199   7.297   2.959  1.00 19.10           C  
-ATOM   1105  CZ  PHE A 138      32.220   6.406   2.698  1.00 18.30           C  
-ATOM   1106  N   ARG A 139      27.730   7.378  -0.062  1.00 10.80           N  
-ATOM   1107  CA  ARG A 139      26.789   6.515   0.674  1.00 12.10           C  
-ATOM   1108  C   ARG A 139      26.048   5.527  -0.262  1.00 13.10           C  
-ATOM   1109  O   ARG A 139      25.775   4.394   0.092  1.00 13.20           O  
-ATOM   1110  CB  ARG A 139      25.741   7.386   1.326  1.00 11.30           C  
-ATOM   1111  CG  ARG A 139      26.233   7.888   2.662  1.00 12.60           C  
-ATOM   1112  CD  ARG A 139      25.026   8.411   3.386  1.00 14.90           C  
-ATOM   1113  NE  ARG A 139      25.191   9.812   3.433  1.00 20.40           N  
-ATOM   1114  CZ  ARG A 139      24.622  10.794   2.756  1.00 16.90           C  
-ATOM   1115  NH1 ARG A 139      23.333  10.958   2.471  1.00 15.40           N  
-ATOM   1116  NH2 ARG A 139      25.227  11.874   3.138  1.00 17.90           N  
-ATOM   1117  N   LYS A 140      25.642   5.969  -1.454  1.00 13.80           N  
-ATOM   1118  CA  LYS A 140      24.923   5.096  -2.388  1.00 14.70           C  
-ATOM   1119  C   LYS A 140      25.872   3.998  -2.909  1.00 14.20           C  
-ATOM   1120  O   LYS A 140      25.528   2.807  -2.833  1.00 13.10           O  
-ATOM   1121  CB  LYS A 140      24.403   5.961  -3.539  1.00 16.80           C  
-ATOM   1122  CG  LYS A 140      24.174   5.197  -4.823  1.00 22.70           C  
-ATOM   1123  CD  LYS A 140      23.503   6.156  -5.801  1.00 27.90           C  
-ATOM   1124  CE  LYS A 140      24.506   6.809  -6.781  1.00 31.70           C  
-ATOM   1125  NZ  LYS A 140      25.712   5.999  -6.920  1.00 34.60           N  
-ATOM   1126  N   ASP A 141      27.153   4.364  -3.164  1.00 13.50           N  
-ATOM   1127  CA  ASP A 141      28.085   3.345  -3.608  1.00 14.50           C  
-ATOM   1128  C   ASP A 141      28.451   2.369  -2.466  1.00 13.90           C  
-ATOM   1129  O   ASP A 141      28.649   1.150  -2.673  1.00 13.30           O  
-ATOM   1130  CB  ASP A 141      29.334   3.951  -4.231  1.00 14.20           C  
-ATOM   1131  CG  ASP A 141      29.123   4.310  -5.698  1.00 15.90           C  
-ATOM   1132  OD1 ASP A 141      27.983   4.275  -6.137  1.00 15.90           O  
-ATOM   1133  OD2 ASP A 141      29.972   5.029  -6.237  1.00 17.20           O  
-ATOM   1134  N   ILE A 142      28.618   2.887  -1.254  1.00 13.40           N  
-ATOM   1135  CA  ILE A 142      28.935   1.975  -0.143  1.00 15.30           C  
-ATOM   1136  C   ILE A 142      27.715   1.072   0.100  1.00 15.00           C  
-ATOM   1137  O   ILE A 142      27.859  -0.090   0.494  1.00 15.90           O  
-ATOM   1138  CB  ILE A 142      29.207   2.786   1.176  1.00 16.20           C  
-ATOM   1139  CG1 ILE A 142      30.568   3.416   1.151  1.00 18.20           C  
-ATOM   1140  CG2 ILE A 142      29.054   1.894   2.422  1.00 18.10           C  
-ATOM   1141  CD1 ILE A 142      31.608   2.414   1.691  1.00 21.40           C  
-ATOM   1142  N   ALA A 143      26.476   1.657   0.059  1.00 14.60           N  
-ATOM   1143  CA  ALA A 143      25.281   0.825   0.310  1.00 14.00           C  
-ATOM   1144  C   ALA A 143      25.199  -0.317  -0.723  1.00 13.40           C  
-ATOM   1145  O   ALA A 143      24.898  -1.463  -0.381  1.00 13.80           O  
-ATOM   1146  CB  ALA A 143      24.005   1.688   0.209  1.00 12.70           C  
-ATOM   1147  N   ALA A 144      25.581  -0.043  -1.969  1.00 13.00           N  
-ATOM   1148  CA  ALA A 144      25.535  -1.075  -3.002  1.00 13.70           C  
-ATOM   1149  C   ALA A 144      26.583  -2.117  -2.680  1.00 14.00           C  
-ATOM   1150  O   ALA A 144      26.255  -3.309  -2.755  1.00 14.30           O  
-ATOM   1151  CB  ALA A 144      25.877  -0.501  -4.388  1.00 13.90           C  
-ATOM   1152  N   LYS A 145      27.752  -1.721  -2.099  1.00 13.30           N  
-ATOM   1153  CA  LYS A 145      28.737  -2.742  -1.794  1.00 14.20           C  
-ATOM   1154  C   LYS A 145      28.306  -3.555  -0.583  1.00 13.30           C  
-ATOM   1155  O   LYS A 145      28.535  -4.760  -0.532  1.00 12.60           O  
-ATOM   1156  CB  LYS A 145      30.091  -2.122  -1.518  1.00 17.20           C  
-ATOM   1157  CG  LYS A 145      30.872  -1.900  -2.799  1.00 22.80           C  
-ATOM   1158  CD  LYS A 145      29.927  -1.533  -3.971  1.00 26.50           C  
-ATOM   1159  CE  LYS A 145      30.120  -0.068  -4.442  1.00 26.20           C  
-ATOM   1160  NZ  LYS A 145      29.170   0.334  -5.438  1.00 24.60           N  
-ATOM   1161  N   TYR A 146      27.677  -2.896   0.407  1.00 12.30           N  
-ATOM   1162  CA  TYR A 146      27.196  -3.616   1.568  1.00 13.80           C  
-ATOM   1163  C   TYR A 146      26.318  -4.771   1.098  1.00 14.60           C  
-ATOM   1164  O   TYR A 146      26.408  -5.890   1.599  1.00 14.20           O  
-ATOM   1165  CB  TYR A 146      26.325  -2.722   2.481  1.00 14.20           C  
-ATOM   1166  CG  TYR A 146      27.053  -1.801   3.483  1.00 14.40           C  
-ATOM   1167  CD1 TYR A 146      28.443  -1.701   3.560  1.00 13.40           C  
-ATOM   1168  CD2 TYR A 146      26.279  -1.185   4.470  1.00 15.70           C  
-ATOM   1169  CE1 TYR A 146      29.045  -1.020   4.641  1.00 14.40           C  
-ATOM   1170  CE2 TYR A 146      26.884  -0.510   5.553  1.00 16.30           C  
-ATOM   1171  CZ  TYR A 146      28.266  -0.438   5.624  1.00 15.30           C  
-ATOM   1172  OH  TYR A 146      28.833   0.218   6.704  1.00 16.70           O  
-ATOM   1173  N   LYS A 147      25.417  -4.487   0.189  1.00 15.50           N  
-ATOM   1174  CA  LYS A 147      24.516  -5.479  -0.318  1.00 17.70           C  
-ATOM   1175  C   LYS A 147      25.235  -6.615  -0.985  1.00 16.90           C  
-ATOM   1176  O   LYS A 147      24.970  -7.755  -0.617  1.00 16.30           O  
-ATOM   1177  CB  LYS A 147      23.551  -4.911  -1.315  1.00 20.70           C  
-ATOM   1178  CG  LYS A 147      22.357  -5.824  -1.478  1.00 27.10           C  
-ATOM   1179  CD  LYS A 147      21.555  -5.428  -2.735  1.00 32.20           C  
-ATOM   1180  CE  LYS A 147      20.270  -6.265  -2.908  1.00 35.40           C  
-ATOM   1181  NZ  LYS A 147      20.156  -7.323  -1.890  1.00 37.70           N  
-ATOM   1182  N   GLU A 148      26.284  -6.336  -1.760  1.00 16.20           N  
-ATOM   1183  CA  GLU A 148      27.049  -7.433  -2.374  1.00 16.90           C  
-ATOM   1184  C   GLU A 148      27.773  -8.271  -1.299  1.00 16.50           C  
-ATOM   1185  O   GLU A 148      27.935  -9.474  -1.441  1.00 14.90           O  
-ATOM   1186  CB  GLU A 148      28.138  -6.902  -3.292  1.00 17.60           C  
-ATOM   1187  CG  GLU A 148      27.576  -6.102  -4.432  1.00 23.20           C  
-ATOM   1188  CD  GLU A 148      28.652  -5.501  -5.321  1.00 26.20           C  
-ATOM   1189  OE1 GLU A 148      29.750  -6.066  -5.371  1.00 27.70           O  
-ATOM   1190  OE2 GLU A 148      28.269  -4.773  -6.244  1.00 29.30           O  
-ATOM   1191  N   LEU A 149      28.189  -7.629  -0.191  1.00 15.10           N  
-ATOM   1192  CA  LEU A 149      28.908  -8.328   0.855  1.00 15.40           C  
-ATOM   1193  C   LEU A 149      27.963  -9.105   1.806  1.00 16.30           C  
-ATOM   1194  O   LEU A 149      28.426  -9.770   2.757  1.00 16.30           O  
-ATOM   1195  CB  LEU A 149      29.781  -7.340   1.641  1.00 15.60           C  
-ATOM   1196  CG  LEU A 149      30.922  -6.603   0.902  1.00 16.30           C  
-ATOM   1197  CD1 LEU A 149      31.426  -5.466   1.744  1.00 16.60           C  
-ATOM   1198  CD2 LEU A 149      32.135  -7.467   0.680  1.00 17.60           C  
-ATOM   1199  N   GLY A 150      26.648  -8.815   1.731  1.00 16.20           N  
-ATOM   1200  CA  GLY A 150      25.713  -9.552   2.528  1.00 18.10           C  
-ATOM   1201  C   GLY A 150      25.178  -8.819   3.720  1.00 20.50           C  
-ATOM   1202  O   GLY A 150      24.801  -9.518   4.655  1.00 21.00           O  
-ATOM   1203  N   TYR A 151      25.547  -7.540   3.912  1.00 22.50           N  
-ATOM   1204  CA  TYR A 151      25.048  -6.761   5.043  1.00 25.60           C  
-ATOM   1205  C   TYR A 151      23.942  -5.737   4.727  1.00 28.90           C  
-ATOM   1206  O   TYR A 151      22.860  -5.688   5.325  1.00 29.00           O  
-ATOM   1207  CB  TYR A 151      26.244  -6.032   5.674  1.00 25.30           C  
-ATOM   1208  CG  TYR A 151      25.919  -5.065   6.829  1.00 25.40           C  
-ATOM   1209  CD1 TYR A 151      25.511  -5.519   8.056  1.00 25.10           C  
-ATOM   1210  CD2 TYR A 151      26.149  -3.730   6.684  1.00 27.30           C  
-ATOM   1211  CE1 TYR A 151      25.332  -4.663   9.120  1.00 25.30           C  
-ATOM   1212  CE2 TYR A 151      25.992  -2.846   7.750  1.00 26.70           C  
-ATOM   1213  CZ  TYR A 151      25.571  -3.328   8.960  1.00 26.50           C  
-ATOM   1214  OH  TYR A 151      25.399  -2.443  10.027  1.00 27.40           O  
-ATOM   1215  N   GLN A 152      24.025  -5.034   3.639  1.00 33.00           N  
-ATOM   1216  CA  GLN A 152      23.021  -3.977   3.422  1.00 38.60           C  
-ATOM   1217  C   GLN A 152      22.397  -3.421   4.725  1.00 40.10           C  
-ATOM   1218  O   GLN A 152      21.187  -3.217   4.817  1.00 40.70           O  
-ATOM   1219  CB  GLN A 152      21.879  -4.368   2.484  1.00 40.30           C  
-ATOM   1220  CG  GLN A 152      21.047  -3.128   2.130  1.00 42.80           C  
-ATOM   1221  CD  GLN A 152      21.903  -1.846   2.104  1.00 44.70           C  
-ATOM   1222  OE1 GLN A 152      23.092  -1.862   1.777  1.00 44.30           O  
-ATOM   1223  NE2 GLN A 152      21.313  -0.697   2.441  1.00 46.00           N  
-ATOM   1224  N   GLY A 153      23.238  -2.957   5.666  1.00 41.10           N  
-ATOM   1225  CA  GLY A 153      22.707  -2.410   6.905  1.00 42.10           C  
-ATOM   1226  C   GLY A 153      22.638  -0.893   6.837  1.00 42.40           C  
-ATOM   1227  O   GLY A 153      21.735  -0.326   7.401  1.00 42.00           O  
-ATOM   1228  OXT GLY A 153      23.203  -0.350   5.898  1.00 45.00           O  
-TER    1229      GLY A 153                                                      
-HETATM 1230  S   SO4 A 156      30.549  18.438  28.665  1.00 41.00           S  
-HETATM 1231  O1  SO4 A 156      29.701  19.396  28.024  1.00 41.30           O  
-HETATM 1232  O2  SO4 A 156      30.802  17.430  27.693  1.00 39.30           O  
-HETATM 1233  O3  SO4 A 156      29.896  17.882  29.769  1.00 40.10           O  
-HETATM 1234  O4  SO4 A 156      31.708  19.082  29.152  1.00 38.70           O  
-HETATM 1235 FE   HEM A 154      34.974   4.250  10.278  1.00 11.90          FE  
-HETATM 1236  CHA HEM A 154      37.641   2.509  11.433  1.00 11.70           C  
-HETATM 1237  CHB HEM A 154      36.895   5.346   7.655  1.00  9.90           C  
-HETATM 1238  CHC HEM A 154      32.315   6.136   9.023  1.00 11.40           C  
-HETATM 1239  CHD HEM A 154      33.074   3.155  12.819  1.00 11.30           C  
-HETATM 1240  NA  HEM A 154      36.851   4.052   9.703  1.00 10.60           N  
-HETATM 1241  C1A HEM A 154      37.858   3.308  10.235  1.00 11.70           C  
-HETATM 1242  C2A HEM A 154      39.159   3.305   9.542  1.00 12.10           C  
-HETATM 1243  C3A HEM A 154      38.860   4.126   8.416  1.00 11.30           C  
-HETATM 1244  C4A HEM A 154      37.468   4.561   8.571  1.00  9.90           C  
-HETATM 1245  CMA HEM A 154      39.772   4.567   7.259  1.00 10.70           C  
-HETATM 1246  CAA HEM A 154      40.540   2.441   9.819  1.00 13.50           C  
-HETATM 1247  CBA HEM A 154      40.600   1.136   9.019  1.00 15.90           C  
-HETATM 1248  CGA HEM A 154      39.284   0.325   9.048  1.00 18.70           C  
-HETATM 1249  O1A HEM A 154      38.890  -0.209  10.110  1.00 20.00           O  
-HETATM 1250  O2A HEM A 154      38.647   0.224   8.000  1.00 20.30           O  
-HETATM 1251  NB  HEM A 154      34.670   5.539   8.621  1.00 11.50           N  
-HETATM 1252  C1B HEM A 154      35.563   5.833   7.651  1.00 10.70           C  
-HETATM 1253  C2B HEM A 154      35.015   6.754   6.608  1.00 11.50           C  
-HETATM 1254  C3B HEM A 154      33.760   6.946   7.128  1.00 11.50           C  
-HETATM 1255  C4B HEM A 154      33.524   6.117   8.279  1.00 11.20           C  
-HETATM 1256  CMB HEM A 154      35.704   7.392   5.272  1.00  9.70           C  
-HETATM 1257  CAB HEM A 154      32.824   7.898   6.585  1.00 13.20           C  
-HETATM 1258  CBB HEM A 154      33.317   9.212   6.152  1.00 16.70           C  
-HETATM 1259  NC  HEM A 154      33.181   4.545  10.766  1.00 10.70           N  
-HETATM 1260  C1C HEM A 154      32.227   5.430  10.265  1.00 12.20           C  
-HETATM 1261  C2C HEM A 154      31.049   5.489  11.109  1.00 12.70           C  
-HETATM 1262  C3C HEM A 154      31.232   4.631  12.185  1.00 12.90           C  
-HETATM 1263  C4C HEM A 154      32.550   4.023  11.892  1.00 11.90           C  
-HETATM 1264  CMC HEM A 154      29.986   6.578  10.944  1.00 12.50           C  
-HETATM 1265  CAC HEM A 154      30.536   4.438  13.464  1.00 14.20           C  
-HETATM 1266  CBC HEM A 154      29.298   5.110  13.805  1.00 15.80           C  
-HETATM 1267  ND  HEM A 154      35.300   3.131  11.758  1.00 11.00           N  
-HETATM 1268  C1D HEM A 154      34.421   2.809  12.776  1.00 12.20           C  
-HETATM 1269  C2D HEM A 154      34.948   1.870  13.739  1.00 12.20           C  
-HETATM 1270  C3D HEM A 154      36.276   1.699  13.387  1.00 11.70           C  
-HETATM 1271  C4D HEM A 154      36.420   2.493  12.117  1.00 10.90           C  
-HETATM 1272  CMD HEM A 154      34.185   1.176  14.995  1.00 12.30           C  
-HETATM 1273  CAD HEM A 154      37.505   1.071  14.191  1.00 14.00           C  
-HETATM 1274  CBD HEM A 154      38.171   2.211  14.984  1.00 19.00           C  
-HETATM 1275  CGD HEM A 154      39.362   1.880  15.896  1.00 23.60           C  
-HETATM 1276  O1D HEM A 154      39.121   1.334  16.966  1.00 26.10           O  
-HETATM 1277  O2D HEM A 154      40.491   1.816  15.409  1.00 25.50           O  
-HETATM 1278  C   CMO A 155      35.381   5.637  11.365  1.00 12.50           C  
-HETATM 1279  O   CMO A 155      35.185   6.527  12.011  1.00 13.60           O  
-HETATM 1280  O   HOH A 200      37.616  28.829   4.334  1.00  9.90           O  
-HETATM 1281  O   HOH A 201      34.616  10.157  -5.324  0.97  9.20           O  
-HETATM 1282  O   HOH A 202      34.037  25.543  -2.177  1.00 12.40           O  
-HETATM 1283  O   HOH A 203      41.428  14.160  14.321  1.00 14.30           O  
-HETATM 1284  O   HOH A 204      37.017  29.634  10.818  1.00 14.70           O  
-HETATM 1285  O   HOH A 205      39.489  26.294  10.051  1.00 14.80           O  
-HETATM 1286  O   HOH A 206      34.517  13.085  33.321  1.00 16.50           O  
-HETATM 1287  O   HOH A 207      31.895  13.041 -12.160  1.00 17.20           O  
-HETATM 1288  O   HOH A 208      28.767  28.271  -2.726  1.00 17.40           O  
-HETATM 1289  O   HOH A 209      46.817  19.111   7.897  1.00 17.70           O  
-HETATM 1290  O   HOH A 210      30.420  11.567 -10.157  1.00 17.80           O  
-HETATM 1291  O   HOH A 211      48.733  23.590   7.914  0.93 15.20           O  
-HETATM 1292  O   HOH A 212      40.865  14.362  20.319  0.89 13.80           O  
-HETATM 1293  O   HOH A 213      25.018  14.290   2.850  0.97 17.90           O  
-HETATM 1294  O   HOH A 214      42.881   9.704  -4.237  0.90 15.70           O  
-HETATM 1295  O   HOH A 215      43.531  12.341   1.604  1.00 20.60           O  
-HETATM 1296  O   HOH A 216      46.922  19.770  12.064  0.95 18.80           O  
-HETATM 1297  O   HOH A 217      29.820   8.799 -10.457  1.00 21.90           O  
-HETATM 1298  O   HOH A 218      32.472  19.842  17.130  0.92 19.90           O  
-HETATM 1299  O   HOH A 219      35.116  15.638 -13.803  0.94 21.10           O  
-HETATM 1300  O   HOH A 220      35.686  30.679   4.542  1.00 23.90           O  
-HETATM 1301  O   HOH A 221      34.690  29.588  12.326  0.98 23.40           O  
-HETATM 1302  O   HOH A 222      44.870  21.157  15.044  0.81 17.00           O  
-HETATM 1303  O   HOH A 223      21.919  13.731   1.699  0.79 17.10           O  
-HETATM 1304  O   HOH A 224      23.053   1.865  -3.472  1.00 25.90           O  
-HETATM 1305  O   HOH A 225      27.260  25.048  11.135  0.99 25.60           O  
-HETATM 1306  O   HOH A 226      30.807  21.518  30.807  0.70 14.00           O  
-HETATM 1307  O   HOH A 227      25.999  22.831  -6.347  1.00 27.10           O  
-HETATM 1308  O   HOH A 228      26.283  30.050  -3.210  0.82 20.00           O  
-HETATM 1309  O   HOH A 229      28.052  30.001   4.306  0.89 23.10           O  
-HETATM 1310  O   HOH A 230      45.262  12.674  -0.598  0.98 26.70           O  
-HETATM 1311  O   HOH A 231      35.445  33.303   5.055  0.78 18.50           O  
-HETATM 1312  O   HOH A 232      20.615   2.051   8.085  0.77 18.80           O  
-HETATM 1313  O   HOH A 233      37.005   1.239  18.592  0.72 16.50           O  
-HETATM 1314  O   HOH A 234      40.684  11.906  27.488  0.73 17.30           O  
-HETATM 1315  O   HOH A 235      40.363   5.762   0.825  0.66 13.70           O  
-HETATM 1316  O   HOH A 236      39.261   3.220  -7.967  1.00 28.90           O  
-HETATM 1317  O   HOH A 237      25.870  14.493  13.240  1.00 28.90           O  
-HETATM 1318  O   HOH A 238      39.969   3.068   1.238  0.85 23.70           O  
-HETATM 1319  O   HOH A 239      24.229  30.099   6.836  0.78 20.90           O  
-HETATM 1320  O   HOH A 240      31.174  28.968  -1.532  0.85 24.00           O  
-HETATM 1321  O   HOH A 241      22.149  26.467  -4.191  1.00 29.90           O  
-HETATM 1322  O   HOH A 242      36.766   2.320  25.892  0.83 23.40           O  
-HETATM 1323  O   HOH A 243      32.018  -1.685  16.165  0.73 19.00           O  
-HETATM 1324  O   HOH A 244      21.759   7.592   2.613  0.71 18.30           O  
-HETATM 1325  O   HOH A 245      39.697  10.312 -11.016  0.87 25.70           O  
-HETATM 1326  O   HOH A 246      27.839  11.625  23.749  1.00 30.90           O  
-HETATM 1327  O   HOH A 247      41.697  14.842  -7.811  0.73 19.80           O  
-HETATM 1328  O   HOH A 248      30.688   6.667  -8.697  1.00 31.50           O  
-HETATM 1329  O   HOH A 249      43.472   6.493   6.146  0.56 10.70           O  
-HETATM 1330  O   HOH A 250      32.173  10.586  -3.557  0.85 26.10           O  
-HETATM 1331  O   HOH A 251      40.151  18.711  27.184  1.00 32.40           O  
-HETATM 1332  O   HOH A 252      24.692  -4.258  -4.764  0.57 12.20           O  
-HETATM 1333  O   HOH A 253      41.469   4.318  13.901  1.00 33.00           O  
-HETATM 1334  O   HOH A 254      25.190  20.602  -6.532  0.61 15.40           O  
-HETATM 1335  O   HOH A 255      41.010   7.829  24.212  0.77 24.20           O  
-HETATM 1336  O   HOH A 256      43.404  10.895  -6.880  0.89 29.70           O  
-HETATM 1337  O   HOH A 257      39.670   7.497  31.312  0.94 31.70           O  
-HETATM 1338  O   HOH A 258      43.505   6.783  -3.894  0.83 28.10           O  
-HETATM 1339  O   HOH A 259      25.517  16.943  13.254  0.95 33.10           O  
-HETATM 1340  O   HOH A 260      39.225  -6.002   0.196  1.00 35.80           O  
-HETATM 1341  O   HOH A 261      36.916  24.327  16.023  1.00 35.90           O  
-HETATM 1342  O   HOH A 262      25.060   1.834  18.487  1.00 36.10           O  
-HETATM 1343  O   HOH A 263      41.183   5.231  23.441  1.00 36.30           O  
-HETATM 1344  O   HOH A 264      45.122  10.906  25.450  0.57 16.20           O  
-HETATM 1345  O   HOH A 265      33.261  28.058  -3.215  0.82 29.30           O  
-HETATM 1346  O   HOH A 266      23.164  31.479   4.817  0.82 29.40           O  
-HETATM 1347  O   HOH A 267      32.712  25.184  -9.882  0.76 26.80           O  
-HETATM 1348  O   HOH A 268      32.779   5.839  31.047  0.99 37.20           O  
-HETATM 1349  O   HOH A 269      39.731  21.051  16.938  0.69 24.40           O  
-HETATM 1350  O   HOH A 270      27.791  -7.777   9.206  0.60 19.40           O  
-HETATM 1351  O   HOH A 271      40.452  -0.540  12.237  0.73 26.60           O  
-HETATM 1352  O   HOH A 272      39.337   0.180   5.689  0.73 26.60           O  
-HETATM 1353  O   HOH A 273      35.152  -0.677  18.013  0.80 29.90           O  
-HETATM 1354  O   HOH A 274      34.151  23.524  14.181  0.90 34.50           O  
-HETATM 1355  O   HOH A 275      21.913  -0.667  -2.656  0.73 27.40           O  
-HETATM 1356  O   HOH A 276      22.951  18.908  -4.308  0.53 16.30           O  
-HETATM 1357  O   HOH A 277      40.780  17.652  -9.818  0.97 38.40           O  
-HETATM 1358  O   HOH A 278      30.196  19.994  18.780  1.00 40.00           O  
-HETATM 1359  O   HOH A 279      35.167  -2.658  15.425  0.61 22.30           O  
-HETATM 1360  O   HOH A 280      20.347   9.755  17.053  0.88 35.70           O  
-HETATM 1361  O   HOH A 281      40.483  30.392  -1.290  1.00 40.40           O  
-HETATM 1362  O   HOH A 282      41.496  19.431  -2.440  0.75 30.20           O  
-HETATM 1363  O   HOH A 283      29.336  31.971   1.188  0.96 39.20           O  
-HETATM 1364  O   HOH A 284      38.383  12.174  32.732  0.93 38.20           O  
-HETATM 1365  O   HOH A 285      28.326  22.282 -12.819  1.00 40.90           O  
-HETATM 1366  O   HOH A 286      21.357  13.765   9.052  0.94 38.90           O  
-HETATM 1367  O   HOH A 287      21.917  24.351  -2.654  0.73 29.80           O  
-HETATM 1368  O   HOH A 288      48.778  19.763  14.277  1.00 41.50           O  
-HETATM 1369  O   HOH A 289      34.550  25.720 -12.039  1.00 41.50           O  
-HETATM 1370  O   HOH A 290      43.698   5.550  13.463  0.92 39.00           O  
-HETATM 1371  O   HOH A 291      43.998  12.069  27.670  1.00 42.10           O  
-HETATM 1372  O   HOH A 292      44.118   8.581  24.274  1.00 42.10           O  
-HETATM 1373  O   HOH A 293      26.677   6.789  24.008  0.40  9.20           O  
-HETATM 1374  O   HOH A 294      44.943  10.309  -2.529  0.71 30.00           O  
-HETATM 1375  O   HOH A 295      22.701   8.019  -1.243  0.47 15.20           O  
-HETATM 1376  O   HOH A 296      34.663  30.320  -2.689  0.89 38.30           O  
-HETATM 1377  O   HOH A 297      49.436   9.571  18.201  1.00 42.80           O  
-HETATM 1378  O   HOH A 298      31.663  32.019  13.328  0.92 39.80           O  
-HETATM 1379  O   HOH A 299      40.189  -6.110   2.857  0.96 41.50           O  
-HETATM 1380  O   HOH A 300      31.030  30.440  11.214  1.00 43.10           O  
-HETATM 1381  O   HOH A 301      24.657  19.619   8.504  0.76 33.40           O  
-HETATM 1382  O   HOH A 302      22.446   4.801   0.729  0.72 31.50           O  
-HETATM 1383  O   HOH A 303      43.101  14.546   2.936  1.00 43.50           O  
-HETATM 1384  O   HOH A 304      31.868   2.860  -7.295  0.62 26.40           O  
-HETATM 1385  O   HOH A 305      31.178  -5.246  15.675  1.00 43.90           O  
-HETATM 1386  O   HOH A 306      28.443  11.163  28.580  0.97 43.00           O  
-HETATM 1387  O   HOH A 307      23.427  -6.681  -4.688  1.00 44.10           O  
-HETATM 1388  O   HOH A 308      32.113  21.562  -1.156  0.60 26.00           O  
-HETATM 1389  O   HOH A 309      28.350   0.993  -7.697  0.93 42.00           O  
-HETATM 1390  O   HOH A 310      38.576   9.760  29.967  1.00 45.30           O  
-HETATM 1391  O   HOH A 311      28.925  29.679   9.448  0.73 34.00           O  
-HETATM 1392  O   HOH A 312      27.345   9.336  25.426  0.95 43.90           O  
-HETATM 1393  O   HOH A 313      31.231  31.596  -1.293  0.90 42.10           O  
-HETATM 1394  O   HOH A 314      31.109  34.757   0.851  0.81 38.40           O  
-HETATM 1395  O   HOH A 315      45.427  17.001  -3.576  0.82 38.90           O  
-HETATM 1396  O   HOH A 316      38.970  23.205  -6.660  0.83 39.60           O  
-HETATM 1397  O   HOH A 317      39.635  -3.122   9.854  0.65 30.90           O  
-HETATM 1398  O   HOH A 318      40.508  -2.330  -3.936  0.39 12.70           O  
-HETATM 1399  O   HOH A 319      41.147  13.533  29.702  0.94 44.50           O  
-HETATM 1400  O   HOH A 320      27.985   5.101  -8.923  0.84 40.60           O  
-HETATM 1401  O   HOH A 321      24.793  14.265  23.775  0.73 35.90           O  
-HETATM 1402  O   HOH A 322      31.943   0.942  -5.924  0.86 41.80           O  
-HETATM 1403  O   HOH A 323      41.539   1.584  13.300  0.60 28.90           O  
-HETATM 1404  O   HOH A 324      27.904 -10.732   5.336  0.94 46.20           O  
-HETATM 1405  O   HOH A 325      44.065  15.638  21.464  0.90 44.80           O  
-HETATM 1406  O   HOH A 326      41.634  22.408  -4.725  0.81 41.10           O  
-HETATM 1407  O   HOH A 327      40.621   5.841 -10.482  0.69 35.40           O  
-HETATM 1408  O   HOH A 328      27.067  24.004  -8.467  0.94 46.70           O  
-HETATM 1409  O   HOH A 329      31.805  22.042  15.116  0.82 41.80           O  
-HETATM 1410  O   HOH A 330      33.612   3.396  30.980  0.90 45.60           O  
-HETATM 1411  O   HOH A 331      23.538   6.622   2.108  0.92 46.50           O  
-HETATM 1412  O   HOH A 332      28.532  -4.081  16.060  0.88 45.80           O  
-HETATM 1413  O   HOH A 333      46.964  24.774  10.573  0.68 36.60           O  
-HETATM 1414  O   HOH A 334      25.302  17.707 -12.031  0.78 41.70           O  
-HETATM 1415  O   HOH A 335      40.629   8.186 -12.157  0.87 45.70           O  
-HETATM 1416  O   HOH A 336      34.439  20.759  18.955  0.32  9.70           O  
-HETATM 1417  O   HOH A 337      46.678   8.816  12.265  0.60 32.70           O  
-HETATM 1418  O   HOH A 338      41.566  22.960  14.769  0.80 43.30           O  
-HETATM 1419  O   HOH A 339      26.089  -3.952  -6.656  0.93 48.90           O  
-HETATM 1420  O   HOH A 340      29.937  10.715  26.074  0.65 36.40           O  
-HETATM 1421  O   HOH A 341      44.618  24.847   2.558  0.68 38.10           O  
-HETATM 1422  O   HOH A 342      29.989  -7.220  10.542  0.83 45.30           O  
-HETATM 1423  O   HOH A 343      43.088  16.697  -6.285  0.78 43.50           O  
-HETATM 1424  O   HOH A 344      23.727  -3.288  11.752  0.80 44.50           O  
-HETATM 1425  O   HOH A 345      22.495  20.737  -6.140  1.00 53.10           O  
-HETATM 1426  O   HOH A 346      50.233   5.372  17.021  0.89 49.00           O  
-HETATM 1427  O   HOH A 347      39.553  -0.155  15.461  0.81 46.40           O  
-HETATM 1428  O   HOH A 348      33.508   1.251  28.525  0.81 46.40           O  
-HETATM 1429  O   HOH A 349      20.033   5.946  15.755  0.40 21.00           O  
-HETATM 1430  O   HOH A 350      21.613  10.889  -2.923  0.91 50.70           O  
-HETATM 1431  O   HOH A 351      27.967  -2.231  -5.567  1.00 54.60           O  
-HETATM 1432  O   HOH A 352      35.602   4.183 -13.120  0.88 50.50           O  
-HETATM 1433  O   HOH A 353      43.918   2.355   9.232  0.76 46.40           O  
-HETATM 1434  O   HOH A 354      38.420  19.702 -10.311  0.54 34.20           O  
-HETATM 1435  O   HOH A 355      20.639   2.972   1.547  0.85 50.80           O  
-HETATM 1436  O   HOH A 356      38.487  21.479  26.942  1.00 57.20           O  
-HETATM 1437  O   HOH A 357      23.523   4.804  -7.886  0.82 50.40           O  
-HETATM 1438  O   HOH A 358      23.239  23.047  -5.066  1.00 57.60           O  
-CONECT  751 1235                                                                
-CONECT 1230 1231 1232 1233 1234                                                 
-CONECT 1231 1230                                                                
-CONECT 1232 1230                                                                
-CONECT 1233 1230                                                                
-CONECT 1234 1230                                                                
-CONECT 1235  751 1240 1251 1259                                                 
-CONECT 1235 1267 1278 1279                                                      
-CONECT 1236 1241 1271                                                           
-CONECT 1237 1244 1252                                                           
-CONECT 1238 1255 1260                                                           
-CONECT 1239 1263 1268                                                           
-CONECT 1240 1235 1241 1244                                                      
-CONECT 1241 1236 1240 1242                                                      
-CONECT 1242 1241 1243 1246                                                      
-CONECT 1243 1242 1244 1245                                                      
-CONECT 1244 1237 1240 1243                                                      
-CONECT 1245 1243                                                                
-CONECT 1246 1242 1247                                                           
-CONECT 1247 1246 1248                                                           
-CONECT 1248 1247 1249 1250                                                      
-CONECT 1249 1248                                                                
-CONECT 1250 1248                                                                
-CONECT 1251 1235 1252 1255                                                      
-CONECT 1252 1237 1251 1253                                                      
-CONECT 1253 1252 1254 1256                                                      
-CONECT 1254 1253 1255 1257                                                      
-CONECT 1255 1238 1251 1254                                                      
-CONECT 1256 1253                                                                
-CONECT 1257 1254 1258                                                           
-CONECT 1258 1257                                                                
-CONECT 1259 1235 1260 1263                                                      
-CONECT 1260 1238 1259 1261                                                      
-CONECT 1261 1260 1262 1264                                                      
-CONECT 1262 1261 1263 1265                                                      
-CONECT 1263 1239 1259 1262                                                      
-CONECT 1264 1261                                                                
-CONECT 1265 1262 1266                                                           
-CONECT 1266 1265                                                                
-CONECT 1267 1235 1268 1271                                                      
-CONECT 1268 1239 1267 1269                                                      
-CONECT 1269 1268 1270 1272                                                      
-CONECT 1270 1269 1271 1273                                                      
-CONECT 1271 1236 1267 1270                                                      
-CONECT 1272 1269                                                                
-CONECT 1273 1270 1274                                                           
-CONECT 1274 1273 1275                                                           
-CONECT 1275 1274 1276 1277                                                      
-CONECT 1276 1275                                                                
-CONECT 1277 1275                                                                
-CONECT 1278 1235 1279                                                           
-CONECT 1279 1235 1278                                                           
-MASTER      371    0    3    8    0    0    9    6 1437    1   52   12          
-END                                                                             
diff --git a/Tests/ChemSharp.Tests/files/benzene.mol b/Tests/ChemSharp.Tests/files/benzene.mol
deleted file mode 100644
index fd5ef41..0000000
--- a/Tests/ChemSharp.Tests/files/benzene.mol
+++ /dev/null
@@ -1,40 +0,0 @@
-
-
-
-  6  6  0  0000  0  0  0  0  0999 V2000
-    1.9950   -2.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0
-    2.6600   -1.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0
-    1.9950    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0
-    0.6650    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0
-    0.0000   -1.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0
-    0.6650   -2.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0
-  1  6  2  0
-  2  3  2  0
-  3  4  1  0
-  4  5  2  0
-  5  6  1  0
-M  END
-
-> <StdInChI>
-InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
-
-> <StdInChIKey>
-UHOVQNZJYSORNB-UHFFFAOYSA-N
-
-> <AuxInfo>
-1/0/N:1,2,6,3,5,4/E:(1,2,3,4,5,6)/rA:6nCCCCCC/rB:s1;d2;s3;d4;d1s5;/rC:1.995,-2.3036,0;2.66,-1.1518,0;1.995,0,0;.665,0,0;0,-1.1518,0;.665,-2.3036,0;
-
-> <Formula>
-C6 H6
-
-> <Mw>
-78.11184
-
-> <SMILES>
-C1=CC=CC=C1
-
-> <CSID>
-236
-
-$$$$
diff --git a/Tests/ChemSharp.Tests/files/benzene.mol2 b/Tests/ChemSharp.Tests/files/benzene.mol2
deleted file mode 100644
index 3efbd34..0000000
--- a/Tests/ChemSharp.Tests/files/benzene.mol2
+++ /dev/null
@@ -1,35 +0,0 @@
-@<TRIPOS>MOLECULE
-LIG
-   12    12     1     0     0
-SMALL
-bcc
-
-
-@<TRIPOS>ATOM
-      1 C          -1.2130   -0.6880    0.0000 ca        1 LIG     -0.130000
-      2 C1         -1.2030    0.7060    0.0000 ca        1 LIG     -0.130000
-      3 C2         -0.0100   -1.3950    0.0000 ca        1 LIG     -0.130000
-      4 C3          0.0100    1.3950   -0.0000 ca        1 LIG     -0.130000
-      5 C4          1.2030   -0.7060    0.0000 ca        1 LIG     -0.130000
-      6 C5          1.2130    0.6880    0.0000 ca        1 LIG     -0.130000
-      7 H          -2.1580   -1.2240    0.0000 ha        1 LIG      0.130000
-      8 H1         -2.1390    1.2560    0.0000 ha        1 LIG      0.130000
-      9 H2         -0.0180   -2.4810   -0.0000 ha        1 LIG      0.130000
-     10 H3          0.0180    2.4810    0.0000 ha        1 LIG      0.130000
-     11 H4          2.1390   -1.2560    0.0000 ha        1 LIG      0.130000
-     12 H5          2.1580    1.2240    0.0000 ha        1 LIG      0.130000
-@<TRIPOS>BOND
-     1    1    2 ar  
-     2    1    3 ar  
-     3    1    7 1   
-     4    2    4 ar  
-     5    2    8 1   
-     6    3    5 ar  
-     7    3    9 1   
-     8    4    6 ar  
-     9    4   10 1   
-    10    5    6 ar  
-    11    5   11 1   
-    12    6   12 1   
-@<TRIPOS>SUBSTRUCTURE
-     1 LIG         1 TEMP              0 ****  ****    0 ROOT
diff --git a/Tests/ChemSharp.Tests/files/benzene_3d.mol b/Tests/ChemSharp.Tests/files/benzene_3d.mol
deleted file mode 100644
index 9365fc6..0000000
--- a/Tests/ChemSharp.Tests/files/benzene_3d.mol
+++ /dev/null
@@ -1,60 +0,0 @@
-241
-  Marvin  12300703363D          
-
- 12 12  0  0  0  0            999 V2000
-   -0.7040   -1.2194   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.7040   -1.2194   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.4081   -0.0000   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.4081    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.7040    1.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.7040    1.2194   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.2152   -2.1048   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
-    1.2152   -2.1048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.4304   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
-    2.4304    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.2152    2.1048   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
-    1.2152    2.1048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  2  0  0  0  0
-  1  3  1  0  0  0  0
-  1  7  1  0  0  0  0
-  2  4  1  0  0  0  0
-  2  8  1  0  0  0  0
-  3  5  2  0  0  0  0
-  3  9  1  0  0  0  0
-  4  6  2  0  0  0  0
-  4 10  1  0  0  0  0
-  5  6  1  0  0  0  0
-  5 11  1  0  0  0  0
-  6 12  1  0  0  0  0
-M  END
-
-> <PUBCHEM_BONDANNOTATIONS>
-1  2  8
-1  3  8
-2  4  8
-3  5  8
-4  6  8
-5  6  8
-
-> <StdInChI>
-InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
-
-> <StdInChIKey>
-UHOVQNZJYSORNB-UHFFFAOYSA-N
-
-> <AuxInfo>
-1/0/N:1,2,3,4,5,6/E:(1,2,3,4,5,6)/rA:12nCCCCCCHHHHHH/rB:d1;s1;s2;d3;d4s5;s1;s2;s3;s4;s5;s6;/rC:-.704,-1.2194,0;.704,-1.2194,0;-1.4081,0,0;1.4081,0,0;-.704,1.2194,0;.704,1.2194,0;-1.2152,-2.1048,0;1.2152,-2.1048,0;-2.4304,0,0;2.4304,0,0;-1.2152,2.1048,0;1.2152,2.1048,0;
-
-> <Formula>
-C6 H6
-
-> <Mw>
-78.11184
-
-> <SMILES>
-C1([H])C([H])=C([H])C([H])=C([H])C=1[H]
-
-> <CSID>
-236
-
-$$$$
diff --git a/Tests/ChemSharp.Tests/files/benzene_arom.mol b/Tests/ChemSharp.Tests/files/benzene_arom.mol
deleted file mode 100644
index ee6ccfa..0000000
--- a/Tests/ChemSharp.Tests/files/benzene_arom.mol
+++ /dev/null
@@ -1,60 +0,0 @@
-241
-  Marvin  12300703363D          
-
- 12 12  0  0  0  0            999 V2000
-   -0.7040   -1.2194   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.7040   -1.2194   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.4081   -0.0000   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.4081    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.7040    1.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.7040    1.2194   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.2152   -2.1048   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
-    1.2152   -2.1048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.4304   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
-    2.4304    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.2152    2.1048   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
-    1.2152    2.1048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  4  0  0  0  0
-  1  3  4  0  0  0  0
-  1  7  1  0  0  0  0
-  2  4  4  0  0  0  0
-  2  8  1  0  0  0  0
-  3  5  4  0  0  0  0
-  3  9  1  0  0  0  0
-  4  6  4  0  0  0  0
-  4 10  1  0  0  0  0
-  5  6  4  0  0  0  0
-  5 11  1  0  0  0  0
-  6 12  1  0  0  0  0
-M  END
-
-> <PUBCHEM_BONDANNOTATIONS>
-1  2  8
-1  3  8
-2  4  8
-3  5  8
-4  6  8
-5  6  8
-
-> <StdInChI>
-InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
-
-> <StdInChIKey>
-UHOVQNZJYSORNB-UHFFFAOYSA-N
-
-> <AuxInfo>
-1/0/N:1,2,3,4,5,6/E:(1,2,3,4,5,6)/rA:12nCCCCCCHHHHHH/rB:d1;s1;s2;d3;d4s5;s1;s2;s3;s4;s5;s6;/rC:-.704,-1.2194,0;.704,-1.2194,0;-1.4081,0,0;1.4081,0,0;-.704,1.2194,0;.704,1.2194,0;-1.2152,-2.1048,0;1.2152,-2.1048,0;-2.4304,0,0;2.4304,0,0;-1.2152,2.1048,0;1.2152,2.1048,0;
-
-> <Formula>
-C6 H6
-
-> <Mw>
-78.11184
-
-> <SMILES>
-C1([H])C([H])=C([H])C([H])=C([H])C=1[H]
-
-> <CSID>
-236
-
-$$$$
diff --git a/Tests/ChemSharp.Tests/files/cif.cif b/Tests/ChemSharp.Tests/files/cif.cif
deleted file mode 100644
index 55bc2a5..0000000
--- a/Tests/ChemSharp.Tests/files/cif.cif
+++ /dev/null
@@ -1,34915 +0,0 @@
-####################################################################### 
-# 
-# This file contains crystal structure data downloaded from the 
-# Cambridge Structural Database (CSD) hosted by the Cambridge 
-# Crystallographic Data Centre (CCDC).
-# 
-# Full information about CCDC data access policies and citation 
-# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
-# 
-# Audit and citation data items may have been added by the CCDC. 
-# Please retain this information to preserve the provenance of 
-# this file and to allow appropriate attribution of the data. 
-# 
-#######################################################################
-
-data_shelx
-_audit_block_doi                 10.5517/ccdc.csd.cc1nvjpq
-_database_code_depnum_ccdc_archive 'CCDC 1544844'
-loop_
-_citation_id
-_citation_doi
-_citation_year
-1 10.1002/chem.201703721 2017
-_audit_update_record             
-;
-2017-08-08 deposited with the CCDC.	2020-04-02 downloaded from the CCDC.
-;
-
-_audit_creation_method           SHELXL-2014/7
-_shelx_SHELXL_version_number     2014/7
-_chemical_name_systematic        ?
-_chemical_name_common            ?
-_chemical_melting_point          ?
-_chemical_formula_moiety         'C40 H29 Cl2 Mo N4 O3'
-_chemical_formula_sum            'C40 H29 Cl2 Mo N4 O3'
-
-_chemical_formula_weight         780.51
-
-loop_
-_atom_type_symbol
-_atom_type_description
-_atom_type_scat_dispersion_real
-_atom_type_scat_dispersion_imag
-_atom_type_scat_source
-C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
-H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
-N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
-O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
-Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
-Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
-
-_space_group_crystal_system      triclinic
-_space_group_IT_number           2
-_space_group_name_H-M_alt        'P -1'
-_space_group_name_Hall           '-P 1'
-
-_shelx_space_group_comment       
-;
-The symmetry employed for this shelxl refinement is uniquely defined
-by the following loop, which should always be used as a source of
-symmetry information in preference to the above space-group names.
-They are only intended as comments.
-;
-
-loop_
-_space_group_symop_operation_xyz
-'x, y, z'
-'-x, -y, -z'
-
-_cell_length_a                   8.1707(5)
-_cell_length_b                   15.1621(7)
-_cell_length_c                   16.4378(9)
-_cell_angle_alpha                66.783(5)
-_cell_angle_beta                 87.110(5)
-_cell_angle_gamma                88.224(4)
-_cell_volume                     1868.97(19)
-_cell_formula_units_Z            2
-_cell_measurement_temperature    100(2)
-_cell_measurement_reflns_used    9303
-_cell_measurement_theta_min      2.4960
-_cell_measurement_theta_max      30.1260
-
-_exptl_crystal_description       block
-_exptl_crystal_colour            black
-_exptl_crystal_density_meas      ?
-_exptl_crystal_density_method    ?
-_exptl_crystal_density_diffrn    1.387
-_exptl_crystal_F_000             794
-_exptl_transmission_factor_min   ?
-_exptl_transmission_factor_max   ?
-_exptl_crystal_size_max          0.2400
-_exptl_crystal_size_mid          0.1200
-_exptl_crystal_size_min          0.1000
-_exptl_absorpt_coefficient_mu    0.536
-_shelx_estimated_absorpt_T_min   ?
-_shelx_estimated_absorpt_T_max   ?
-_exptl_absorpt_correction_type   multi-scan
-_exptl_absorpt_correction_T_min  0.99151
-_exptl_absorpt_correction_T_max  1.00000
-_exptl_absorpt_process_details   
-;
-CrysAlisPro, Agilent Technologies,
-Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
-(compiled Feb  1 2013,16:14:44)
-Empirical absorption correction using spherical harmonics,
- implemented in SCALE3 ABSPACK scaling algorithm.
-;
-_exptl_absorpt_special_details   ?
-_diffrn_ambient_temperature      100(2)
-_diffrn_radiation_wavelength     0.71073
-_diffrn_radiation_type           MoK\a
-_diffrn_source                   'Enhance (Mo) X-ray Source'
-_diffrn_measurement_device_type  'Xcalibur, Eos'
-_diffrn_measurement_method       '\w scans'
-_diffrn_detector_area_resol_mean 16.1419
-_diffrn_reflns_number            33674
-_diffrn_reflns_av_unetI/netI     0.0374
-_diffrn_reflns_av_R_equivalents  0.0374
-_diffrn_reflns_limit_h_min       -10
-_diffrn_reflns_limit_h_max       10
-_diffrn_reflns_limit_k_min       -19
-_diffrn_reflns_limit_k_max       19
-_diffrn_reflns_limit_l_min       -20
-_diffrn_reflns_limit_l_max       20
-_diffrn_reflns_theta_min         2.347
-_diffrn_reflns_theta_max         26.999
-_diffrn_reflns_theta_full        25.242
-_diffrn_measured_fraction_theta_max 1.000
-_diffrn_measured_fraction_theta_full 1.000
-_diffrn_reflns_Laue_measured_fraction_max 1.000
-_diffrn_reflns_Laue_measured_fraction_full 1.000
-_diffrn_reflns_point_group_measured_fraction_max 1.000
-_diffrn_reflns_point_group_measured_fraction_full 1.000
-_reflns_number_total             8161
-_reflns_number_gt                6944
-_reflns_threshold_expression     'I > 2\s(I)'
-_reflns_Friedel_coverage         0.000
-_reflns_Friedel_fraction_max     .
-_reflns_Friedel_fraction_full    .
-
-_reflns_special_details          
-;
- Reflections were merged by SHELXL according to the crystal
- class for the calculation of statistics and refinement.
- 
- _reflns_Friedel_fraction is defined as the number of unique
- Friedel pairs measured divided by the number that would be
- possible theoretically, ignoring centric projections and
- systematic absences.
-;
-
-_computing_data_collection       
-;
- CrysAlisPro, Oxford Diffraction Ltd.,
- Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
- (compiled Oct 25 2010,18:11:34)
-;
-_computing_cell_refinement       
-;
- CrysAlisPro, Oxford Diffraction Ltd.,
- Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
- (compiled Oct 25 2010,18:11:34)
-;
-_computing_data_reduction        
-;
- CrysAlisPro, Oxford Diffraction Ltd.,
- Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
- (compiled Oct 25 2010,18:11:34)
-;
-_computing_structure_solution    
-;
-SIR-2011 v1.0 (M. C. Burla, R. Caliandro, M. Camalli, B. Carrozzini,
-G. L. Cascarano, C. Giacovazzo, M. Mallamo, A. Mazzone, G. Polidori
-and R. Spagna, J. Appl. Cryst. (2012), 45, 357-361.)
-;
-_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
-_computing_molecular_graphics    
-;
- ORTEP3 for Windows (L. J. Farrugia, J. Appl. Crystallogr. 1997, 30, 565.)
-;
-_computing_publication_material  
-;
- WinGX v1.80.05 (L. J. Farrugia, J. Appl. Cryst., 1999, 32, 837-838.)
-;
-_platon_squeeze_details          
-;
- PLATON, A Multipurpose Crystallographic Tool, Utrecht University, Utrecht, 
- The Netherlands, A. L. Spek, 1998. 
-
- SQUEEZE - P. v.d. Sluis and A. L. Spek, Acta Crystallogr., 
- Sect A 1990, 46, 194-201.
-;
-_refine_special_details          
-;No appropriate model could be established for cocrystallised solvent molecules;
- the data were processed using the SQUEEZE/PLATON program (Spek, A. L. (1998) 
- PLATON, A Multipurpose Crystallographic Tool, Utrecht University, Utrecht, 
- The Netherlands.)
- A disordered phenyl group was refined using a split atom model (0.66(2) SOF
- of main component). A methoxyphenyl group was refined using a split atom
- model (0.69(1) SOF of main component), applaying restraints with a SAME command.
- Furthermore a ISOR command was set to the C40 c40a atoms.
- All H atoms were refined using a riding model, with a common U restrained
- to be 1.2 (1.5 for methyl groups) times the equivalent isotropic displacement
- parameter of the parent atom. Methyl groups were treated as a rigid bodies and
- allowed to rotate about the E-CH3 bond.
- Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
- goodness of fit S are based on F^2^, conventional R-factors R are based
- on F, with F set to zero for negative F^2^. The threshold expression of
- F^2^ > 2\s(F^2^) is used only for calculating R-factors(gt) etc. and is
- not relevant to the choice of reflections for refinement.  R-factors based
- on F^2^ are statistically about twice as large as those based on F, and R-
- factors based on ALL data will be even larger.,SQUEEZE
-;
-_refine_ls_structure_factor_coef Fsqd
-_refine_ls_matrix_type           full
-_refine_ls_weighting_scheme      calc
-_refine_ls_weighting_details     
-'w=1/[\s^2^(Fo^2^)+(0.0328P)^2^+1.1172P] where P=(Fo^2^+2Fc^2^)/3'
-_atom_sites_solution_primary     ?
-_atom_sites_solution_secondary   ?
-_atom_sites_solution_hydrogens   geom
-_refine_ls_hydrogen_treatment    constr
-_refine_ls_extinction_method     none
-_refine_ls_extinction_coef       .
-_refine_ls_number_reflns         8161
-_refine_ls_number_parameters     558
-_refine_ls_number_restraints     29
-_refine_ls_R_factor_all          0.0427
-_refine_ls_R_factor_gt           0.0333
-_refine_ls_wR_factor_ref         0.0783
-_refine_ls_wR_factor_gt          0.0743
-_refine_ls_goodness_of_fit_ref   1.028
-_refine_ls_restrained_S_all      1.038
-_refine_ls_shift/su_max          0.011
-_refine_ls_shift/su_mean         0.000
-
-loop_
-_atom_site_label
-_atom_site_type_symbol
-_atom_site_fract_x
-_atom_site_fract_y
-_atom_site_fract_z
-_atom_site_U_iso_or_equiv
-_atom_site_adp_type
-_atom_site_occupancy
-_atom_site_site_symmetry_order
-_atom_site_calc_flag
-_atom_site_refinement_flags_posn
-_atom_site_refinement_flags_adp
-_atom_site_refinement_flags_occupancy
-_atom_site_disorder_assembly
-_atom_site_disorder_group
-C1 C 0.4236(3) 0.43592(18) 0.38263(16) 0.0295(5) Uani 1 1 d . . . . .
-C2 C 0.3542(3) 0.51241(19) 0.40267(17) 0.0355(6) Uani 1 1 d . . . . .
-H2 H 0.2467 0.5147 0.4267 0.043 Uiso 1 1 calc R U . . .
-C3 C 0.4691(3) 0.58156(18) 0.38137(16) 0.0309(5) Uani 1 1 d . . . . .
-H3 H 0.4567 0.6405 0.3888 0.037 Uiso 1 1 calc R U . . .
-C4 C 0.6126(3) 0.55027(16) 0.34577(15) 0.0253(5) Uani 1 1 d . . . . .
-C5 C 0.7552(3) 0.59732(16) 0.30569(15) 0.0251(5) Uani 1 1 d . . . . .
-C6 C 0.8707(3) 0.55754(16) 0.26201(15) 0.0246(5) Uani 1 1 d . . . . .
-C7 C 1.0097(3) 0.60476(17) 0.20913(16) 0.0286(5) Uani 1 1 d . . . . .
-H7 H 1.0469 0.6665 0.2011 0.034 Uiso 1 1 calc R U . . .
-C8 C 1.0803(3) 0.54627(17) 0.17197(15) 0.0270(5) Uani 1 1 d . . . . .
-H8 H 1.1747 0.5603 0.1331 0.032 Uiso 1 1 calc R U . . .
-C9 C 0.9884(2) 0.46097(16) 0.20144(14) 0.0218(4) Uani 1 1 d . . . . .
-C10 C 1.0110(2) 0.38494(15) 0.17405(13) 0.0206(4) Uani 1 1 d . . . . .
-C11 C 0.9024(2) 0.30912(15) 0.19603(14) 0.0222(4) Uani 1 1 d . . . . .
-C12 C 0.9137(3) 0.23229(16) 0.16705(16) 0.0291(5) Uani 1 1 d . . . . .
-H12 H 0.9986 0.2223 0.1298 0.035 Uiso 1 1 calc R U . . .
-C13 C 0.7814(3) 0.17563(17) 0.20213(16) 0.0320(5) Uani 1 1 d . . . . .
-H13 H 0.7568 0.1193 0.1933 0.038 Uiso 1 1 calc R U . . .
-C14 C 0.6862(3) 0.21536(16) 0.25432(15) 0.0265(5) Uani 1 1 d . . . . .
-C15 C 0.5393(3) 0.17726(18) 0.30195(17) 0.0335(6) Uani 1 1 d . . . . .
-C16 C 0.4499(3) 0.22262(18) 0.34767(18) 0.0335(6) Uani 1 1 d . . . . .
-C17 C 0.2834(3) 0.2120(2) 0.3804(2) 0.0478(8) Uani 1 1 d . . . . .
-H17 H 0.2136 0.1607 0.3862 0.057 Uiso 1 1 calc R U . . .
-C18 C 0.2414(3) 0.2882(2) 0.4022(2) 0.0472(8) Uani 1 1 d . . . . .
-H18 H 0.1373 0.2998 0.4248 0.057 Uiso 1 1 calc R U . . .
-C19 C 0.3806(3) 0.34646(19) 0.38508(17) 0.0326(6) Uani 1 1 d . . . . .
-C20 C 0.7871(3) 0.69416(17) 0.30427(16) 0.0279(5) Uani 1 1 d . . . . .
-C23 C 0.8562(3) 0.87378(17) 0.30403(17) 0.0359(6) Uani 1 1 d . . . . .
-C21 C 0.7715(7) 0.7778(3) 0.2278(3) 0.0452(11) Uani 0.713(4) 1 d . . P A 1
-H21 H 0.7396 0.7732 0.1748 0.054 Uiso 0.713(4) 1 calc R U P A 1
-C22 C 0.8013(7) 0.8665(3) 0.2277(3) 0.0465(12) Uani 0.713(4) 1 d . . P A 1
-H22 H 0.7848 0.9228 0.1760 0.056 Uiso 0.713(4) 1 calc R U P A 1
-C24 C 0.8714(9) 0.7940(4) 0.3771(4) 0.0667(19) Uani 0.713(4) 1 d . . P A 1
-H24 H 0.9089 0.7979 0.4293 0.080 Uiso 0.713(4) 1 calc R U P A 1
-C25 C 0.8331(8) 0.7052(3) 0.3774(3) 0.0580(15) Uani 0.713(4) 1 d . . P A 1
-H25 H 0.8395 0.6500 0.4312 0.070 Uiso 0.713(4) 1 calc R U P A 1
-C21A C 0.6963(11) 0.7715(7) 0.2595(7) 0.025(2) Uani 0.287(4) 1 d . . P A 2
-H21A H 0.6085 0.7657 0.2262 0.030 Uiso 0.287(4) 1 calc R U P A 2
-C22A C 0.7289(14) 0.8606(8) 0.2609(7) 0.034(2) Uani 0.287(4) 1 d . . P A 2
-H22A H 0.6594 0.9137 0.2307 0.041 Uiso 0.287(4) 1 calc R U P A 2
-C24A C 0.9565(13) 0.7915(9) 0.3538(8) 0.032(3) Uani 0.287(4) 1 d . . P A 2
-H24A H 1.0435 0.7979 0.3872 0.038 Uiso 0.287(4) 1 calc R U P A 2
-C25A C 0.9241(11) 0.7042(7) 0.3520(6) 0.0230(19) Uani 0.287(4) 1 d . . P A 2
-H25A H 0.9919 0.6502 0.3821 0.028 Uiso 0.287(4) 1 calc R U P A 2
-C26 C 0.9541(5) 0.9754(2) 0.3703(2) 0.0650(10) Uani 1 1 d . . . . .
-H26A H 0.8798 0.9493 0.4227 0.098 Uiso 1 1 calc R U . . .
-H26B H 0.9714 1.0437 0.3558 0.098 Uiso 1 1 calc R U . . .
-H26C H 1.0594 0.9409 0.3826 0.098 Uiso 1 1 calc R U . . .
-C27 C 1.1542(2) 0.38750(15) 0.11263(14) 0.0219(4) Uani 1 1 d . . . . .
-C28 C 1.1273(3) 0.39213(16) 0.02873(14) 0.0235(5) Uani 1 1 d . . . . .
-H28 H 1.0182 0.3975 0.0098 0.028 Uiso 1 1 calc R U . . .
-C29 C 1.2565(3) 0.38917(16) -0.02872(15) 0.0258(5) Uani 1 1 d . . . . .
-H29 H 1.2359 0.3929 -0.0864 0.031 Uiso 1 1 calc R U . . .
-C30 C 1.4158(3) 0.38073(17) -0.00067(15) 0.0268(5) Uani 1 1 d . . . . .
-C31 C 1.4454(3) 0.37895(19) 0.08228(16) 0.0319(5) Uani 1 1 d . . . . .
-H31 H 1.5548 0.3753 0.1006 0.038 Uiso 1 1 calc R U . . .
-C32 C 1.3152(3) 0.38244(18) 0.13860(15) 0.0288(5) Uani 1 1 d . . . . .
-H32 H 1.3361 0.3814 0.1953 0.035 Uiso 1 1 calc R U . . .
-C34 C 0.4866(6) 0.0808(4) 0.3064(4) 0.0287(11) Uani 0.713(4) 1 d D . P A 1
-C35 C 0.4234(8) 0.0749(4) 0.2337(4) 0.0701(17) Uani 0.713(4) 1 d D . P A 1
-H35 H 0.4110 0.1318 0.1819 0.084 Uiso 0.713(4) 1 calc R U P A 1
-C36 C 0.3761(10) -0.0128(4) 0.2333(4) 0.087(3) Uani 0.713(4) 1 d D . P A 1
-H36 H 0.3345 -0.0160 0.1816 0.105 Uiso 0.713(4) 1 calc R U P A 1
-C37 C 0.3913(7) -0.0944(3) 0.3094(4) 0.0457(13) Uani 0.713(4) 1 d D . P A 1
-C38 C 0.4549(5) -0.0903(3) 0.3828(3) 0.0364(9) Uani 0.713(4) 1 d D . P A 1
-H38 H 0.4668 -0.1472 0.4346 0.044 Uiso 0.713(4) 1 calc R U P A 1
-C39 C 0.5021(5) -0.0029(3) 0.3816(3) 0.0339(9) Uani 0.713(4) 1 d D . P A 1
-H39 H 0.5457 -0.0002 0.4331 0.041 Uiso 0.713(4) 1 calc R U P A 1
-O3 O 0.3495(4) -0.1853(2) 0.3176(2) 0.0613(10) Uani 0.713(4) 1 d D . P A 1
-C40 C 0.2647(9) -0.1992(5) 0.2588(6) 0.095(3) Uani 0.713(4) 1 d D U P A 1
-H40A H 0.1779 -0.2454 0.2888 0.143 Uiso 0.713(4) 1 calc R U P A 1
-H40B H 0.3368 -0.2243 0.2233 0.143 Uiso 0.713(4) 1 calc R U P A 1
-H40C H 0.2155 -0.1382 0.2200 0.143 Uiso 0.713(4) 1 calc R U P A 1
-C34A C 0.4425(14) 0.1075(8) 0.2758(7) 0.026(3) Uani 0.287(4) 1 d D . P A 2
-C35A C 0.363(2) 0.1223(8) 0.2009(9) 0.085(6) Uani 0.287(4) 1 d D . P A 2
-H35A H 0.3546 0.1858 0.1572 0.101 Uiso 0.287(4) 1 calc R U P A 2
-C36A C 0.2912(19) 0.0472(7) 0.1854(9) 0.089(6) Uani 0.287(4) 1 d D . P A 2
-H36A H 0.2388 0.0582 0.1319 0.107 Uiso 0.287(4) 1 calc R U P A 2
-C37A C 0.3011(12) -0.0418(7) 0.2511(7) 0.037(3) Uani 0.287(4) 1 d D . P A 2
-C38A C 0.378(2) -0.0591(9) 0.3255(10) 0.070(5) Uani 0.287(4) 1 d D . P A 2
-H38A H 0.3853 -0.1226 0.3693 0.084 Uiso 0.287(4) 1 calc R U P A 2
-C39A C 0.448(2) 0.0177(8) 0.3385(8) 0.072(5) Uani 0.287(4) 1 d D . P A 2
-H39A H 0.4998 0.0060 0.3923 0.087 Uiso 0.287(4) 1 calc R U P A 2
-O3A O 0.2314(11) -0.1140(5) 0.2307(6) 0.068(3) Uani 0.287(4) 1 d D . P A 2
-C40A C 0.330(2) -0.1851(13) 0.2251(18) 0.095(3) Uani 0.287(4) 1 d D U P A 2
-H40D H 0.3994 -0.1597 0.1706 0.143 Uiso 0.287(4) 1 calc R U P A 2
-H40E H 0.2629 -0.2370 0.2241 0.143 Uiso 0.287(4) 1 calc R U P A 2
-H40F H 0.3995 -0.2098 0.2765 0.143 Uiso 0.287(4) 1 calc R U P A 2
-N1 N 0.5806(2) 0.45950(13) 0.34861(12) 0.0244(4) Uani 1 1 d . . . . .
-N2 N 0.8597(2) 0.46777(13) 0.25816(12) 0.0219(4) Uani 1 1 d . . . . .
-N3 N 0.7605(2) 0.29801(13) 0.25065(12) 0.0218(4) Uani 1 1 d . . . . .
-N4 N 0.5079(2) 0.30445(14) 0.35437(13) 0.0270(4) Uani 1 1 d . . . . .
-O1 O 0.8848(3) 0.96426(12) 0.29813(13) 0.0489(5) Uani 1 1 d . . . . .
-Cl1 Cl 0.86465(7) 0.38557(5) 0.45999(4) 0.03376(14) Uani 1 1 d . . . . .
-Cl2 Cl 0.82817(7) 0.19393(4) 0.43661(4) 0.03316(14) Uani 1 1 d . . . . .
-Mo1 Mo 0.73809(2) 0.35157(2) 0.34911(2) 0.02014(6) Uani 1 1 d . . . . .
-O2 O 1.55057(19) 0.37293(14) -0.05083(11) 0.0371(4) Uani 1 1 d . . . . .
-C33 C 1.5184(3) 0.3739(3) -0.1356(2) 0.0545(9) Uani 1 1 d . . . . .
-H33A H 1.4420 0.3226 -0.1285 0.082 Uiso 1 1 calc R U . . .
-H33B H 1.6212 0.3638 -0.1644 0.082 Uiso 1 1 calc R U . . .
-H33C H 1.4700 0.4360 -0.1723 0.082 Uiso 1 1 calc R U . . .
-
-loop_
-_atom_site_aniso_label
-_atom_site_aniso_U_11
-_atom_site_aniso_U_22
-_atom_site_aniso_U_33
-_atom_site_aniso_U_23
-_atom_site_aniso_U_13
-_atom_site_aniso_U_12
-C1 0.0161(10) 0.0449(14) 0.0362(14) -0.0257(12) 0.0021(9) 0.0002(9)
-C2 0.0226(11) 0.0536(16) 0.0410(15) -0.0309(13) 0.0031(10) 0.0066(10)
-C3 0.0298(12) 0.0412(14) 0.0312(13) -0.0250(11) -0.0019(10) 0.0089(10)
-C4 0.0246(11) 0.0325(12) 0.0254(12) -0.0184(10) -0.0039(9) 0.0061(9)
-C5 0.0271(11) 0.0295(12) 0.0237(12) -0.0156(10) -0.0059(9) 0.0035(9)
-C6 0.0245(11) 0.0300(12) 0.0241(12) -0.0158(10) -0.0017(9) -0.0009(9)
-C7 0.0273(11) 0.0327(13) 0.0313(13) -0.0181(11) 0.0003(9) -0.0089(9)
-C8 0.0198(10) 0.0368(13) 0.0272(12) -0.0154(10) 0.0016(9) -0.0053(9)
-C9 0.0183(10) 0.0299(12) 0.0196(11) -0.0124(9) 0.0002(8) -0.0002(8)
-C10 0.0185(10) 0.0277(11) 0.0142(10) -0.0072(9) 0.0002(8) 0.0032(8)
-C11 0.0226(10) 0.0237(11) 0.0197(11) -0.0085(9) 0.0021(8) 0.0027(8)
-C12 0.0349(12) 0.0256(12) 0.0278(13) -0.0130(10) 0.0085(10) 0.0022(9)
-C13 0.0401(13) 0.0250(12) 0.0341(14) -0.0160(11) 0.0077(11) -0.0022(10)
-C14 0.0276(11) 0.0257(12) 0.0283(13) -0.0132(10) 0.0031(9) -0.0015(9)
-C15 0.0310(12) 0.0361(14) 0.0391(15) -0.0213(12) 0.0079(10) -0.0086(10)
-C16 0.0242(11) 0.0416(14) 0.0425(15) -0.0255(12) 0.0084(10) -0.0103(10)
-C17 0.0285(13) 0.0635(19) 0.068(2) -0.0446(17) 0.0191(13) -0.0202(12)
-C18 0.0208(12) 0.068(2) 0.070(2) -0.0475(17) 0.0154(12) -0.0139(12)
-C19 0.0191(11) 0.0473(15) 0.0406(15) -0.0282(12) 0.0072(10) -0.0014(10)
-C20 0.0319(12) 0.0293(12) 0.0271(13) -0.0159(10) -0.0028(9) 0.0024(9)
-C23 0.0538(16) 0.0253(13) 0.0323(14) -0.0149(11) -0.0077(12) 0.0035(11)
-C21 0.070(3) 0.039(2) 0.032(3) -0.019(2) -0.015(2) -0.006(2)
-C22 0.076(4) 0.032(2) 0.030(3) -0.008(2) -0.019(2) 0.000(2)
-C24 0.142(6) 0.030(2) 0.037(3) -0.018(2) -0.042(4) 0.006(4)
-C25 0.116(5) 0.027(2) 0.033(3) -0.0115(19) -0.030(3) 0.002(3)
-C21A 0.022(4) 0.034(5) 0.022(5) -0.016(4) -0.006(3) 0.009(4)
-C22A 0.049(6) 0.027(5) 0.025(6) -0.010(4) 0.000(4) 0.012(4)
-C24A 0.034(5) 0.038(6) 0.029(6) -0.019(4) -0.005(4) 0.011(4)
-C25A 0.027(4) 0.025(4) 0.024(5) -0.018(4) -0.001(3) 0.006(3)
-C26 0.120(3) 0.0333(16) 0.053(2) -0.0251(15) -0.034(2) 0.0028(17)
-C27 0.0222(10) 0.0245(11) 0.0194(11) -0.0097(9) 0.0031(8) 0.0006(8)
-C28 0.0207(10) 0.0301(12) 0.0203(11) -0.0109(9) -0.0007(8) 0.0013(8)
-C29 0.0253(11) 0.0360(13) 0.0190(11) -0.0139(10) 0.0014(9) -0.0033(9)
-C30 0.0218(11) 0.0369(13) 0.0250(12) -0.0165(10) 0.0064(9) -0.0015(9)
-C31 0.0211(11) 0.0513(16) 0.0268(13) -0.0194(12) -0.0025(9) 0.0036(10)
-C32 0.0235(11) 0.0463(15) 0.0184(11) -0.0150(10) -0.0011(9) 0.0023(10)
-C34 0.023(2) 0.026(3) 0.041(3) -0.017(2) -0.0019(19) -0.0017(18)
-C35 0.117(5) 0.027(3) 0.066(4) -0.014(3) -0.053(3) 0.000(3)
-C36 0.148(7) 0.040(3) 0.077(5) -0.019(3) -0.066(5) -0.012(4)
-C37 0.057(3) 0.028(3) 0.059(3) -0.022(2) -0.018(2) -0.003(2)
-C38 0.040(2) 0.033(2) 0.034(2) -0.0112(16) 0.0071(17) -0.0085(15)
-C39 0.042(2) 0.033(2) 0.027(2) -0.0117(17) 0.0059(17) -0.0129(16)
-O3 0.086(2) 0.0336(16) 0.073(2) -0.0270(15) -0.0303(18) -0.0044(15)
-C40 0.100(5) 0.049(3) 0.154(6) -0.052(4) -0.046(4) -0.012(3)
-C34A 0.024(6) 0.026(6) 0.025(6) -0.009(5) 0.008(4) 0.003(4)
-C35A 0.145(14) 0.018(6) 0.079(9) 0.004(6) -0.078(10) -0.023(7)
-C36A 0.127(12) 0.032(6) 0.097(11) -0.003(6) -0.075(10) -0.022(7)
-C37A 0.030(5) 0.022(6) 0.055(7) -0.011(5) 0.007(5) -0.006(4)
-C38A 0.109(12) 0.029(8) 0.065(10) -0.005(7) -0.034(9) -0.030(8)
-C39A 0.134(14) 0.043(8) 0.033(7) -0.002(6) -0.044(8) -0.016(8)
-O3A 0.087(6) 0.029(4) 0.089(7) -0.021(4) -0.040(5) -0.001(4)
-C40A 0.100(5) 0.049(3) 0.154(6) -0.052(4) -0.046(4) -0.012(3)
-N1 0.0165(8) 0.0346(11) 0.0275(10) -0.0184(9) 0.0006(7) 0.0016(7)
-N2 0.0194(8) 0.0292(10) 0.0222(10) -0.0158(8) 0.0022(7) -0.0013(7)
-N3 0.0203(8) 0.0237(9) 0.0230(10) -0.0114(8) 0.0036(7) 0.0001(7)
-N4 0.0189(9) 0.0366(11) 0.0324(11) -0.0217(9) 0.0060(8) -0.0039(8)
-O1 0.0815(15) 0.0242(9) 0.0449(12) -0.0158(8) -0.0226(10) 0.0046(9)
-Cl1 0.0359(3) 0.0441(4) 0.0310(3) -0.0251(3) -0.0115(2) 0.0138(3)
-Cl2 0.0361(3) 0.0282(3) 0.0308(3) -0.0064(2) -0.0043(2) -0.0040(2)
-Mo1 0.01474(9) 0.02803(11) 0.02056(10) -0.01306(8) 0.00279(6) -0.00049(6)
-O2 0.0223(8) 0.0663(12) 0.0342(10) -0.0329(9) 0.0086(7) -0.0058(8)
-C33 0.0294(13) 0.111(3) 0.0514(18) -0.0635(19) 0.0181(12) -0.0232(15)
-
-_geom_special_details            
-;
- All esds (except the esd in the dihedral angle between two l.s. planes)
- are estimated using the full covariance matrix.  The cell esds are taken
- into account individually in the estimation of esds in distances, angles
- and torsion angles; correlations between esds in cell parameters are only
- used when they are defined by crystal symmetry.  An approximate (isotropic)
- treatment of cell esds is used for estimating esds involving l.s. planes.
-;
-
-loop_
-_geom_bond_atom_site_label_1
-_geom_bond_atom_site_label_2
-_geom_bond_distance
-_geom_bond_site_symmetry_2
-_geom_bond_publ_flag
-C1 N1 1.373(3) . ?
-C1 C19 1.396(3) . ?
-C1 C2 1.420(3) . ?
-C2 C3 1.357(3) . ?
-C2 H2 0.9500 . ?
-C3 C4 1.434(3) . ?
-C3 H3 0.9500 . ?
-C4 C5 1.380(3) . ?
-C4 N1 1.391(3) . ?
-C5 C6 1.417(3) . ?
-C5 C20 1.490(3) . ?
-C6 N2 1.393(3) . ?
-C6 C7 1.420(3) . ?
-C7 C8 1.361(3) . ?
-C7 H7 0.9500 . ?
-C8 C9 1.415(3) . ?
-C8 H8 0.9500 . ?
-C9 C10 1.398(3) . ?
-C9 N2 1.398(3) . ?
-C10 C11 1.394(3) . ?
-C10 C27 1.497(3) . ?
-C11 N3 1.403(3) . ?
-C11 C12 1.421(3) . ?
-C12 C13 1.358(3) . ?
-C12 H12 0.9500 . ?
-C13 C14 1.419(3) . ?
-C13 H13 0.9500 . ?
-C14 N3 1.388(3) . ?
-C14 C15 1.406(3) . ?
-C15 C16 1.376(3) . ?
-C15 C34 1.510(5) . ?
-C15 C34A 1.540(12) . ?
-C16 N4 1.388(3) . ?
-C16 C17 1.428(3) . ?
-C17 C18 1.368(4) . ?
-C17 H17 0.9500 . ?
-C18 C19 1.410(3) . ?
-C18 H18 0.9500 . ?
-C19 N4 1.379(3) . ?
-C20 C21A 1.337(9) . ?
-C20 C25 1.350(5) . ?
-C20 C21 1.398(5) . ?
-C20 C25A 1.444(10) . ?
-C23 C24 1.335(6) . ?
-C23 C22A 1.349(12) . ?
-C23 O1 1.363(3) . ?
-C23 C22 1.398(5) . ?
-C23 C24A 1.449(12) . ?
-C21 C22 1.374(6) . ?
-C21 H21 0.9500 . ?
-C22 H22 0.9500 . ?
-C24 C25 1.390(7) . ?
-C24 H24 0.9500 . ?
-C25 H25 0.9500 . ?
-C21A C22A 1.394(15) . ?
-C21A H21A 0.9500 . ?
-C22A H22A 0.9500 . ?
-C24A C25A 1.369(16) . ?
-C24A H24A 0.9500 . ?
-C25A H25A 0.9500 . ?
-C26 O1 1.410(3) . ?
-C26 H26A 0.9800 . ?
-C26 H26B 0.9800 . ?
-C26 H26C 0.9800 . ?
-C27 C28 1.381(3) . ?
-C27 C32 1.395(3) . ?
-C28 C29 1.392(3) . ?
-C28 H28 0.9500 . ?
-C29 C30 1.388(3) . ?
-C29 H29 0.9500 . ?
-C30 O2 1.373(2) . ?
-C30 C31 1.387(3) . ?
-C31 C32 1.388(3) . ?
-C31 H31 0.9500 . ?
-C32 H32 0.9500 . ?
-C34 C35 1.361(7) . ?
-C34 C39 1.387(6) . ?
-C35 C36 1.399(6) . ?
-C35 H35 0.9500 . ?
-C36 C37 1.377(8) . ?
-C36 H36 0.9500 . ?
-C37 C38 1.363(7) . ?
-C37 O3 1.382(5) . ?
-C38 C39 1.384(5) . ?
-C38 H38 0.9500 . ?
-C39 H39 0.9500 . ?
-O3 C40 1.302(8) . ?
-C40 H40A 0.9800 . ?
-C40 H40B 0.9800 . ?
-C40 H40C 0.9800 . ?
-C34A C39A 1.347(12) . ?
-C34A C35A 1.359(13) . ?
-C35A C36A 1.410(11) . ?
-C35A H35A 0.9500 . ?
-C36A C37A 1.360(13) . ?
-C36A H36A 0.9500 . ?
-C37A C38A 1.331(15) . ?
-C37A O3A 1.409(10) . ?
-C38A C39A 1.407(13) . ?
-C38A H38A 0.9500 . ?
-C39A H39A 0.9500 . ?
-O3A C40A 1.355(16) . ?
-C40A H40D 0.9800 . ?
-C40A H40E 0.9800 . ?
-C40A H40F 0.9800 . ?
-N1 Mo1 2.0480(18) . ?
-N2 Mo1 2.0514(18) . ?
-N3 Mo1 2.0760(18) . ?
-N4 Mo1 2.0183(18) . ?
-Cl1 Mo1 2.3708(6) . ?
-Cl2 Mo1 2.3687(6) . ?
-O2 C33 1.426(3) . ?
-C33 H33A 0.9800 . ?
-C33 H33B 0.9800 . ?
-C33 H33C 0.9800 . ?
-
-loop_
-_geom_angle_atom_site_label_1
-_geom_angle_atom_site_label_2
-_geom_angle_atom_site_label_3
-_geom_angle
-_geom_angle_site_symmetry_1
-_geom_angle_site_symmetry_3
-_geom_angle_publ_flag
-N1 C1 C19 111.38(19) . . ?
-N1 C1 C2 108.8(2) . . ?
-C19 C1 C2 139.8(2) . . ?
-C3 C2 C1 107.7(2) . . ?
-C3 C2 H2 126.2 . . ?
-C1 C2 H2 126.2 . . ?
-C2 C3 C4 108.2(2) . . ?
-C2 C3 H3 125.9 . . ?
-C4 C3 H3 125.9 . . ?
-C5 C4 N1 121.06(19) . . ?
-C5 C4 C3 131.3(2) . . ?
-N1 C4 C3 107.28(19) . . ?
-C4 C5 C6 121.5(2) . . ?
-C4 C5 C20 120.0(2) . . ?
-C6 C5 C20 118.5(2) . . ?
-N2 C6 C5 125.4(2) . . ?
-N2 C6 C7 108.35(19) . . ?
-C5 C6 C7 126.1(2) . . ?
-C8 C7 C6 108.2(2) . . ?
-C8 C7 H7 125.9 . . ?
-C6 C7 H7 125.9 . . ?
-C7 C8 C9 107.98(19) . . ?
-C7 C8 H8 126.0 . . ?
-C9 C8 H8 126.0 . . ?
-C10 C9 N2 124.40(19) . . ?
-C10 C9 C8 126.8(2) . . ?
-N2 C9 C8 108.60(19) . . ?
-C11 C10 C9 123.91(19) . . ?
-C11 C10 C27 117.40(19) . . ?
-C9 C10 C27 118.56(19) . . ?
-C10 C11 N3 124.27(19) . . ?
-C10 C11 C12 126.8(2) . . ?
-N3 C11 C12 108.91(18) . . ?
-C13 C12 C11 107.7(2) . . ?
-C13 C12 H12 126.1 . . ?
-C11 C12 H12 126.1 . . ?
-C12 C13 C14 108.0(2) . . ?
-C12 C13 H13 126.0 . . ?
-C14 C13 H13 126.0 . . ?
-N3 C14 C15 125.3(2) . . ?
-N3 C14 C13 109.27(19) . . ?
-C15 C14 C13 125.4(2) . . ?
-C16 C15 C14 121.9(2) . . ?
-C16 C15 C34 120.2(3) . . ?
-C14 C15 C34 117.8(3) . . ?
-C16 C15 C34A 115.4(5) . . ?
-C14 C15 C34A 118.8(5) . . ?
-C15 C16 N4 121.0(2) . . ?
-C15 C16 C17 131.0(2) . . ?
-N4 C16 C17 107.0(2) . . ?
-C18 C17 C16 108.3(2) . . ?
-C18 C17 H17 125.8 . . ?
-C16 C17 H17 125.8 . . ?
-C17 C18 C19 107.6(2) . . ?
-C17 C18 H18 126.2 . . ?
-C19 C18 H18 126.2 . . ?
-N4 C19 C1 111.70(19) . . ?
-N4 C19 C18 108.6(2) . . ?
-C1 C19 C18 139.4(2) . . ?
-C25 C20 C21 116.7(3) . . ?
-C21A C20 C25A 119.3(6) . . ?
-C21A C20 C5 122.7(5) . . ?
-C25 C20 C5 121.2(3) . . ?
-C21 C20 C5 122.1(3) . . ?
-C25A C20 C5 118.0(4) . . ?
-C24 C23 O1 124.9(3) . . ?
-C22A C23 O1 118.3(5) . . ?
-C24 C23 C22 118.9(3) . . ?
-O1 C23 C22 116.2(3) . . ?
-C22A C23 C24A 118.6(7) . . ?
-O1 C23 C24A 123.1(6) . . ?
-C22 C21 C20 121.3(4) . . ?
-C22 C21 H21 119.3 . . ?
-C20 C21 H21 119.3 . . ?
-C21 C22 C23 119.8(4) . . ?
-C21 C22 H22 120.1 . . ?
-C23 C22 H22 120.1 . . ?
-C23 C24 C25 120.6(4) . . ?
-C23 C24 H24 119.7 . . ?
-C25 C24 H24 119.7 . . ?
-C20 C25 C24 122.6(4) . . ?
-C20 C25 H25 118.7 . . ?
-C24 C25 H25 118.7 . . ?
-C20 C21A C22A 120.9(8) . . ?
-C20 C21A H21A 119.6 . . ?
-C22A C21A H21A 119.6 . . ?
-C23 C22A C21A 122.0(8) . . ?
-C23 C22A H22A 119.0 . . ?
-C21A C22A H22A 119.0 . . ?
-C25A C24A C23 119.0(10) . . ?
-C25A C24A H24A 120.5 . . ?
-C23 C24A H24A 120.5 . . ?
-C24A C25A C20 120.1(8) . . ?
-C24A C25A H25A 119.9 . . ?
-C20 C25A H25A 119.9 . . ?
-O1 C26 H26A 109.5 . . ?
-O1 C26 H26B 109.5 . . ?
-H26A C26 H26B 109.5 . . ?
-O1 C26 H26C 109.5 . . ?
-H26A C26 H26C 109.5 . . ?
-H26B C26 H26C 109.5 . . ?
-C28 C27 C32 118.59(19) . . ?
-C28 C27 C10 119.60(19) . . ?
-C32 C27 C10 121.78(19) . . ?
-C27 C28 C29 121.5(2) . . ?
-C27 C28 H28 119.2 . . ?
-C29 C28 H28 119.2 . . ?
-C30 C29 C28 119.1(2) . . ?
-C30 C29 H29 120.4 . . ?
-C28 C29 H29 120.4 . . ?
-O2 C30 C31 116.4(2) . . ?
-O2 C30 C29 123.5(2) . . ?
-C31 C30 C29 120.1(2) . . ?
-C30 C31 C32 120.0(2) . . ?
-C30 C31 H31 120.0 . . ?
-C32 C31 H31 120.0 . . ?
-C31 C32 C27 120.6(2) . . ?
-C31 C32 H32 119.7 . . ?
-C27 C32 H32 119.7 . . ?
-C35 C34 C39 118.3(4) . . ?
-C35 C34 C15 119.2(5) . . ?
-C39 C34 C15 122.5(4) . . ?
-C34 C35 C36 121.7(5) . . ?
-C34 C35 H35 119.2 . . ?
-C36 C35 H35 119.2 . . ?
-C37 C36 C35 118.6(5) . . ?
-C37 C36 H36 120.7 . . ?
-C35 C36 H36 120.7 . . ?
-C38 C37 C36 120.8(4) . . ?
-C38 C37 O3 114.9(4) . . ?
-C36 C37 O3 124.3(5) . . ?
-C37 C38 C39 119.7(4) . . ?
-C37 C38 H38 120.1 . . ?
-C39 C38 H38 120.1 . . ?
-C38 C39 C34 121.0(4) . . ?
-C38 C39 H39 119.5 . . ?
-C34 C39 H39 119.5 . . ?
-C40 O3 C37 122.0(5) . . ?
-O3 C40 H40A 109.5 . . ?
-O3 C40 H40B 109.5 . . ?
-H40A C40 H40B 109.5 . . ?
-O3 C40 H40C 109.5 . . ?
-H40A C40 H40C 109.5 . . ?
-H40B C40 H40C 109.5 . . ?
-C39A C34A C35A 118.0(10) . . ?
-C39A C34A C15 111.3(9) . . ?
-C35A C34A C15 130.6(9) . . ?
-C34A C35A C36A 122.6(11) . . ?
-C34A C35A H35A 118.7 . . ?
-C36A C35A H35A 118.7 . . ?
-C37A C36A C35A 116.5(10) . . ?
-C37A C36A H36A 121.8 . . ?
-C35A C36A H36A 121.8 . . ?
-C38A C37A C36A 122.6(10) . . ?
-C38A C37A O3A 123.6(9) . . ?
-C36A C37A O3A 113.7(9) . . ?
-C37A C38A C39A 119.2(11) . . ?
-C37A C38A H38A 120.4 . . ?
-C39A C38A H38A 120.4 . . ?
-C34A C39A C38A 121.0(11) . . ?
-C34A C39A H39A 119.5 . . ?
-C38A C39A H39A 119.5 . . ?
-C40A O3A C37A 118.6(11) . . ?
-O3A C40A H40D 109.5 . . ?
-O3A C40A H40E 109.5 . . ?
-H40D C40A H40E 109.5 . . ?
-O3A C40A H40F 109.5 . . ?
-H40D C40A H40F 109.5 . . ?
-H40E C40A H40F 109.5 . . ?
-C1 N1 C4 108.02(18) . . ?
-C1 N1 Mo1 118.38(15) . . ?
-C4 N1 Mo1 130.31(14) . . ?
-C6 N2 C9 106.83(17) . . ?
-C6 N2 Mo1 125.96(14) . . ?
-C9 N2 Mo1 123.86(14) . . ?
-C14 N3 C11 106.07(17) . . ?
-C14 N3 Mo1 124.87(14) . . ?
-C11 N3 Mo1 122.80(14) . . ?
-C19 N4 C16 108.37(18) . . ?
-C19 N4 Mo1 119.20(15) . . ?
-C16 N4 Mo1 131.29(15) . . ?
-C23 O1 C26 118.6(2) . . ?
-N4 Mo1 N1 72.59(7) . . ?
-N4 Mo1 N2 131.69(8) . . ?
-N1 Mo1 N2 80.08(7) . . ?
-N4 Mo1 N3 80.07(7) . . ?
-N1 Mo1 N3 125.12(7) . . ?
-N2 Mo1 N3 84.41(7) . . ?
-N4 Mo1 Cl2 90.59(6) . . ?
-N1 Mo1 Cl2 143.43(6) . . ?
-N2 Mo1 Cl2 131.81(5) . . ?
-N3 Mo1 Cl2 81.42(5) . . ?
-N4 Mo1 Cl1 126.90(6) . . ?
-N1 Mo1 Cl1 83.08(5) . . ?
-N2 Mo1 Cl1 86.95(5) . . ?
-N3 Mo1 Cl1 148.19(5) . . ?
-Cl2 Mo1 Cl1 81.78(2) . . ?
-C30 O2 C33 115.85(18) . . ?
-O2 C33 H33A 109.5 . . ?
-O2 C33 H33B 109.5 . . ?
-H33A C33 H33B 109.5 . . ?
-O2 C33 H33C 109.5 . . ?
-H33A C33 H33C 109.5 . . ?
-H33B C33 H33C 109.5 . . ?
-
-loop_
-_geom_torsion_atom_site_label_1
-_geom_torsion_atom_site_label_2
-_geom_torsion_atom_site_label_3
-_geom_torsion_atom_site_label_4
-_geom_torsion
-_geom_torsion_site_symmetry_1
-_geom_torsion_site_symmetry_2
-_geom_torsion_site_symmetry_3
-_geom_torsion_site_symmetry_4
-_geom_torsion_publ_flag
-N1 C1 C2 C3 -0.4(3) . . . . ?
-C19 C1 C2 C3 -178.5(3) . . . . ?
-C1 C2 C3 C4 1.1(3) . . . . ?
-C2 C3 C4 C5 171.9(2) . . . . ?
-C2 C3 C4 N1 -1.4(3) . . . . ?
-N1 C4 C5 C6 3.3(3) . . . . ?
-C3 C4 C5 C6 -169.3(2) . . . . ?
-N1 C4 C5 C20 -179.5(2) . . . . ?
-C3 C4 C5 C20 8.0(4) . . . . ?
-C4 C5 C6 N2 -3.4(4) . . . . ?
-C20 C5 C6 N2 179.2(2) . . . . ?
-C4 C5 C6 C7 171.2(2) . . . . ?
-C20 C5 C6 C7 -6.1(3) . . . . ?
-N2 C6 C7 C8 1.3(3) . . . . ?
-C5 C6 C7 C8 -174.1(2) . . . . ?
-C6 C7 C8 C9 -0.6(3) . . . . ?
-C7 C8 C9 C10 174.8(2) . . . . ?
-C7 C8 C9 N2 -0.4(3) . . . . ?
-N2 C9 C10 C11 3.8(3) . . . . ?
-C8 C9 C10 C11 -170.6(2) . . . . ?
-N2 C9 C10 C27 179.67(19) . . . . ?
-C8 C9 C10 C27 5.3(3) . . . . ?
-C9 C10 C11 N3 -2.3(3) . . . . ?
-C27 C10 C11 N3 -178.20(19) . . . . ?
-C9 C10 C11 C12 176.7(2) . . . . ?
-C27 C10 C11 C12 0.8(3) . . . . ?
-C10 C11 C12 C13 -178.6(2) . . . . ?
-N3 C11 C12 C13 0.6(3) . . . . ?
-C11 C12 C13 C14 -0.6(3) . . . . ?
-C12 C13 C14 N3 0.5(3) . . . . ?
-C12 C13 C14 C15 -179.8(2) . . . . ?
-N3 C14 C15 C16 2.9(4) . . . . ?
-C13 C14 C15 C16 -176.8(3) . . . . ?
-N3 C14 C15 C34 -173.4(3) . . . . ?
-C13 C14 C15 C34 6.9(4) . . . . ?
-N3 C14 C15 C34A 159.6(5) . . . . ?
-C13 C14 C15 C34A -20.1(6) . . . . ?
-C14 C15 C16 N4 -5.1(4) . . . . ?
-C34 C15 C16 N4 171.1(3) . . . . ?
-C34A C15 C16 N4 -162.5(5) . . . . ?
-C14 C15 C16 C17 161.9(3) . . . . ?
-C34 C15 C16 C17 -21.8(5) . . . . ?
-C34A C15 C16 C17 4.5(6) . . . . ?
-C15 C16 C17 C18 -165.7(3) . . . . ?
-N4 C16 C17 C18 2.7(3) . . . . ?
-C16 C17 C18 C19 -1.0(4) . . . . ?
-N1 C1 C19 N4 1.2(3) . . . . ?
-C2 C1 C19 N4 179.3(3) . . . . ?
-N1 C1 C19 C18 -171.5(3) . . . . ?
-C2 C1 C19 C18 6.7(6) . . . . ?
-C17 C18 C19 N4 -1.0(3) . . . . ?
-C17 C18 C19 C1 171.8(3) . . . . ?
-C4 C5 C20 C21A -66.1(6) . . . . ?
-C6 C5 C20 C21A 111.2(6) . . . . ?
-C4 C5 C20 C25 75.3(4) . . . . ?
-C6 C5 C20 C25 -107.3(4) . . . . ?
-C4 C5 C20 C21 -104.8(4) . . . . ?
-C6 C5 C20 C21 72.5(4) . . . . ?
-C4 C5 C20 C25A 115.2(5) . . . . ?
-C6 C5 C20 C25A -67.4(5) . . . . ?
-C25 C20 C21 C22 -0.2(7) . . . . ?
-C5 C20 C21 C22 180.0(4) . . . . ?
-C20 C21 C22 C23 3.2(8) . . . . ?
-C24 C23 C22 C21 -3.0(8) . . . . ?
-O1 C23 C22 C21 179.2(4) . . . . ?
-O1 C23 C24 C25 177.4(5) . . . . ?
-C22 C23 C24 C25 -0.2(9) . . . . ?
-C21 C20 C25 C24 -3.1(8) . . . . ?
-C5 C20 C25 C24 176.8(5) . . . . ?
-C23 C24 C25 C20 3.3(10) . . . . ?
-C25A C20 C21A C22A -2.3(12) . . . . ?
-C5 C20 C21A C22A 179.1(7) . . . . ?
-O1 C23 C22A C21A 176.4(7) . . . . ?
-C24A C23 C22A C21A -3.1(13) . . . . ?
-C20 C21A C22A C23 2.8(14) . . . . ?
-C22A C23 C24A C25A 3.2(12) . . . . ?
-O1 C23 C24A C25A -176.4(6) . . . . ?
-C23 C24A C25A C20 -2.8(13) . . . . ?
-C21A C20 C25A C24A 2.4(11) . . . . ?
-C5 C20 C25A C24A -178.9(7) . . . . ?
-C11 C10 C27 C28 59.6(3) . . . . ?
-C9 C10 C27 C28 -116.5(2) . . . . ?
-C11 C10 C27 C32 -118.4(2) . . . . ?
-C9 C10 C27 C32 65.4(3) . . . . ?
-C32 C27 C28 C29 1.8(3) . . . . ?
-C10 C27 C28 C29 -176.3(2) . . . . ?
-C27 C28 C29 C30 0.4(3) . . . . ?
-C28 C29 C30 O2 177.0(2) . . . . ?
-C28 C29 C30 C31 -2.4(4) . . . . ?
-O2 C30 C31 C32 -177.3(2) . . . . ?
-C29 C30 C31 C32 2.1(4) . . . . ?
-C30 C31 C32 C27 0.2(4) . . . . ?
-C28 C27 C32 C31 -2.1(4) . . . . ?
-C10 C27 C32 C31 176.0(2) . . . . ?
-C16 C15 C34 C35 108.9(5) . . . . ?
-C14 C15 C34 C35 -74.7(5) . . . . ?
-C16 C15 C34 C39 -72.0(5) . . . . ?
-C14 C15 C34 C39 104.4(5) . . . . ?
-C39 C34 C35 C36 -0.7(9) . . . . ?
-C15 C34 C35 C36 178.5(6) . . . . ?
-C34 C35 C36 C37 1.4(11) . . . . ?
-C35 C36 C37 C38 -1.6(11) . . . . ?
-C35 C36 C37 O3 -179.8(6) . . . . ?
-C36 C37 C38 C39 1.2(8) . . . . ?
-O3 C37 C38 C39 179.5(4) . . . . ?
-C37 C38 C39 C34 -0.4(6) . . . . ?
-C35 C34 C39 C38 0.2(7) . . . . ?
-C15 C34 C39 C38 -178.9(3) . . . . ?
-C38 C37 O3 C40 169.2(6) . . . . ?
-C36 C37 O3 C40 -12.5(10) . . . . ?
-C16 C15 C34A C39A -91.3(11) . . . . ?
-C14 C15 C34A C39A 110.6(10) . . . . ?
-C16 C15 C34A C35A 91.7(14) . . . . ?
-C14 C15 C34A C35A -66.5(15) . . . . ?
-C39A C34A C35A C36A -2(2) . . . . ?
-C15 C34A C35A C36A 174.6(13) . . . . ?
-C34A C35A C36A C37A 2(3) . . . . ?
-C35A C36A C37A C38A -2(2) . . . . ?
-C35A C36A C37A O3A -178.4(14) . . . . ?
-C36A C37A C38A C39A 2(3) . . . . ?
-O3A C37A C38A C39A 178.0(14) . . . . ?
-C35A C34A C39A C38A 2(2) . . . . ?
-C15 C34A C39A C38A -175.3(14) . . . . ?
-C37A C38A C39A C34A -2(3) . . . . ?
-C38A C37A O3A C40A -60(2) . . . . ?
-C36A C37A O3A C40A 116.6(17) . . . . ?
-C19 C1 N1 C4 178.2(2) . . . . ?
-C2 C1 N1 C4 -0.5(3) . . . . ?
-C19 C1 N1 Mo1 -20.2(3) . . . . ?
-C2 C1 N1 Mo1 161.11(16) . . . . ?
-C5 C4 N1 C1 -173.0(2) . . . . ?
-C3 C4 N1 C1 1.2(3) . . . . ?
-C5 C4 N1 Mo1 28.3(3) . . . . ?
-C3 C4 N1 Mo1 -157.50(16) . . . . ?
-C5 C6 N2 C9 173.9(2) . . . . ?
-C7 C6 N2 C9 -1.5(2) . . . . ?
-C5 C6 N2 Mo1 -26.3(3) . . . . ?
-C7 C6 N2 Mo1 158.28(15) . . . . ?
-C10 C9 N2 C6 -174.1(2) . . . . ?
-C8 C9 N2 C6 1.2(2) . . . . ?
-C10 C9 N2 Mo1 25.6(3) . . . . ?
-C8 C9 N2 Mo1 -159.17(15) . . . . ?
-C15 C14 N3 C11 -179.9(2) . . . . ?
-C13 C14 N3 C11 -0.1(2) . . . . ?
-C15 C14 N3 Mo1 27.5(3) . . . . ?
-C13 C14 N3 Mo1 -152.73(16) . . . . ?
-C10 C11 N3 C14 178.9(2) . . . . ?
-C12 C11 N3 C14 -0.3(2) . . . . ?
-C10 C11 N3 Mo1 -27.8(3) . . . . ?
-C12 C11 N3 Mo1 153.05(15) . . . . ?
-C1 C19 N4 C16 -172.2(2) . . . . ?
-C18 C19 N4 C16 2.8(3) . . . . ?
-C1 C19 N4 Mo1 18.6(3) . . . . ?
-C18 C19 N4 Mo1 -166.38(19) . . . . ?
-C15 C16 N4 C19 166.4(2) . . . . ?
-C17 C16 N4 C19 -3.4(3) . . . . ?
-C15 C16 N4 Mo1 -26.2(4) . . . . ?
-C17 C16 N4 Mo1 164.02(19) . . . . ?
-C24 C23 O1 C26 7.9(6) . . . . ?
-C22A C23 O1 C26 149.1(6) . . . . ?
-C22 C23 O1 C26 -174.4(4) . . . . ?
-C24A C23 O1 C26 -31.3(6) . . . . ?
-C31 C30 O2 C33 179.4(2) . . . . ?
-C29 C30 O2 C33 0.0(4) . . . . ?
-
-_refine_diff_density_max         0.502
-_refine_diff_density_min         -0.407
-_refine_diff_density_rms         0.063
-
-_shelx_res_file                  
-;
-
-    shelx.res created by SHELXL-2014/7
-
-TITL ps14bw in P1
-CELL  0.71073   8.1707  15.1621  16.4378   66.783   87.110   88.224
-ZERR     2.00   0.0005   0.0007   0.0009    0.005    0.005    0.004
-LATT   1
-SFAC  C    H    N    O    CL   MO
-UNIT  80 58 8 6 4 2
-MERG   2
-OMIT    -2.00  54.00
-eadp c40 c40a
-isor 0.005  C40 c40a
-FMAP   2
-PLAN   10
-ACTA
-BOND
-BOND   $H
-CONF
-L.S.   4
-TEMP  -173.00
-WGHT    0.032800    1.117200
-FVAR      43.03525   0.71253
-C1    1    0.423601    0.435920    0.382628    11.00000    0.01611    0.04494 =
-         0.03620   -0.02568    0.00212    0.00021
-C2    1    0.354208    0.512406    0.402670    11.00000    0.02256    0.05356 =
-         0.04102   -0.03091    0.00306    0.00662
-AFIX  43
-H2    2    0.246707    0.514748    0.426663    11.00000   -1.20000
-AFIX   0
-C3    1    0.469138    0.581564    0.381373    11.00000    0.02982    0.04121 =
-         0.03122   -0.02503   -0.00190    0.00887
-AFIX  43
-H3    2    0.456704    0.640503    0.388772    11.00000   -1.20000
-AFIX   0
-C4    1    0.612568    0.550272    0.345774    11.00000    0.02456    0.03253 =
-         0.02535   -0.01837   -0.00385    0.00607
-C5    1    0.755233    0.597322    0.305695    11.00000    0.02706    0.02953 =
-         0.02365   -0.01556   -0.00587    0.00349
-C6    1    0.870739    0.557544    0.262006    11.00000    0.02446    0.03001 =
-         0.02414   -0.01581   -0.00168   -0.00090
-C7    1    1.009667    0.604758    0.209125    11.00000    0.02730    0.03274 =
-         0.03133   -0.01814    0.00025   -0.00892
-AFIX  43
-H7    2    1.046874    0.666512    0.201074    11.00000   -1.20000
-AFIX   0
-C8    1    1.080303    0.546268    0.171973    11.00000    0.01977    0.03684 =
-         0.02717   -0.01543    0.00157   -0.00532
-AFIX  43
-H8    2    1.174740    0.560264    0.133085    11.00000   -1.20000
-AFIX   0
-C9    1    0.988375    0.460971    0.201443    11.00000    0.01831    0.02989 =
-         0.01962   -0.01237    0.00016   -0.00017
-C10   1    1.011002    0.384936    0.174052    11.00000    0.01846    0.02773 =
-         0.01422   -0.00723    0.00024    0.00316
-C11   1    0.902392    0.309120    0.196028    11.00000    0.02257    0.02372 =
-         0.01973   -0.00849    0.00210    0.00274
-C12   1    0.913692    0.232294    0.167050    11.00000    0.03486    0.02565 =
-         0.02780   -0.01297    0.00848    0.00225
-AFIX  43
-H12   2    0.998615    0.222348    0.129806    11.00000   -1.20000
-AFIX   0
-C13   1    0.781351    0.175632    0.202132    11.00000    0.04015    0.02502 =
-         0.03406   -0.01600    0.00768   -0.00217
-AFIX  43
-H13   2    0.756787    0.119291    0.193296    11.00000   -1.20000
-AFIX   0
-C14   1    0.686158    0.215357    0.254322    11.00000    0.02765    0.02571 =
-         0.02829   -0.01317    0.00308   -0.00155
-C15   1    0.539310    0.177259    0.301954    11.00000    0.03099    0.03612 =
-         0.03905   -0.02132    0.00794   -0.00861
-C16   1    0.449915    0.222622    0.347668    11.00000    0.02422    0.04157 =
-         0.04252   -0.02549    0.00845   -0.01029
-C17   1    0.283356    0.211950    0.380447    11.00000    0.02848    0.06349 =
-         0.06802   -0.04465    0.01915   -0.02023
-AFIX  43
-H17   2    0.213628    0.160664    0.386168    11.00000   -1.20000
-AFIX   0
-C18   1    0.241391    0.288218    0.402200    11.00000    0.02080    0.06816 =
-         0.07043   -0.04750    0.01536   -0.01386
-AFIX  43
-H18   2    0.137276    0.299822    0.424758    11.00000   -1.20000
-AFIX   0
-C19   1    0.380598    0.346462    0.385081    11.00000    0.01910    0.04728 =
-         0.04065   -0.02817    0.00716   -0.00144
-C20   1    0.787057    0.694164    0.304266    11.00000    0.03190    0.02927 =
-         0.02706   -0.01588   -0.00284    0.00238
-C23   1    0.856159    0.873776    0.304034    11.00000    0.05379    0.02531 =
-         0.03235   -0.01492   -0.00775    0.00353
-PART    1
-C21   1    0.771487    0.777804    0.227817    21.00000    0.06999    0.03928 =
-         0.03242   -0.01886   -0.01474   -0.00589
-AFIX  43
-H21   2    0.739623    0.773224    0.174844    21.00000   -1.20000
-AFIX   0
-C22   1    0.801335    0.866516    0.227736    21.00000    0.07627    0.03162 =
-         0.02976   -0.00821   -0.01942   -0.00012
-AFIX  43
-H22   2    0.784760    0.922783    0.175961    21.00000   -1.20000
-AFIX   0
-C24   1    0.871438    0.793985    0.377111    21.00000    0.14189    0.02964 =
-         0.03722   -0.01834   -0.04157    0.00572
-AFIX  43
-H24   2    0.908851    0.797940    0.429347    21.00000   -1.20000
-AFIX   0
-C25   1    0.833077    0.705153    0.377435    21.00000    0.11625    0.02699 =
-         0.03326   -0.01154   -0.02968    0.00243
-AFIX  43
-H25   2    0.839490    0.650033    0.431233    21.00000   -1.20000
-AFIX   0
-PART    2
-C21A  1    0.696328    0.771536    0.259481   -21.00000    0.02175    0.03424 =
-         0.02226   -0.01585   -0.00558    0.00851
-AFIX  43
-H21A  2    0.608524    0.765740    0.226229   -21.00000   -1.20000
-AFIX   0
-C22A  1    0.728904    0.860612    0.260947   -21.00000    0.04861    0.02686 =
-         0.02518   -0.01002    0.00012    0.01204
-AFIX  43
-H22A  2    0.659357    0.913684    0.230675   -21.00000   -1.20000
-AFIX   0
-C24A  1    0.956537    0.791453    0.353794   -21.00000    0.03366    0.03781 =
-         0.02932   -0.01865   -0.00518    0.01122
-AFIX  43
-H24A  2    1.043549    0.797906    0.387196   -21.00000   -1.20000
-AFIX   0
-C25A  1    0.924122    0.704217    0.351962   -21.00000    0.02700    0.02520 =
-         0.02383   -0.01759   -0.00051    0.00643
-AFIX  43
-H25A  2    0.991908    0.650212    0.382115   -21.00000   -1.20000
-AFIX   0
-PART    0
-C26   1    0.954139    0.975392    0.370337    11.00000    0.11957    0.03331 =
-         0.05286   -0.02506   -0.03380    0.00276
-AFIX 137
-H26A  2    0.879774    0.949268    0.422703    11.00000   -1.50000
-H26B  2    0.971354    1.043706    0.355828    11.00000   -1.50000
-H26C  2    1.059438    0.940940    0.382646    11.00000   -1.50000
-AFIX   0
-C27   1    1.154156    0.387497    0.112633    11.00000    0.02220    0.02454 =
-         0.01935   -0.00968    0.00313    0.00065
-C28   1    1.127324    0.392128    0.028729    11.00000    0.02072    0.03012 =
-         0.02029   -0.01087   -0.00074    0.00134
-AFIX  43
-H28   2    1.018173    0.397454    0.009793    11.00000   -1.20000
-AFIX   0
-C29   1    1.256511    0.389172   -0.028718    11.00000    0.02527    0.03595 =
-         0.01900   -0.01391    0.00142   -0.00334
-AFIX  43
-H29   2    1.235922    0.392884   -0.086354    11.00000   -1.20000
-AFIX   0
-C30   1    1.415789    0.380732   -0.000673    11.00000    0.02176    0.03692 =
-         0.02496   -0.01650    0.00642   -0.00152
-C31   1    1.445424    0.378954    0.082276    11.00000    0.02114    0.05129 =
-         0.02680   -0.01937   -0.00250    0.00356
-AFIX  43
-H31   2    1.554762    0.375349    0.100558    11.00000   -1.20000
-AFIX   0
-C32   1    1.315244    0.382445    0.138601    11.00000    0.02355    0.04632 =
-         0.01839   -0.01497   -0.00110    0.00231
-AFIX  43
-H32   2    1.336067    0.381383    0.195322    11.00000   -1.20000
-AFIX   0
-PART    1
-C34   1    0.486581    0.080827    0.306393    21.00000    0.02285    0.02586 =
-         0.04144   -0.01740   -0.00185   -0.00173
-C35   1    0.423366    0.074917    0.233696    21.00000    0.11749    0.02735 =
-         0.06636   -0.01362   -0.05260    0.00045
-AFIX  43
-H35   2    0.411005    0.131788    0.181933    21.00000   -1.20000
-AFIX   0
-C36   1    0.376140   -0.012789    0.233283    21.00000    0.14784    0.04015 =
-         0.07719   -0.01870   -0.06587   -0.01154
-AFIX  43
-H36   2    0.334458   -0.015988    0.181609    21.00000   -1.20000
-AFIX   0
-C37   1    0.391337   -0.094408    0.309359    21.00000    0.05703    0.02773 =
-         0.05931   -0.02244   -0.01799   -0.00341
-C38   1    0.454899   -0.090288    0.382835    21.00000    0.04045    0.03259 =
-         0.03391   -0.01115    0.00711   -0.00849
-AFIX  43
-H38   2    0.466778   -0.147160    0.434649    21.00000   -1.20000
-AFIX   0
-C39   1    0.502070   -0.002886    0.381639    21.00000    0.04217    0.03252 =
-         0.02691   -0.01167    0.00591   -0.01286
-AFIX  43
-H39   2    0.545684   -0.000173    0.433083    21.00000   -1.20000
-AFIX   0
-O3    4    0.349495   -0.185278    0.317572    21.00000    0.08598    0.03361 =
-         0.07314   -0.02701   -0.03032   -0.00442
-C40   1    0.264702   -0.199168    0.258814    21.00000    0.10015    0.04863 =
-         0.15354   -0.05197   -0.04558   -0.01158
-AFIX 137
-H40A  2    0.177931   -0.245405    0.288832    21.00000   -1.50000
-H40B  2    0.336848   -0.224341    0.223326    21.00000   -1.50000
-H40C  2    0.215484   -0.138215    0.220044    21.00000   -1.50000
-AFIX   0
-PART    2
-same c34 > c40
-C34A  1    0.442537    0.107515    0.275826   -21.00000    0.02378    0.02643 =
-         0.02456   -0.00867    0.00753    0.00271
-C35A  1    0.362625    0.122315    0.200914   -21.00000    0.14510    0.01817 =
-         0.07872    0.00361   -0.07843   -0.02300
-AFIX  43
-H35A  2    0.354617    0.185812    0.157236   -21.00000   -1.20000
-AFIX   0
-C36A  1    0.291152    0.047216    0.185439   -21.00000    0.12662    0.03244 =
-         0.09715   -0.00314   -0.07514   -0.02171
-AFIX  43
-H36A  2    0.238779    0.058238    0.131923   -21.00000   -1.20000
-AFIX   0
-C37A  1    0.301130   -0.041826    0.251149   -21.00000    0.02979    0.02165 =
-         0.05524   -0.01082    0.00676   -0.00576
-C38A  1    0.377920   -0.059149    0.325542   -21.00000    0.10914    0.02883 =
-         0.06548   -0.00514   -0.03408   -0.02974
-AFIX  43
-H38A  2    0.385345   -0.122611    0.369341   -21.00000   -1.20000
-AFIX   0
-C39A  1    0.447938    0.017677    0.338501   -21.00000    0.13445    0.04283 =
-         0.03265   -0.00173   -0.04444   -0.01577
-AFIX  43
-H39A  2    0.499824    0.006003    0.392287   -21.00000   -1.20000
-AFIX   0
-O3A   4    0.231353   -0.114030    0.230692   -21.00000    0.08688    0.02915 =
-         0.08872   -0.02104   -0.04001   -0.00111
-C40A  1    0.330111   -0.185068    0.225094   -21.00000    0.10015    0.04863 =
-         0.15354   -0.05197   -0.04558   -0.01158
-AFIX 137
-H40D  2    0.399382   -0.159708    0.170643   -21.00000   -1.50000
-H40E  2    0.262877   -0.237035    0.224131   -21.00000   -1.50000
-H40F  2    0.399491   -0.209834    0.276462   -21.00000   -1.50000
-AFIX   0
-PART    0
-N1    3    0.580584    0.459504    0.348609    11.00000    0.01648    0.03457 =
-         0.02754   -0.01836    0.00062    0.00156
-N2    3    0.859688    0.467773    0.258163    11.00000    0.01944    0.02923 =
-         0.02218   -0.01577    0.00222   -0.00132
-N3    3    0.760468    0.298012    0.250650    11.00000    0.02027    0.02367 =
-         0.02304   -0.01145    0.00362    0.00005
-N4    3    0.507905    0.304452    0.354365    11.00000    0.01889    0.03662 =
-         0.03244   -0.02171    0.00601   -0.00390
-O1    4    0.884839    0.964255    0.298133    11.00000    0.08155    0.02416 =
-         0.04493   -0.01584   -0.02259    0.00459
-CL1   5    0.864645    0.385573    0.459991    11.00000    0.03592    0.04411 =
-         0.03100   -0.02507   -0.01155    0.01383
-CL2   5    0.828174    0.193925    0.436608    11.00000    0.03614    0.02823 =
-         0.03083   -0.00645   -0.00425   -0.00402
-MO1   6    0.738093    0.351571    0.349111    11.00000    0.01474    0.02803 =
-         0.02056   -0.01306    0.00279   -0.00049
-O2    4    1.550573    0.372928   -0.050833    11.00000    0.02232    0.06632 =
-         0.03417   -0.03291    0.00865   -0.00584
-C33   1    1.518409    0.373897   -0.135617    11.00000    0.02936    0.11138 =
-         0.05143   -0.06355    0.01807   -0.02320
-AFIX 137
-H33A  2    1.441984    0.322552   -0.128469    11.00000   -1.50000
-H33B  2    1.621157    0.363800   -0.164352    11.00000   -1.50000
-H33C  2    1.469974    0.436005   -0.172317    11.00000   -1.50000
-AFIX   0
-HKLF    4
-
-REM  ps14bw in P1
-REM R1 =  0.0333 for    6944 Fo > 4sig(Fo)  and  0.0427 for all    8161 data
-REM    558 parameters refined using     29 restraints
-
-END
-
-WGHT      0.0328      1.1203
-
-REM Highest difference peak  0.502,  deepest hole -0.407,  1-sigma level  0.063
-Q1    1   0.2153 -0.2060  0.3188  11.00000  0.05    0.50
-Q2    1   0.7715  0.4131  0.3519  11.00000  0.05    0.43
-Q3    1   0.7785  0.9469  0.3086  11.00000  0.05    0.42
-Q4    1   0.6478  0.4095  0.3530  11.00000  0.05    0.35
-Q5    1   0.7569  0.8593  0.3169  11.00000  0.05    0.35
-Q6    1   0.7602  0.2212  0.4628  11.00000  0.05    0.35
-Q7    1   0.7966  0.3488  0.4641  11.00000  0.05    0.35
-Q8    1   0.7903  0.3164  0.4082  11.00000  0.05    0.34
-Q9    1   1.0883  0.3817  0.1470  11.00000  0.05    0.34
-Q10   1   0.8214  0.2504  0.4434  11.00000  0.05    0.33
-;
-_shelx_res_checksum              49217
-
-_shelx_hkl_file                  
-;
- -10  -6  -4  158574   73675                                                      182691    0.72    0.00  1.0000
- -10  -6  -3  456357  106024                                                      411001    0.85    0.00  1.0000
- -10  -6  -3  425261   97398                                                      381518    0.85    0.00  1.0000
- -10  -5  -6    3095   60161                                                        2188   -0.22    0.00  1.0000
- -10  -5  -6      78   46457                                                      -49253   -0.22    0.00  1.0000
- -10  -5  -5  440083  101913                                                      443709    0.07    0.00  1.0000
- -10  -5  -5  551412  100596                                                      555470    0.07    0.00  1.0000
- -10  -5  -4  603119  113264                                                      580341    0.36    0.00  1.0000
- -10  -5  -4  468513   90027                                                      448463    0.36    0.00  1.0000
- -10  -5  -3   86420   58663                                                      100526    0.57    0.00  1.0000
- -10  -5  -2   13306   54984                                                       19803    0.63    0.00  1.0000
- -10  -5  -1  833521  121775                                                      792579    0.56    0.00  1.0000
- -10  -5  -1 1057643  152576                                                     1011459    0.56    0.00  1.0000
- -10  -5   0  145739   73659                                                      159351    0.43    0.00  1.0000
- -10  -5   0  239745   83182                                                      257118    0.43    0.00  1.0000
- -10  -4  -6  822544  128969                                                      804074   -0.25    0.00  1.0000
- -10  -4  -6  464438   95130                                                      450586   -0.25    0.00  1.0000
- -10  -4  -5  814561  118449                                                      822036   -0.10    0.00  1.0000
- -10  -4  -5  858515  133495                                                      866189   -0.10    0.00  1.0000
- -10  -4  -4  646076  117178                                                      653034    0.11    0.00  1.0000
- -10  -4  -4  336231   80283                                                      341255    0.11    0.00  1.0000
- -10  -4  -3  120788   69416                                                      129405    0.30    0.00  1.0000
- -10  -4  -3   42199   38930                                                       47353    0.30    0.00  1.0000
- -10  -4  -2   88330   46056                                                       78548    0.42    0.00  1.0000
- -10  -4  -1  452183  103208                                                      476394    0.44    0.00  1.0000
- -10  -4   0  308453   87189                                                      326142    0.39    0.00  1.0000
- -10  -4   1  541375  106708                                                      522673    0.32    0.00  1.0000
- -10  -4   1  828192  134331                                                      805021    0.32    0.00  1.0000
- -10  -3  -7  442386   92872                                                      443050    0.01    0.00  1.0000
- -10  -3  -7  505362  101193                                                      506072    0.01    0.00  1.0000
- -10  -3  -6 1810699  175642                                                     1806100    0.04    0.00  1.0000
- -10  -3  -6 1872282  186531                                                     1867606    0.04    0.00  1.0000
- -10  -3  -5  339248   84140                                                      344970    0.12    0.00  1.0000
- -10  -3  -5  557166  108787                                                      564492    0.12    0.00  1.0000
- -10  -3  -4   23502   55434                                                       26810    0.26    0.00  1.0000
- -10  -3  -4  125402   64891                                                      132901    0.26    0.00  1.0000
- -10  -3  -3  715239  117997                                                      686486    0.42    0.00  1.0000
- -10  -3  -3  609028  100930                                                      582519    0.42    0.00  1.0000
- -10  -3  -2  186781   66022                                                      206718    0.55    0.00  1.0000
- -10  -3  -2  177185   70629                                                      196617    0.55    0.00  1.0000
- -10  -3  -1  297783   84268                                                      272326    0.59    0.00  1.0000
- -10  -3   0  334699   86759                                                      311512    0.50    0.00  1.0000
- -10  -3   1  214482   78832                                                      227483    0.34    0.00  1.0000
- -10  -3   2   29821   49565                                                       27360    0.18    0.00  1.0000
- -10  -3   2   31796   46451                                                       29254    0.18    0.00  1.0000
- -10  -2  -6  711615  118893                                                      726034    0.21    0.00  1.0000
- -10  -2  -6  628843  112857                                                      642403    0.21    0.00  1.0000
- -10  -2  -5  163753   72889                                                      173534    0.29    0.00  1.0000
- -10  -2  -5  332898   82276                                                      346784    0.29    0.00  1.0000
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-   9   7   0  752679  100624                                                      761540    0.13    0.00  1.0000
-   9   7   0  616268  104785                                                      624289    0.13    0.00  1.0000
-   9   7   1  296037   79524                                                      287924    0.18    0.00  1.0000
-   9   7   1  433501   75838                                                      423672    0.18    0.00  1.0000
-   9   7   1  402175   86605                                                      392709    0.18    0.00  1.0000
-   9   7   2   63077   54635                                                       58192    0.24    0.00  1.0000
-   9   7   2   43375   53886                                                       39340    0.24    0.00  1.0000
-   9   7   3 1120525  140096                                                     1144422    0.28    0.00  1.0000
-   9   7   3 1058698  136186                                                     1081930    0.28    0.00  1.0000
-   9   7   4  792275  121271                                                      772899    0.27    0.00  1.0000
-   9   7   4  587399  100998                                                      570733    0.27    0.00  1.0000
-   9   7   5  377275   86664                                                      389315    0.24    0.00  1.0000
-   9   7   5  605246  107952                                                      620472    0.24    0.00  1.0000
-   9   7   6  269542   81532                                                      260343    0.22    0.00  1.0000
-   9   7   6  161948   63848                                                      154835    0.22    0.00  1.0000
-   9   7   7  249724   83388                                                      239859    0.25    0.00  1.0000
-   9   7   7  193588   70596                                                      184914    0.25    0.00  1.0000
-   9   7   8  990469  141889                                                     1017186    0.33    0.00  1.0000
-   9   7   8 1009543  131489                                                     1036515    0.33    0.00  1.0000
-   9   7   9     322   50971                                                        -458    0.44    0.00  1.0000
-   9   7   9     322   61405                                                      -89814    0.44    0.00  1.0000
-   9   7  10   52945   56939                                                       43436    0.53    0.00  1.0000
-   9   7  10     475   45857                                                        -102    0.53    0.00  1.0000
-   9   7  11     525   56794                                                      -62487    0.56    0.00  1.0000
-   9   7  11     525   49625                                                       -9990    0.56    0.00  1.0000
-   9   8  -2  163115   58027                                                      162329   -0.02    0.00  1.0000
-   9   8  -2   80248   56489                                                       79697   -0.02    0.00  1.0000
-   9   8  -1  283633   72106                                                      287105    0.08    0.00  1.0000
-   9   8  -1  238595   65394                                                      241780    0.08    0.00  1.0000
-   9   8  -1  544977  108192                                                      549785    0.08    0.00  1.0000
-   9   8   0  268051   64957                                                      257254    0.26    0.00  1.0000
-   9   8   0  175327   64474                                                      166616    0.26    0.00  1.0000
-   9   8   0  268908   70962                                                      258093    0.26    0.00  1.0000
-   9   8   1   61234   50482                                                       52190    0.47    0.00  1.0000
-   9   8   1    8964   32194                                                        5727    0.47    0.00  1.0000
-   9   8   1    3127   45230                                                        1362    0.47    0.00  1.0000
-   9   8   2  458799   95733                                                      494540    0.64    0.00  1.0000
-   9   8   2  447972   97940                                                      483297    0.64    0.00  1.0000
-   9   8   3 1574280  159792                                                     1502304    0.71    0.00  1.0000
-   9   8   3 1402645  150965                                                     1334752    0.71    0.00  1.0000
-   9   8   4  489387  103609                                                      529129    0.68    0.00  1.0000
-   9   8   4  378484   93586                                                      413527    0.68    0.00  1.0000
-   9   8   5  221841   85346                                                      244589    0.58    0.00  1.0000
-   9   8   5   58391   56217                                                       70331    0.58    0.00  1.0000
-   9   8   6 1171537  148386                                                     1132245    0.45    0.00  1.0000
-   9   8   6 1366487  152954                                                     1324025    0.45    0.00  1.0000
-   9   8   7 1367918  163986                                                     1400933    0.34    0.00  1.0000
-   9   8   7 1452026  158695                                                     1486035    0.34    0.00  1.0000
-   9   8   8  632879  116381                                                      614135    0.29    0.00  1.0000
-   9   8   8  563589  103796                                                      545908    0.29    0.00  1.0000
-   9   8   9  279911   83374                                                      267516    0.29    0.00  1.0000
-   9   8   9  167133   64370                                                      157587    0.29    0.00  1.0000
-   9   8  10  106032   59771                                                      114721    0.32    0.00  1.0000
-   9   8  10     173   50840                                                      -44027    0.32    0.00  1.0000
-   9   9   0      11   52393                                                      -48627    0.08    0.00  1.0000
-   9   9   0      11   44176                                                      -31048    0.08    0.00  1.0000
-   9   9   0      11   55178                                                      -36311    0.08    0.00  1.0000
-   9   9   1  292960   76029                                                      308436    0.35    0.00  1.0000
-   9   9   1  317265   72197                                                      333362    0.35    0.00  1.0000
-   9   9   1  331920   94617                                                      348380    0.35    0.00  1.0000
-   9   9   2  253864   65860                                                      230280    0.59    0.00  1.0000
-   9   9   2  341055   80259                                                      313628    0.59    0.00  1.0000
-   9   9   2  144304   53083                                                      126664    0.59    0.00  1.0000
-   9   9   3   12364   48876                                                       19888    0.74    0.00  1.0000
-   9   9   3   39155   59628                                                       51854    0.74    0.00  1.0000
-   9   9   4  320533   89179                                                      355872    0.75    0.00  1.0000
-   9   9   4  396998   95021                                                      436223    0.75    0.00  1.0000
-   9   9   5 1161519  142049                                                     1106099    0.64    0.00  1.0000
-   9   9   5 1072533  137315                                                     1019305    0.64    0.00  1.0000
-   9   9   6 1046382  145948                                                     1085582    0.47    0.00  1.0000
-   9   9   6  995825  138288                                                     1034075    0.47    0.00  1.0000
-   9   9   7     138   57712                                                      -69940    0.29    0.00  1.0000
-   9   9   7   49284   49109                                                       44229    0.29    0.00  1.0000
-   9   9   8   63548   60144                                                       60512    0.15    0.00  1.0000
-   9   9   8   50567   50993                                                       47862    0.15    0.00  1.0000
-   9   9   9  805950  129042                                                      811421    0.07    0.00  1.0000
-   9   9   9  807930  128178                                                      813408    0.07    0.00  1.0000
-   9  10   3  105006   67965                                                      113626    0.32    0.00  1.0000
-   9  10   3  152179   56962                                                      162522    0.32    0.00  1.0000
-   9  10   3   76264   57987                                                       83636    0.32    0.00  1.0000
-   9  10   4  495334   97684                                                      474371    0.37    0.00  1.0000
-   9  10   4  668423  114077                                                      644035    0.37    0.00  1.0000
-   9  10   5  346476   86077                                                      363428    0.35    0.00  1.0000
-   9  10   6     118   42355                                                      -11413    0.27    0.00  1.0000
-   9  10   7  523406   99145                                                      514806    0.15    0.00  1.0000
-  10  -4  -4  767798  116048                                                      703090    0.93    0.00  1.0000
-  10  -4  -3 1200314  155272                                                     1292609    1.02    0.00  1.0000
-  10  -4  -2  188522   74634                                                      154757    1.00    0.00  1.0000
-  10  -4  -1  399894   93316                                                      355750    0.88    0.00  1.0000
-  10  -4   0  917955  141604                                                      970702    0.67    0.00  1.0000
-  10  -4   1     253   52864                                                      -36696    0.39    0.00  1.0000
-  10  -4   2      25   75775                                                     -111467    0.12    0.00  1.0000
-  10  -3  -4  343918   91719                                                      405591    1.24    0.00  1.0000
-  10  -3  -3   39956   56301                                                       22274    1.25    0.00  1.0000
-  10  -3  -2  333157   84565                                                      283589    1.10    0.00  1.0000
-  10  -3  -1 1506760  171516                                                     1590412    0.83    0.00  1.0000
-  10  -3   0  111407   66935                                                       99085    0.47    0.00  1.0000
-  10  -3   1   83821   71945                                                       82025    0.08    0.00  1.0000
-  10  -3   2     125   55915                                                       -8987   -0.27    0.00  1.0000
-  10  -3   3  115285   65078                                                      129632   -0.51    0.00  1.0000
-  10  -2  -4   25580   44857                                                       39454    0.95    0.00  1.0000
-  10  -2  -3  838609  118322                                                      763761    1.03    0.00  1.0000
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-  10  -2  -1 1265838  148142                                                     1198266    0.75    0.00  1.0000
-  10  -2   0  183979   68909                                                      169681    0.42    0.00  1.0000
-  10  -2   1  509615  107935                                                      510744    0.02    0.00  1.0000
-  10  -2   2  318770   88017                                                      336289   -0.38    0.00  1.0000
-  10  -2   3     780   75586                                                     -110170   -0.69    0.00  1.0000
-  10  -2   4  271445   79658                                                      237137   -0.84    0.00  1.0000
-  10  -1  -4  878519  124235                                                      883280   -0.06    0.00  1.0000
-  10  -1  -3 1550031  164188                                                     1563518    0.13    0.00  1.0000
-  10  -1  -2  130946   63215                                                      122259    0.30    0.00  1.0000
-  10  -1  -1  118312   62328                                                      108197    0.37    0.00  1.0000
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-  10  -1   1  608466  118019                                                      600789    0.12    0.00  1.0000
-  10  -1   2  146833   62493                                                      142351   -0.14    0.00  1.0000
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-  10  -1   5  259100   96881                                                      290886   -0.74    0.00  1.0000
-  10   0  -4  599039   98075                                                      540809   -0.95    0.00  1.0000
-  10   0  -3   99168   58721                                                      118492   -0.72    0.00  1.0000
-  10   0  -2  486742   99054                                                      508092   -0.37    0.00  1.0000
-  10   0  -1  445951   93907                                                      444020   -0.04    0.00  1.0000
-  10   0   0  900764  126969                                                      887014    0.18    0.00  1.0000
-  10   0   1   84474   60826                                                       90002    0.23    0.00  1.0000
-  10   0   2  175060   79592                                                      179967    0.14    0.00  1.0000
-  10   0   3 1894236  188485                                                     1896592   -0.02    0.00  1.0000
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-  10   0   5  646291  115095                                                      622703   -0.36    0.00  1.0000
-  10   0   6  236767   79465                                                      255226   -0.46    0.00  1.0000
-  10   1  -4  146694   65542                                                      178936   -0.98    0.00  1.0000
-  10   1  -4  231915   72706                                                      272045   -0.98    0.00  1.0000
-  10   1  -3  101632   50972                                                      123610   -0.81    0.00  1.0000
-  10   1  -3  173015   63925                                                      201364   -0.81    0.00  1.0000
-  10   1  -2 1131953  138356                                                     1095541   -0.42    0.00  1.0000
-  10   1  -2 1112284  121061                                                     1076192   -0.42    0.00  1.0000
-  10   1  -1  347407   86092                                                      346751    0.01    0.00  1.0000
-  10   1   0   53463   56373                                                       47080    0.35    0.00  1.0000
-  10   1   1  347337   88833                                                      371768    0.50    0.00  1.0000
-  10   1   2  582683  107007                                                      553162    0.48    0.00  1.0000
-  10   1   3  104835   64818                                                      114625    0.36    0.00  1.0000
-  10   1   4 1103884  147222                                                     1122494    0.22    0.00  1.0000
-  10   1   5 1649405  178613                                                     1641012    0.08    0.00  1.0000
-  10   1   6   19397   52596                                                       19763   -0.03    0.00  1.0000
-  10   2  -3  851652  117601                                                      825863   -0.35    0.00  1.0000
-  10   2  -3  847833  116619                                                      822102   -0.35    0.00  1.0000
-  10   2  -2  499969   98627                                                      504559   -0.08    0.00  1.0000
-  10   2  -2  591836   95528                                                      596829   -0.08    0.00  1.0000
-  10   2  -1   57877   46551                                                       63380    0.27    0.00  1.0000
-  10   2  -1     125   35875                                                      -23554    0.27    0.00  1.0000
-  10   2   0 1072065  141142                                                     1121117    0.58    0.00  1.0000
-  10   2   0  841261  113853                                                      884776    0.58    0.00  1.0000
-  10   2   1   90685   45862                                                       73961    0.72    0.00  1.0000
-  10   2   1  144003   53132                                                      122709    0.72    0.00  1.0000
-  10   2   2   69597   55369                                                       55457    0.70    0.00  1.0000
-  10   2   2   26828   38453                                                       18352    0.70    0.00  1.0000
-  10   2   3  682076  120946                                                      720591    0.56    0.00  1.0000
-  10   2   4 1595534  174217                                                     1553298    0.41    0.00  1.0000
-  10   2   5  304280   87261                                                      317562    0.29    0.00  1.0000
-  10   2   6  911979  138906                                                      928294    0.21    0.00  1.0000
-  10   3  -2   49384   45553                                                       46202    0.18    0.00  1.0000
-  10   3  -2   74875   55006                                                       70946    0.18    0.00  1.0000
-  10   3  -1  206365   67977                                                      219122    0.34    0.00  1.0000
-  10   3  -1  245430   71893                                                      259325    0.34    0.00  1.0000
-  10   3   0  716629  109526                                                      682507    0.50    0.00  1.0000
-  10   3   0  670121   99424                                                      637138    0.50    0.00  1.0000
-  10   3   1  170786   67490                                                      151645    0.59    0.00  1.0000
-  10   3   1  293806   69645                                                      268523    0.59    0.00  1.0000
-  10   3   2  319051   91575                                                      344953    0.55    0.00  1.0000
-  10   3   2  218498   70257                                                      240020    0.55    0.00  1.0000
-  10   3   3  823178  125913                                                      792311    0.42    0.00  1.0000
-  10   3   3  494714   86716                                                      470851    0.42    0.00  1.0000
-  10   3   4   43851   59391                                                       48330    0.26    0.00  1.0000
-  10   3   4     109   43407                                                       -2316    0.26    0.00  1.0000
-  10   3   5  382234   92081                                                      388305    0.12    0.00  1.0000
-  10   3   5  487965   88820                                                      494822    0.12    0.00  1.0000
-  10   3   6 2037029  200377                                                     2032151    0.04    0.00  1.0000
-  10   3   7  379122  100208                                                      379737    0.01    0.00  1.0000
-  10   4  -1  957461  126657                                                      932535    0.32    0.00  1.0000
-  10   4  -1  650164  105559                                                      629653    0.32    0.00  1.0000
-  10   4   0  330982   84045                                                      349297    0.39    0.00  1.0000
-  10   4   0  497723   96798                                                      520127    0.39    0.00  1.0000
-  10   4   1  619994  111199                                                      648289    0.44    0.00  1.0000
-  10   4   1  551556   97534                                                      578262    0.44    0.00  1.0000
-  10   4   2  264117   73663                                                      246994    0.42    0.00  1.0000
-  10   4   2  174609   62057                                                      160740    0.42    0.00  1.0000
-  10   4   3     150   48836                                                      -76968    0.30    0.00  1.0000
-  10   4   3     876   44956                                                        1743    0.30    0.00  1.0000
-  10   4   4  299622   78265                                                      304366    0.11    0.00  1.0000
-  10   4   4  402486   86371                                                      407982    0.11    0.00  1.0000
-  10   4   5  816782  133167                                                      824267   -0.10    0.00  1.0000
-  10   4   5  818944  114332                                                      826439   -0.10    0.00  1.0000
-  10   4   6  428427   98037                                                      415127   -0.25    0.00  1.0000
-  10   4   6  337323   77537                                                      325533   -0.25    0.00  1.0000
-  10   5   0  197632   71093                                                      213434    0.43    0.00  1.0000
-  10   5   0   95739   59951                                                      106829    0.43    0.00  1.0000
-  10   5   1  841577  119160                                                      800436    0.56    0.00  1.0000
-  10   5   1  652822  107373                                                      616648    0.56    0.00  1.0000
-  10   5   2   10307   46480                                                       16102    0.63    0.00  1.0000
-  10   5   2     649   48108                                                      -47094    0.63    0.00  1.0000
-  10   5   3   59299   62886                                                       71075    0.57    0.00  1.0000
-  10   5   3  109749   59840                                                      125578    0.57    0.00  1.0000
-  10   5   4  549753  108984                                                      528016    0.36    0.00  1.0000
-  10   5   4  519242   96521                                                      498123    0.36    0.00  1.0000
-  10   5   5  554450  108685                                                      558519    0.07    0.00  1.0000
-  10   5   5  375760   85191                                                      379111    0.07    0.00  1.0000
-  10   5   6      78   69889                                                      -79309   -0.22    0.00  1.0000
-  10   5   6      78   41591                                                      -32424   -0.22    0.00  1.0000
-  10   6   3  417950   93221                                                      374595    0.85    0.00  1.0000
-  10   6   3  264766   70081                                                      230501    0.85    0.00  1.0000
-  10   6   4  217155   79500                                                      245233    0.72    0.00  1.0000
-  10   6   4  332921   90218                                                      367484    0.72    0.00  1.0000
-;
-_shelx_hkl_checksum              39969
-
-_chemical_properties_physical    Moisture-sensitive
diff --git a/Tests/ChemSharp.Tests/files/cif_noTrim.cif b/Tests/ChemSharp.Tests/files/cif_noTrim.cif
deleted file mode 100644
index a6d3777..0000000
--- a/Tests/ChemSharp.Tests/files/cif_noTrim.cif
+++ /dev/null
@@ -1,34915 +0,0 @@
-####################################################################### 
-# 
-# This file contains crystal structure data downloaded from the 
-# Cambridge Structural Database (CSD) hosted by the Cambridge 
-# Crystallographic Data Centre (CCDC).
-# 
-# Full information about CCDC data access policies and citation 
-# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
-# 
-# Audit and citation data items may have been added by the CCDC. 
-# Please retain this information to preserve the provenance of 
-# this file and to allow appropriate attribution of the data. 
-# 
-#######################################################################
-
-data_shelx
-_audit_block_doi                 10.5517/ccdc.csd.cc1nvjpq
-_database_code_depnum_ccdc_archive 'CCDC 1544844'
-loop_
-_citation_id
-_citation_doi
-_citation_year
-1 10.1002/chem.201703721 2017
-_audit_update_record             
-;
-2017-08-08 deposited with the CCDC.	2020-04-02 downloaded from the CCDC.
-;
-
-_audit_creation_method           SHELXL-2014/7
-_shelx_SHELXL_version_number     2014/7
-_chemical_name_systematic        ?
-_chemical_name_common            ?
-_chemical_melting_point          ?
-_chemical_formula_moiety         'C40 H29 Cl2 Mo N4 O3'
-_chemical_formula_sum            'C40 H29 Cl2 Mo N4 O3'
-
-_chemical_formula_weight         780.51
-
-loop_
-_atom_type_symbol
-_atom_type_description
-_atom_type_scat_dispersion_real
-_atom_type_scat_dispersion_imag
-_atom_type_scat_source
-C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
-H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
-N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
-O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
-Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
-Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
-
-_space_group_crystal_system      triclinic
-_space_group_IT_number           2
-_space_group_name_H-M_alt        'P -1'
-_space_group_name_Hall           '-P 1'
-
-_shelx_space_group_comment       
-;
-The symmetry employed for this shelxl refinement is uniquely defined
-by the following loop, which should always be used as a source of
-symmetry information in preference to the above space-group names.
-They are only intended as comments.
-;
-
-loop_
-_space_group_symop_operation_xyz
-'x, y, z'
-'-x, -y, -z'
-
-_cell_length_a                   8.1707(5)
-_cell_length_b                   15.1621(7)
-_cell_length_c                   16.4378(9)
-_cell_angle_alpha                66.783(5)
-_cell_angle_beta                 87.110(5)
-_cell_angle_gamma                88.224(4)
-_cell_volume                     1868.97(19)
-_cell_formula_units_Z            2
-_cell_measurement_temperature    100(2)
-_cell_measurement_reflns_used    9303
-_cell_measurement_theta_min      2.4960
-_cell_measurement_theta_max      30.1260
-
-_exptl_crystal_description       block
-_exptl_crystal_colour            black
-_exptl_crystal_density_meas      ?
-_exptl_crystal_density_method    ?
-_exptl_crystal_density_diffrn    1.387
-_exptl_crystal_F_000             794
-_exptl_transmission_factor_min   ?
-_exptl_transmission_factor_max   ?
-_exptl_crystal_size_max          0.2400
-_exptl_crystal_size_mid          0.1200
-_exptl_crystal_size_min          0.1000
-_exptl_absorpt_coefficient_mu    0.536
-_shelx_estimated_absorpt_T_min   ?
-_shelx_estimated_absorpt_T_max   ?
-_exptl_absorpt_correction_type   multi-scan
-_exptl_absorpt_correction_T_min  0.99151
-_exptl_absorpt_correction_T_max  1.00000
-_exptl_absorpt_process_details   
-;
-CrysAlisPro, Agilent Technologies,
-Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
-(compiled Feb  1 2013,16:14:44)
-Empirical absorption correction using spherical harmonics,
- implemented in SCALE3 ABSPACK scaling algorithm.
-;
-_exptl_absorpt_special_details   ?
-_diffrn_ambient_temperature      100(2)
-_diffrn_radiation_wavelength     0.71073
-_diffrn_radiation_type           MoK\a
-_diffrn_source                   'Enhance (Mo) X-ray Source'
-_diffrn_measurement_device_type  'Xcalibur, Eos'
-_diffrn_measurement_method       '\w scans'
-_diffrn_detector_area_resol_mean 16.1419
-_diffrn_reflns_number            33674
-_diffrn_reflns_av_unetI/netI     0.0374
-_diffrn_reflns_av_R_equivalents  0.0374
-_diffrn_reflns_limit_h_min       -10
-_diffrn_reflns_limit_h_max       10
-_diffrn_reflns_limit_k_min       -19
-_diffrn_reflns_limit_k_max       19
-_diffrn_reflns_limit_l_min       -20
-_diffrn_reflns_limit_l_max       20
-_diffrn_reflns_theta_min         2.347
-_diffrn_reflns_theta_max         26.999
-_diffrn_reflns_theta_full        25.242
-_diffrn_measured_fraction_theta_max 1.000
-_diffrn_measured_fraction_theta_full 1.000
-_diffrn_reflns_Laue_measured_fraction_max 1.000
-_diffrn_reflns_Laue_measured_fraction_full 1.000
-_diffrn_reflns_point_group_measured_fraction_max 1.000
-_diffrn_reflns_point_group_measured_fraction_full 1.000
-_reflns_number_total             8161
-_reflns_number_gt                6944
-_reflns_threshold_expression     'I > 2\s(I)'
-_reflns_Friedel_coverage         0.000
-_reflns_Friedel_fraction_max     .
-_reflns_Friedel_fraction_full    .
-
-_reflns_special_details          
-;
- Reflections were merged by SHELXL according to the crystal
- class for the calculation of statistics and refinement.
- 
- _reflns_Friedel_fraction is defined as the number of unique
- Friedel pairs measured divided by the number that would be
- possible theoretically, ignoring centric projections and
- systematic absences.
-;
-
-_computing_data_collection       
-;
- CrysAlisPro, Oxford Diffraction Ltd.,
- Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
- (compiled Oct 25 2010,18:11:34)
-;
-_computing_cell_refinement       
-;
- CrysAlisPro, Oxford Diffraction Ltd.,
- Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
- (compiled Oct 25 2010,18:11:34)
-;
-_computing_data_reduction        
-;
- CrysAlisPro, Oxford Diffraction Ltd.,
- Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
- (compiled Oct 25 2010,18:11:34)
-;
-_computing_structure_solution    
-;
-SIR-2011 v1.0 (M. C. Burla, R. Caliandro, M. Camalli, B. Carrozzini,
-G. L. Cascarano, C. Giacovazzo, M. Mallamo, A. Mazzone, G. Polidori
-and R. Spagna, J. Appl. Cryst. (2012), 45, 357-361.)
-;
-_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
-_computing_molecular_graphics    
-;
- ORTEP3 for Windows (L. J. Farrugia, J. Appl. Crystallogr. 1997, 30, 565.)
-;
-_computing_publication_material  
-;
- WinGX v1.80.05 (L. J. Farrugia, J. Appl. Cryst., 1999, 32, 837-838.)
-;
-_platon_squeeze_details          
-;
- PLATON, A Multipurpose Crystallographic Tool, Utrecht University, Utrecht, 
- The Netherlands, A. L. Spek, 1998. 
-
- SQUEEZE - P. v.d. Sluis and A. L. Spek, Acta Crystallogr., 
- Sect A 1990, 46, 194-201.
-;
-_refine_special_details          
-;No appropriate model could be established for cocrystallised solvent molecules;
- the data were processed using the SQUEEZE/PLATON program (Spek, A. L. (1998) 
- PLATON, A Multipurpose Crystallographic Tool, Utrecht University, Utrecht, 
- The Netherlands.)
- A disordered phenyl group was refined using a split atom model (0.66(2) SOF
- of main component). A methoxyphenyl group was refined using a split atom
- model (0.69(1) SOF of main component), applaying restraints with a SAME command.
- Furthermore a ISOR command was set to the C40 c40a atoms.
- All H atoms were refined using a riding model, with a common U restrained
- to be 1.2 (1.5 for methyl groups) times the equivalent isotropic displacement
- parameter of the parent atom. Methyl groups were treated as a rigid bodies and
- allowed to rotate about the E-CH3 bond.
- Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
- goodness of fit S are based on F^2^, conventional R-factors R are based
- on F, with F set to zero for negative F^2^. The threshold expression of
- F^2^ > 2\s(F^2^) is used only for calculating R-factors(gt) etc. and is
- not relevant to the choice of reflections for refinement.  R-factors based
- on F^2^ are statistically about twice as large as those based on F, and R-
- factors based on ALL data will be even larger.,SQUEEZE
-;
-_refine_ls_structure_factor_coef Fsqd
-_refine_ls_matrix_type           full
-_refine_ls_weighting_scheme      calc
-_refine_ls_weighting_details     
-'w=1/[\s^2^(Fo^2^)+(0.0328P)^2^+1.1172P] where P=(Fo^2^+2Fc^2^)/3'
-_atom_sites_solution_primary     ?
-_atom_sites_solution_secondary   ?
-_atom_sites_solution_hydrogens   geom
-_refine_ls_hydrogen_treatment    constr
-_refine_ls_extinction_method     none
-_refine_ls_extinction_coef       .
-_refine_ls_number_reflns         8161
-_refine_ls_number_parameters     558
-_refine_ls_number_restraints     29
-_refine_ls_R_factor_all          0.0427
-_refine_ls_R_factor_gt           0.0333
-_refine_ls_wR_factor_ref         0.0783
-_refine_ls_wR_factor_gt          0.0743
-_refine_ls_goodness_of_fit_ref   1.028
-_refine_ls_restrained_S_all      1.038
-_refine_ls_shift/su_max          0.011
-_refine_ls_shift/su_mean         0.000
-
-   loop_
-_atom_site_label
-_atom_site_type_symbol
-_atom_site_fract_x
-_atom_site_fract_y
-_atom_site_fract_z
- _atom_site_U_iso_or_equiv
-_atom_site_adp_type
-_atom_site_occupancy
-_atom_site_site_symmetry_order
-_atom_site_calc_flag
-_atom_site_refinement_flags_posn
-_atom_site_refinement_flags_adp
-_atom_site_refinement_flags_occupancy
-_atom_site_disorder_assembly
-_atom_site_disorder_group
-  C1 C 0.4236(3) 0.43592(18) 0.38263(16) 0.0295(5) Uani 1 1 d . . . . . 
- C2 C 0.3542(3) 0.51241(19) 0.40267(17) 0.0355(6) Uani 1 1 d . . . . .
-  H2 H 0.2467 0.5147 0.4267 0.043 Uiso 1 1 calc R U . . .
-    C3 C 0.4691(3) 0.58156(18) 0.38137(16) 0.0309(5) Uani 1 1 d . . . . .
-      H3 H 0.4567 0.6405 0.3888 0.037 Uiso 1 1 calc R U . . .
-  C4 C 0.6126(3) 0.55027(16) 0.34577(15) 0.0253(5) Uani 1 1 d . . . . .
- C5 C 0.7552(3) 0.59732(16) 0.30569(15) 0.0251(5) Uani 1 1 d . . . . .
-C6 C 0.8707(3) 0.55754(16) 0.26201(15) 0.0246(5) Uani 1 1 d . . . . .
-C7 C 1.0097(3) 0.60476(17) 0.20913(16) 0.0286(5) Uani 1 1 d . . . . .
-H7 H 1.0469 0.6665 0.2011 0.034 Uiso 1 1 calc R U . . .
-C8 C 1.0803(3) 0.54627(17) 0.17197(15) 0.0270(5) Uani 1 1 d . . . . .
-H8 H 1.1747 0.5603 0.1331 0.032 Uiso 1 1 calc R U . . .
-C9 C 0.9884(2) 0.46097(16) 0.20144(14) 0.0218(4) Uani 1 1 d . . . . .
-C10 C 1.0110(2) 0.38494(15) 0.17405(13) 0.0206(4) Uani 1 1 d . . . . .
-C11 C 0.9024(2) 0.30912(15) 0.19603(14) 0.0222(4) Uani 1 1 d . . . . .
-C12 C 0.9137(3) 0.23229(16) 0.16705(16) 0.0291(5) Uani 1 1 d . . . . .
-H12 H 0.9986 0.2223 0.1298 0.035 Uiso 1 1 calc R U . . .
-C13 C 0.7814(3) 0.17563(17) 0.20213(16) 0.0320(5) Uani 1 1 d . . . . .
-H13 H 0.7568 0.1193 0.1933 0.038 Uiso 1 1 calc R U . . .
-C14 C 0.6862(3) 0.21536(16) 0.25432(15) 0.0265(5) Uani 1 1 d . . . . .
-C15 C 0.5393(3) 0.17726(18) 0.30195(17) 0.0335(6) Uani 1 1 d . . . . .
-C16 C 0.4499(3) 0.22262(18) 0.34767(18) 0.0335(6) Uani 1 1 d . . . . .
-C17 C 0.2834(3) 0.2120(2) 0.3804(2) 0.0478(8) Uani 1 1 d . . . . .
-H17 H 0.2136 0.1607 0.3862 0.057 Uiso 1 1 calc R U . . .
-C18 C 0.2414(3) 0.2882(2) 0.4022(2) 0.0472(8) Uani 1 1 d . . . . .
-H18 H 0.1373 0.2998 0.4248 0.057 Uiso 1 1 calc R U . . .
-C19 C 0.3806(3) 0.34646(19) 0.38508(17) 0.0326(6) Uani 1 1 d . . . . .
-C20 C 0.7871(3) 0.69416(17) 0.30427(16) 0.0279(5) Uani 1 1 d . . . . .
-C23 C 0.8562(3) 0.87378(17) 0.30403(17) 0.0359(6) Uani 1 1 d . . . . .
-C21 C 0.7715(7) 0.7778(3) 0.2278(3) 0.0452(11) Uani 0.713(4) 1 d . . P A 1
-H21 H 0.7396 0.7732 0.1748 0.054 Uiso 0.713(4) 1 calc R U P A 1
-C22 C 0.8013(7) 0.8665(3) 0.2277(3) 0.0465(12) Uani 0.713(4) 1 d . . P A 1
-H22 H 0.7848 0.9228 0.1760 0.056 Uiso 0.713(4) 1 calc R U P A 1
-C24 C 0.8714(9) 0.7940(4) 0.3771(4) 0.0667(19) Uani 0.713(4) 1 d . . P A 1
-H24 H 0.9089 0.7979 0.4293 0.080 Uiso 0.713(4) 1 calc R U P A 1
-C25 C 0.8331(8) 0.7052(3) 0.3774(3) 0.0580(15) Uani 0.713(4) 1 d . . P A 1
-H25 H 0.8395 0.6500 0.4312 0.070 Uiso 0.713(4) 1 calc R U P A 1
-C21A C 0.6963(11) 0.7715(7) 0.2595(7) 0.025(2) Uani 0.287(4) 1 d . . P A 2
-H21A H 0.6085 0.7657 0.2262 0.030 Uiso 0.287(4) 1 calc R U P A 2
-C22A C 0.7289(14) 0.8606(8) 0.2609(7) 0.034(2) Uani 0.287(4) 1 d . . P A 2
-H22A H 0.6594 0.9137 0.2307 0.041 Uiso 0.287(4) 1 calc R U P A 2
-C24A C 0.9565(13) 0.7915(9) 0.3538(8) 0.032(3) Uani 0.287(4) 1 d . . P A 2
-H24A H 1.0435 0.7979 0.3872 0.038 Uiso 0.287(4) 1 calc R U P A 2
-C25A C 0.9241(11) 0.7042(7) 0.3520(6) 0.0230(19) Uani 0.287(4) 1 d . . P A 2
-H25A H 0.9919 0.6502 0.3821 0.028 Uiso 0.287(4) 1 calc R U P A 2
-C26 C 0.9541(5) 0.9754(2) 0.3703(2) 0.0650(10) Uani 1 1 d . . . . .
-H26A H 0.8798 0.9493 0.4227 0.098 Uiso 1 1 calc R U . . .
-H26B H 0.9714 1.0437 0.3558 0.098 Uiso 1 1 calc R U . . .
-H26C H 1.0594 0.9409 0.3826 0.098 Uiso 1 1 calc R U . . .
-C27 C 1.1542(2) 0.38750(15) 0.11263(14) 0.0219(4) Uani 1 1 d . . . . .
-C28 C 1.1273(3) 0.39213(16) 0.02873(14) 0.0235(5) Uani 1 1 d . . . . .
-H28 H 1.0182 0.3975 0.0098 0.028 Uiso 1 1 calc R U . . .
-C29 C 1.2565(3) 0.38917(16) -0.02872(15) 0.0258(5) Uani 1 1 d . . . . .
-H29 H 1.2359 0.3929 -0.0864 0.031 Uiso 1 1 calc R U . . .
-C30 C 1.4158(3) 0.38073(17) -0.00067(15) 0.0268(5) Uani 1 1 d . . . . .
-C31 C 1.4454(3) 0.37895(19) 0.08228(16) 0.0319(5) Uani 1 1 d . . . . .
-H31 H 1.5548 0.3753 0.1006 0.038 Uiso 1 1 calc R U . . .
-C32 C 1.3152(3) 0.38244(18) 0.13860(15) 0.0288(5) Uani 1 1 d . . . . .
-H32 H 1.3361 0.3814 0.1953 0.035 Uiso 1 1 calc R U . . .
-C34 C 0.4866(6) 0.0808(4) 0.3064(4) 0.0287(11) Uani 0.713(4) 1 d D . P A 1
-C35 C 0.4234(8) 0.0749(4) 0.2337(4) 0.0701(17) Uani 0.713(4) 1 d D . P A 1
-H35 H 0.4110 0.1318 0.1819 0.084 Uiso 0.713(4) 1 calc R U P A 1
-C36 C 0.3761(10) -0.0128(4) 0.2333(4) 0.087(3) Uani 0.713(4) 1 d D . P A 1
-H36 H 0.3345 -0.0160 0.1816 0.105 Uiso 0.713(4) 1 calc R U P A 1
-C37 C 0.3913(7) -0.0944(3) 0.3094(4) 0.0457(13) Uani 0.713(4) 1 d D . P A 1
-C38 C 0.4549(5) -0.0903(3) 0.3828(3) 0.0364(9) Uani 0.713(4) 1 d D . P A 1
-H38 H 0.4668 -0.1472 0.4346 0.044 Uiso 0.713(4) 1 calc R U P A 1
-C39 C 0.5021(5) -0.0029(3) 0.3816(3) 0.0339(9) Uani 0.713(4) 1 d D . P A 1
-H39 H 0.5457 -0.0002 0.4331 0.041 Uiso 0.713(4) 1 calc R U P A 1
-O3 O 0.3495(4) -0.1853(2) 0.3176(2) 0.0613(10) Uani 0.713(4) 1 d D . P A 1
-C40 C 0.2647(9) -0.1992(5) 0.2588(6) 0.095(3) Uani 0.713(4) 1 d D U P A 1
-H40A H 0.1779 -0.2454 0.2888 0.143 Uiso 0.713(4) 1 calc R U P A 1
-H40B H 0.3368 -0.2243 0.2233 0.143 Uiso 0.713(4) 1 calc R U P A 1
-H40C H 0.2155 -0.1382 0.2200 0.143 Uiso 0.713(4) 1 calc R U P A 1
-C34A C 0.4425(14) 0.1075(8) 0.2758(7) 0.026(3) Uani 0.287(4) 1 d D . P A 2
-C35A C 0.363(2) 0.1223(8) 0.2009(9) 0.085(6) Uani 0.287(4) 1 d D . P A 2
-H35A H 0.3546 0.1858 0.1572 0.101 Uiso 0.287(4) 1 calc R U P A 2
-C36A C 0.2912(19) 0.0472(7) 0.1854(9) 0.089(6) Uani 0.287(4) 1 d D . P A 2
-H36A H 0.2388 0.0582 0.1319 0.107 Uiso 0.287(4) 1 calc R U P A 2
-        C37A C 0.3011(12) -0.0418(7) 0.2511(7) 0.037(3) Uani 0.287(4) 1 d D . P A 2
-C38A C 0.378(2) -0.0591(9) 0.3255(10) 0.070(5) Uani 0.287(4) 1 d D . P A 2
-H38A H 0.3853 -0.1226 0.3693 0.084 Uiso 0.287(4) 1 calc R U P A 2
-C39A C 0.448(2) 0.0177(8) 0.3385(8) 0.072(5) Uani 0.287(4) 1 d D . P A 2
-H39A H 0.4998 0.0060 0.3923 0.087 Uiso 0.287(4) 1 calc R U P A 2
-O3A O 0.2314(11) -0.1140(5) 0.2307(6) 0.068(3) Uani 0.287(4) 1 d D . P A 2
-C40A C 0.330(2) -0.1851(13) 0.2251(18) 0.095(3) Uani 0.287(4) 1 d D U P A 2
-H40D H 0.3994 -0.1597 0.1706 0.143 Uiso 0.287(4) 1 calc R U P A 2
-H40E H 0.2629 -0.2370 0.2241 0.143 Uiso 0.287(4) 1 calc R U P A 2
-H40F H 0.3995 -0.2098 0.2765 0.143 Uiso 0.287(4) 1 calc R U P A 2
-N1 N 0.5806(2) 0.45950(13) 0.34861(12) 0.0244(4) Uani 1 1 d . . . . .
-N2 N 0.8597(2) 0.46777(13) 0.25816(12) 0.0219(4) Uani 1 1 d . . . . .
-N3 N 0.7605(2) 0.29801(13) 0.25065(12) 0.0218(4) Uani 1 1 d . . . . .
-N4 N 0.5079(2) 0.30445(14) 0.35437(13) 0.0270(4) Uani 1 1 d . . . . .
-O1 O 0.8848(3) 0.96426(12) 0.29813(13) 0.0489(5) Uani 1 1 d . . . . .
-Cl1 Cl 0.86465(7) 0.38557(5) 0.45999(4) 0.03376(14) Uani 1 1 d . . . . .
-Cl2 Cl 0.82817(7) 0.19393(4) 0.43661(4) 0.03316(14) Uani 1 1 d . . . . .
-Mo1 Mo 0.73809(2) 0.35157(2) 0.34911(2) 0.02014(6) Uani 1 1 d . . . . .
-O2 O 1.55057(19) 0.37293(14) -0.05083(11) 0.0371(4) Uani 1 1 d . . . . .
-C33 C 1.5184(3) 0.3739(3) -0.1356(2) 0.0545(9) Uani 1 1 d . . . . .
-H33A H 1.4420 0.3226 -0.1285 0.082 Uiso 1 1 calc R U . . .
-H33B H 1.6212 0.3638 -0.1644 0.082 Uiso 1 1 calc R U . . .
-H33C H 1.4700 0.4360 -0.1723 0.082 Uiso 1 1 calc R U . . .
-
-loop_
-_atom_site_aniso_label
-_atom_site_aniso_U_11
-_atom_site_aniso_U_22
-_atom_site_aniso_U_33
-_atom_site_aniso_U_23
-_atom_site_aniso_U_13
-_atom_site_aniso_U_12
-C1 0.0161(10) 0.0449(14) 0.0362(14) -0.0257(12) 0.0021(9) 0.0002(9)
-C2 0.0226(11) 0.0536(16) 0.0410(15) -0.0309(13) 0.0031(10) 0.0066(10)
-C3 0.0298(12) 0.0412(14) 0.0312(13) -0.0250(11) -0.0019(10) 0.0089(10)
-C4 0.0246(11) 0.0325(12) 0.0254(12) -0.0184(10) -0.0039(9) 0.0061(9)
-C5 0.0271(11) 0.0295(12) 0.0237(12) -0.0156(10) -0.0059(9) 0.0035(9)
-C6 0.0245(11) 0.0300(12) 0.0241(12) -0.0158(10) -0.0017(9) -0.0009(9)
-C7 0.0273(11) 0.0327(13) 0.0313(13) -0.0181(11) 0.0003(9) -0.0089(9)
-C8 0.0198(10) 0.0368(13) 0.0272(12) -0.0154(10) 0.0016(9) -0.0053(9)
-C9 0.0183(10) 0.0299(12) 0.0196(11) -0.0124(9) 0.0002(8) -0.0002(8)
-C10 0.0185(10) 0.0277(11) 0.0142(10) -0.0072(9) 0.0002(8) 0.0032(8)
-C11 0.0226(10) 0.0237(11) 0.0197(11) -0.0085(9) 0.0021(8) 0.0027(8)
-C12 0.0349(12) 0.0256(12) 0.0278(13) -0.0130(10) 0.0085(10) 0.0022(9)
-C13 0.0401(13) 0.0250(12) 0.0341(14) -0.0160(11) 0.0077(11) -0.0022(10)
-C14 0.0276(11) 0.0257(12) 0.0283(13) -0.0132(10) 0.0031(9) -0.0015(9)
-C15 0.0310(12) 0.0361(14) 0.0391(15) -0.0213(12) 0.0079(10) -0.0086(10)
-C16 0.0242(11) 0.0416(14) 0.0425(15) -0.0255(12) 0.0084(10) -0.0103(10)
-C17 0.0285(13) 0.0635(19) 0.068(2) -0.0446(17) 0.0191(13) -0.0202(12)
-C18 0.0208(12) 0.068(2) 0.070(2) -0.0475(17) 0.0154(12) -0.0139(12)
-C19 0.0191(11) 0.0473(15) 0.0406(15) -0.0282(12) 0.0072(10) -0.0014(10)
-C20 0.0319(12) 0.0293(12) 0.0271(13) -0.0159(10) -0.0028(9) 0.0024(9)
-C23 0.0538(16) 0.0253(13) 0.0323(14) -0.0149(11) -0.0077(12) 0.0035(11)
-C21 0.070(3) 0.039(2) 0.032(3) -0.019(2) -0.015(2) -0.006(2)
-C22 0.076(4) 0.032(2) 0.030(3) -0.008(2) -0.019(2) 0.000(2)
-C24 0.142(6) 0.030(2) 0.037(3) -0.018(2) -0.042(4) 0.006(4)
-C25 0.116(5) 0.027(2) 0.033(3) -0.0115(19) -0.030(3) 0.002(3)
-C21A 0.022(4) 0.034(5) 0.022(5) -0.016(4) -0.006(3) 0.009(4)
-C22A 0.049(6) 0.027(5) 0.025(6) -0.010(4) 0.000(4) 0.012(4)
-C24A 0.034(5) 0.038(6) 0.029(6) -0.019(4) -0.005(4) 0.011(4)
-C25A 0.027(4) 0.025(4) 0.024(5) -0.018(4) -0.001(3) 0.006(3)
-C26 0.120(3) 0.0333(16) 0.053(2) -0.0251(15) -0.034(2) 0.0028(17)
-C27 0.0222(10) 0.0245(11) 0.0194(11) -0.0097(9) 0.0031(8) 0.0006(8)
-C28 0.0207(10) 0.0301(12) 0.0203(11) -0.0109(9) -0.0007(8) 0.0013(8)
-C29 0.0253(11) 0.0360(13) 0.0190(11) -0.0139(10) 0.0014(9) -0.0033(9)
-C30 0.0218(11) 0.0369(13) 0.0250(12) -0.0165(10) 0.0064(9) -0.0015(9)
-C31 0.0211(11) 0.0513(16) 0.0268(13) -0.0194(12) -0.0025(9) 0.0036(10)
-C32 0.0235(11) 0.0463(15) 0.0184(11) -0.0150(10) -0.0011(9) 0.0023(10)
-C34 0.023(2) 0.026(3) 0.041(3) -0.017(2) -0.0019(19) -0.0017(18)
-C35 0.117(5) 0.027(3) 0.066(4) -0.014(3) -0.053(3) 0.000(3)
-C36 0.148(7) 0.040(3) 0.077(5) -0.019(3) -0.066(5) -0.012(4)
-C37 0.057(3) 0.028(3) 0.059(3) -0.022(2) -0.018(2) -0.003(2)
-C38 0.040(2) 0.033(2) 0.034(2) -0.0112(16) 0.0071(17) -0.0085(15)
-C39 0.042(2) 0.033(2) 0.027(2) -0.0117(17) 0.0059(17) -0.0129(16)
-O3 0.086(2) 0.0336(16) 0.073(2) -0.0270(15) -0.0303(18) -0.0044(15)
-C40 0.100(5) 0.049(3) 0.154(6) -0.052(4) -0.046(4) -0.012(3)
-C34A 0.024(6) 0.026(6) 0.025(6) -0.009(5) 0.008(4) 0.003(4)
-C35A 0.145(14) 0.018(6) 0.079(9) 0.004(6) -0.078(10) -0.023(7)
-C36A 0.127(12) 0.032(6) 0.097(11) -0.003(6) -0.075(10) -0.022(7)
-C37A 0.030(5) 0.022(6) 0.055(7) -0.011(5) 0.007(5) -0.006(4)
-C38A 0.109(12) 0.029(8) 0.065(10) -0.005(7) -0.034(9) -0.030(8)
-C39A 0.134(14) 0.043(8) 0.033(7) -0.002(6) -0.044(8) -0.016(8)
-O3A 0.087(6) 0.029(4) 0.089(7) -0.021(4) -0.040(5) -0.001(4)
-C40A 0.100(5) 0.049(3) 0.154(6) -0.052(4) -0.046(4) -0.012(3)
-N1 0.0165(8) 0.0346(11) 0.0275(10) -0.0184(9) 0.0006(7) 0.0016(7)
-N2 0.0194(8) 0.0292(10) 0.0222(10) -0.0158(8) 0.0022(7) -0.0013(7)
-N3 0.0203(8) 0.0237(9) 0.0230(10) -0.0114(8) 0.0036(7) 0.0001(7)
-N4 0.0189(9) 0.0366(11) 0.0324(11) -0.0217(9) 0.0060(8) -0.0039(8)
-O1 0.0815(15) 0.0242(9) 0.0449(12) -0.0158(8) -0.0226(10) 0.0046(9)
-Cl1 0.0359(3) 0.0441(4) 0.0310(3) -0.0251(3) -0.0115(2) 0.0138(3)
-Cl2 0.0361(3) 0.0282(3) 0.0308(3) -0.0064(2) -0.0043(2) -0.0040(2)
-Mo1 0.01474(9) 0.02803(11) 0.02056(10) -0.01306(8) 0.00279(6) -0.00049(6)
-O2 0.0223(8) 0.0663(12) 0.0342(10) -0.0329(9) 0.0086(7) -0.0058(8)
-C33 0.0294(13) 0.111(3) 0.0514(18) -0.0635(19) 0.0181(12) -0.0232(15)
-
-_geom_special_details            
-;
- All esds (except the esd in the dihedral angle between two l.s. planes)
- are estimated using the full covariance matrix.  The cell esds are taken
- into account individually in the estimation of esds in distances, angles
- and torsion angles; correlations between esds in cell parameters are only
- used when they are defined by crystal symmetry.  An approximate (isotropic)
- treatment of cell esds is used for estimating esds involving l.s. planes.
-;
-
-  loop_
-_geom_bond_atom_site_label_1
-_geom_bond_atom_site_label_2
-_geom_bond_distance
-_geom_bond_site_symmetry_2
-_geom_bond_publ_flag
-  C1 N1 1.373(3) . ?
- C1 C19 1.396(3) . ?
- C1 C2 1.420(3) . ?
- C2 C3 1.357(3) . ?
-C2 H2 0.9500 . ?
-C3 C4 1.434(3) . ?
-C3 H3 0.9500 . ?
-C4 C5 1.380(3) . ?
-C4 N1 1.391(3) . ?
-C5 C6 1.417(3) . ?
-C5 C20 1.490(3) . ?
-C6 N2 1.393(3) . ?
-C6 C7 1.420(3) . ?
-C7 C8 1.361(3) . ?
-C7 H7 0.9500 . ?
-C8 C9 1.415(3) . ?
-C8 H8 0.9500 . ?
-C9 C10 1.398(3) . ?
-C9 N2 1.398(3) . ?
-C10 C11 1.394(3) . ?
-C10 C27 1.497(3) . ?
-C11 N3 1.403(3) . ?
-C11 C12 1.421(3) . ?
-C12 C13 1.358(3) . ?
-C12 H12 0.9500 . ?
-C13 C14 1.419(3) . ?
-C13 H13 0.9500 . ?
-C14 N3 1.388(3) . ?
-C14 C15 1.406(3) . ?
-C15 C16 1.376(3) . ?
-C15 C34 1.510(5) . ?
-C15 C34A 1.540(12) . ?
-C16 N4 1.388(3) . ?
-C16 C17 1.428(3) . ?
-C17 C18 1.368(4) . ?
-C17 H17 0.9500 . ?
-C18 C19 1.410(3) . ?
-C18 H18 0.9500 . ?
-C19 N4 1.379(3) . ?
-C20 C21A 1.337(9) . ?
-C20 C25 1.350(5) . ?
-C20 C21 1.398(5) . ?
-C20 C25A 1.444(10) . ?
-C23 C24 1.335(6) . ?
-C23 C22A 1.349(12) . ?
-C23 O1 1.363(3) . ?
-C23 C22 1.398(5) . ?
-C23 C24A 1.449(12) . ?
-C21 C22 1.374(6) . ?
-C21 H21 0.9500 . ?
-C22 H22 0.9500 . ?
-C24 C25 1.390(7) . ?
-C24 H24 0.9500 . ?
-C25 H25 0.9500 . ?
-C21A C22A 1.394(15) . ?
-C21A H21A 0.9500 . ?
-C22A H22A 0.9500 . ?
-C24A C25A 1.369(16) . ?
-C24A H24A 0.9500 . ?
-C25A H25A 0.9500 . ?
-C26 O1 1.410(3) . ?
-C26 H26A 0.9800 . ?
-C26 H26B 0.9800 . ?
-C26 H26C 0.9800 . ?
-C27 C28 1.381(3) . ?
-C27 C32 1.395(3) . ?
-C28 C29 1.392(3) . ?
-C28 H28 0.9500 . ?
-C29 C30 1.388(3) . ?
-C29 H29 0.9500 . ?
-C30 O2 1.373(2) . ?
-C30 C31 1.387(3) . ?
-C31 C32 1.388(3) . ?
-C31 H31 0.9500 . ?
-C32 H32 0.9500 . ?
-C34 C35 1.361(7) . ?
-C34 C39 1.387(6) . ?
-C35 C36 1.399(6) . ?
-C35 H35 0.9500 . ?
-C36 C37 1.377(8) . ?
-C36 H36 0.9500 . ?
-C37 C38 1.363(7) . ?
-C37 O3 1.382(5) . ?
-C38 C39 1.384(5) . ?
-C38 H38 0.9500 . ?
-C39 H39 0.9500 . ?
-O3 C40 1.302(8) . ?
-C40 H40A 0.9800 . ?
-C40 H40B 0.9800 . ?
-C40 H40C 0.9800 . ?
-C34A C39A 1.347(12) . ?
-C34A C35A 1.359(13) . ?
-C35A C36A 1.410(11) . ?
-C35A H35A 0.9500 . ?
-C36A C37A 1.360(13) . ?
-C36A H36A 0.9500 . ?
-C37A C38A 1.331(15) . ?
-C37A O3A 1.409(10) . ?
-C38A C39A 1.407(13) . ?
-C38A H38A 0.9500 . ?
-C39A H39A 0.9500 . ?
-O3A C40A 1.355(16) . ?
-C40A H40D 0.9800 . ?
-C40A H40E 0.9800 . ?
-C40A H40F 0.9800 . ?
-N1 Mo1 2.0480(18) . ?
-N2 Mo1 2.0514(18) . ?
-N3 Mo1 2.0760(18) . ?
-N4 Mo1 2.0183(18) . ?
-Cl1 Mo1 2.3708(6) . ?
-Cl2 Mo1 2.3687(6) . ?
-O2 C33 1.426(3) . ?
-C33 H33A 0.9800 . ?
-C33 H33B 0.9800 . ?
-C33 H33C 0.9800 . ?
-
-loop_
-_geom_angle_atom_site_label_1
-_geom_angle_atom_site_label_2
-_geom_angle_atom_site_label_3
-_geom_angle
-_geom_angle_site_symmetry_1
-_geom_angle_site_symmetry_3
-_geom_angle_publ_flag
-N1 C1 C19 111.38(19) . . ?
-N1 C1 C2 108.8(2) . . ?
-C19 C1 C2 139.8(2) . . ?
-C3 C2 C1 107.7(2) . . ?
-C3 C2 H2 126.2 . . ?
-C1 C2 H2 126.2 . . ?
-C2 C3 C4 108.2(2) . . ?
-C2 C3 H3 125.9 . . ?
-C4 C3 H3 125.9 . . ?
-C5 C4 N1 121.06(19) . . ?
-C5 C4 C3 131.3(2) . . ?
-N1 C4 C3 107.28(19) . . ?
-C4 C5 C6 121.5(2) . . ?
-C4 C5 C20 120.0(2) . . ?
-C6 C5 C20 118.5(2) . . ?
-N2 C6 C5 125.4(2) . . ?
-N2 C6 C7 108.35(19) . . ?
-C5 C6 C7 126.1(2) . . ?
-C8 C7 C6 108.2(2) . . ?
-C8 C7 H7 125.9 . . ?
-C6 C7 H7 125.9 . . ?
-C7 C8 C9 107.98(19) . . ?
-C7 C8 H8 126.0 . . ?
-C9 C8 H8 126.0 . . ?
-C10 C9 N2 124.40(19) . . ?
-C10 C9 C8 126.8(2) . . ?
-N2 C9 C8 108.60(19) . . ?
-C11 C10 C9 123.91(19) . . ?
-C11 C10 C27 117.40(19) . . ?
-C9 C10 C27 118.56(19) . . ?
-C10 C11 N3 124.27(19) . . ?
-C10 C11 C12 126.8(2) . . ?
-N3 C11 C12 108.91(18) . . ?
-C13 C12 C11 107.7(2) . . ?
-C13 C12 H12 126.1 . . ?
-C11 C12 H12 126.1 . . ?
-C12 C13 C14 108.0(2) . . ?
-C12 C13 H13 126.0 . . ?
-C14 C13 H13 126.0 . . ?
-N3 C14 C15 125.3(2) . . ?
-N3 C14 C13 109.27(19) . . ?
-C15 C14 C13 125.4(2) . . ?
-C16 C15 C14 121.9(2) . . ?
-C16 C15 C34 120.2(3) . . ?
-C14 C15 C34 117.8(3) . . ?
-C16 C15 C34A 115.4(5) . . ?
-C14 C15 C34A 118.8(5) . . ?
-C15 C16 N4 121.0(2) . . ?
-C15 C16 C17 131.0(2) . . ?
-N4 C16 C17 107.0(2) . . ?
-C18 C17 C16 108.3(2) . . ?
-C18 C17 H17 125.8 . . ?
-C16 C17 H17 125.8 . . ?
-C17 C18 C19 107.6(2) . . ?
-C17 C18 H18 126.2 . . ?
-C19 C18 H18 126.2 . . ?
-N4 C19 C1 111.70(19) . . ?
-N4 C19 C18 108.6(2) . . ?
-C1 C19 C18 139.4(2) . . ?
-C25 C20 C21 116.7(3) . . ?
-C21A C20 C25A 119.3(6) . . ?
-C21A C20 C5 122.7(5) . . ?
-C25 C20 C5 121.2(3) . . ?
-C21 C20 C5 122.1(3) . . ?
-C25A C20 C5 118.0(4) . . ?
-C24 C23 O1 124.9(3) . . ?
-C22A C23 O1 118.3(5) . . ?
-C24 C23 C22 118.9(3) . . ?
-O1 C23 C22 116.2(3) . . ?
-C22A C23 C24A 118.6(7) . . ?
-O1 C23 C24A 123.1(6) . . ?
-C22 C21 C20 121.3(4) . . ?
-C22 C21 H21 119.3 . . ?
-C20 C21 H21 119.3 . . ?
-C21 C22 C23 119.8(4) . . ?
-C21 C22 H22 120.1 . . ?
-C23 C22 H22 120.1 . . ?
-C23 C24 C25 120.6(4) . . ?
-C23 C24 H24 119.7 . . ?
-C25 C24 H24 119.7 . . ?
-C20 C25 C24 122.6(4) . . ?
-C20 C25 H25 118.7 . . ?
-C24 C25 H25 118.7 . . ?
-C20 C21A C22A 120.9(8) . . ?
-C20 C21A H21A 119.6 . . ?
-C22A C21A H21A 119.6 . . ?
-C23 C22A C21A 122.0(8) . . ?
-C23 C22A H22A 119.0 . . ?
-C21A C22A H22A 119.0 . . ?
-C25A C24A C23 119.0(10) . . ?
-C25A C24A H24A 120.5 . . ?
-C23 C24A H24A 120.5 . . ?
-C24A C25A C20 120.1(8) . . ?
-C24A C25A H25A 119.9 . . ?
-C20 C25A H25A 119.9 . . ?
-O1 C26 H26A 109.5 . . ?
-O1 C26 H26B 109.5 . . ?
-H26A C26 H26B 109.5 . . ?
-O1 C26 H26C 109.5 . . ?
-H26A C26 H26C 109.5 . . ?
-H26B C26 H26C 109.5 . . ?
-C28 C27 C32 118.59(19) . . ?
-C28 C27 C10 119.60(19) . . ?
-C32 C27 C10 121.78(19) . . ?
-C27 C28 C29 121.5(2) . . ?
-C27 C28 H28 119.2 . . ?
-C29 C28 H28 119.2 . . ?
-C30 C29 C28 119.1(2) . . ?
-C30 C29 H29 120.4 . . ?
-C28 C29 H29 120.4 . . ?
-O2 C30 C31 116.4(2) . . ?
-O2 C30 C29 123.5(2) . . ?
-C31 C30 C29 120.1(2) . . ?
-C30 C31 C32 120.0(2) . . ?
-C30 C31 H31 120.0 . . ?
-C32 C31 H31 120.0 . . ?
-C31 C32 C27 120.6(2) . . ?
-C31 C32 H32 119.7 . . ?
-C27 C32 H32 119.7 . . ?
-C35 C34 C39 118.3(4) . . ?
-C35 C34 C15 119.2(5) . . ?
-C39 C34 C15 122.5(4) . . ?
-C34 C35 C36 121.7(5) . . ?
-C34 C35 H35 119.2 . . ?
-C36 C35 H35 119.2 . . ?
-C37 C36 C35 118.6(5) . . ?
-C37 C36 H36 120.7 . . ?
-C35 C36 H36 120.7 . . ?
-C38 C37 C36 120.8(4) . . ?
-C38 C37 O3 114.9(4) . . ?
-C36 C37 O3 124.3(5) . . ?
-C37 C38 C39 119.7(4) . . ?
-C37 C38 H38 120.1 . . ?
-C39 C38 H38 120.1 . . ?
-C38 C39 C34 121.0(4) . . ?
-C38 C39 H39 119.5 . . ?
-C34 C39 H39 119.5 . . ?
-C40 O3 C37 122.0(5) . . ?
-O3 C40 H40A 109.5 . . ?
-O3 C40 H40B 109.5 . . ?
-H40A C40 H40B 109.5 . . ?
-O3 C40 H40C 109.5 . . ?
-H40A C40 H40C 109.5 . . ?
-H40B C40 H40C 109.5 . . ?
-C39A C34A C35A 118.0(10) . . ?
-C39A C34A C15 111.3(9) . . ?
-C35A C34A C15 130.6(9) . . ?
-C34A C35A C36A 122.6(11) . . ?
-C34A C35A H35A 118.7 . . ?
-C36A C35A H35A 118.7 . . ?
-C37A C36A C35A 116.5(10) . . ?
-C37A C36A H36A 121.8 . . ?
-C35A C36A H36A 121.8 . . ?
-C38A C37A C36A 122.6(10) . . ?
-C38A C37A O3A 123.6(9) . . ?
-C36A C37A O3A 113.7(9) . . ?
-C37A C38A C39A 119.2(11) . . ?
-C37A C38A H38A 120.4 . . ?
-C39A C38A H38A 120.4 . . ?
-C34A C39A C38A 121.0(11) . . ?
-C34A C39A H39A 119.5 . . ?
-C38A C39A H39A 119.5 . . ?
-C40A O3A C37A 118.6(11) . . ?
-O3A C40A H40D 109.5 . . ?
-O3A C40A H40E 109.5 . . ?
-H40D C40A H40E 109.5 . . ?
-O3A C40A H40F 109.5 . . ?
-H40D C40A H40F 109.5 . . ?
-H40E C40A H40F 109.5 . . ?
-C1 N1 C4 108.02(18) . . ?
-C1 N1 Mo1 118.38(15) . . ?
-C4 N1 Mo1 130.31(14) . . ?
-C6 N2 C9 106.83(17) . . ?
-C6 N2 Mo1 125.96(14) . . ?
-C9 N2 Mo1 123.86(14) . . ?
-C14 N3 C11 106.07(17) . . ?
-C14 N3 Mo1 124.87(14) . . ?
-C11 N3 Mo1 122.80(14) . . ?
-C19 N4 C16 108.37(18) . . ?
-C19 N4 Mo1 119.20(15) . . ?
-C16 N4 Mo1 131.29(15) . . ?
-C23 O1 C26 118.6(2) . . ?
-N4 Mo1 N1 72.59(7) . . ?
-N4 Mo1 N2 131.69(8) . . ?
-N1 Mo1 N2 80.08(7) . . ?
-N4 Mo1 N3 80.07(7) . . ?
-N1 Mo1 N3 125.12(7) . . ?
-N2 Mo1 N3 84.41(7) . . ?
-N4 Mo1 Cl2 90.59(6) . . ?
-N1 Mo1 Cl2 143.43(6) . . ?
-N2 Mo1 Cl2 131.81(5) . . ?
-N3 Mo1 Cl2 81.42(5) . . ?
-N4 Mo1 Cl1 126.90(6) . . ?
-N1 Mo1 Cl1 83.08(5) . . ?
-N2 Mo1 Cl1 86.95(5) . . ?
-N3 Mo1 Cl1 148.19(5) . . ?
-Cl2 Mo1 Cl1 81.78(2) . . ?
-C30 O2 C33 115.85(18) . . ?
-O2 C33 H33A 109.5 . . ?
-O2 C33 H33B 109.5 . . ?
-H33A C33 H33B 109.5 . . ?
-O2 C33 H33C 109.5 . . ?
-H33A C33 H33C 109.5 . . ?
-H33B C33 H33C 109.5 . . ?
-
-loop_
-_geom_torsion_atom_site_label_1
-_geom_torsion_atom_site_label_2
-_geom_torsion_atom_site_label_3
-_geom_torsion_atom_site_label_4
-_geom_torsion
-_geom_torsion_site_symmetry_1
-_geom_torsion_site_symmetry_2
-_geom_torsion_site_symmetry_3
-_geom_torsion_site_symmetry_4
-_geom_torsion_publ_flag
-N1 C1 C2 C3 -0.4(3) . . . . ?
-C19 C1 C2 C3 -178.5(3) . . . . ?
-C1 C2 C3 C4 1.1(3) . . . . ?
-C2 C3 C4 C5 171.9(2) . . . . ?
-C2 C3 C4 N1 -1.4(3) . . . . ?
-N1 C4 C5 C6 3.3(3) . . . . ?
-C3 C4 C5 C6 -169.3(2) . . . . ?
-N1 C4 C5 C20 -179.5(2) . . . . ?
-C3 C4 C5 C20 8.0(4) . . . . ?
-C4 C5 C6 N2 -3.4(4) . . . . ?
-C20 C5 C6 N2 179.2(2) . . . . ?
-C4 C5 C6 C7 171.2(2) . . . . ?
-C20 C5 C6 C7 -6.1(3) . . . . ?
-N2 C6 C7 C8 1.3(3) . . . . ?
-C5 C6 C7 C8 -174.1(2) . . . . ?
-C6 C7 C8 C9 -0.6(3) . . . . ?
-C7 C8 C9 C10 174.8(2) . . . . ?
-C7 C8 C9 N2 -0.4(3) . . . . ?
-N2 C9 C10 C11 3.8(3) . . . . ?
-C8 C9 C10 C11 -170.6(2) . . . . ?
-N2 C9 C10 C27 179.67(19) . . . . ?
-C8 C9 C10 C27 5.3(3) . . . . ?
-C9 C10 C11 N3 -2.3(3) . . . . ?
-C27 C10 C11 N3 -178.20(19) . . . . ?
-C9 C10 C11 C12 176.7(2) . . . . ?
-C27 C10 C11 C12 0.8(3) . . . . ?
-C10 C11 C12 C13 -178.6(2) . . . . ?
-N3 C11 C12 C13 0.6(3) . . . . ?
-C11 C12 C13 C14 -0.6(3) . . . . ?
-C12 C13 C14 N3 0.5(3) . . . . ?
-C12 C13 C14 C15 -179.8(2) . . . . ?
-N3 C14 C15 C16 2.9(4) . . . . ?
-C13 C14 C15 C16 -176.8(3) . . . . ?
-N3 C14 C15 C34 -173.4(3) . . . . ?
-C13 C14 C15 C34 6.9(4) . . . . ?
-N3 C14 C15 C34A 159.6(5) . . . . ?
-C13 C14 C15 C34A -20.1(6) . . . . ?
-C14 C15 C16 N4 -5.1(4) . . . . ?
-C34 C15 C16 N4 171.1(3) . . . . ?
-C34A C15 C16 N4 -162.5(5) . . . . ?
-C14 C15 C16 C17 161.9(3) . . . . ?
-C34 C15 C16 C17 -21.8(5) . . . . ?
-C34A C15 C16 C17 4.5(6) . . . . ?
-C15 C16 C17 C18 -165.7(3) . . . . ?
-N4 C16 C17 C18 2.7(3) . . . . ?
-C16 C17 C18 C19 -1.0(4) . . . . ?
-N1 C1 C19 N4 1.2(3) . . . . ?
-C2 C1 C19 N4 179.3(3) . . . . ?
-N1 C1 C19 C18 -171.5(3) . . . . ?
-C2 C1 C19 C18 6.7(6) . . . . ?
-C17 C18 C19 N4 -1.0(3) . . . . ?
-C17 C18 C19 C1 171.8(3) . . . . ?
-C4 C5 C20 C21A -66.1(6) . . . . ?
-C6 C5 C20 C21A 111.2(6) . . . . ?
-C4 C5 C20 C25 75.3(4) . . . . ?
-C6 C5 C20 C25 -107.3(4) . . . . ?
-C4 C5 C20 C21 -104.8(4) . . . . ?
-C6 C5 C20 C21 72.5(4) . . . . ?
-C4 C5 C20 C25A 115.2(5) . . . . ?
-C6 C5 C20 C25A -67.4(5) . . . . ?
-C25 C20 C21 C22 -0.2(7) . . . . ?
-C5 C20 C21 C22 180.0(4) . . . . ?
-C20 C21 C22 C23 3.2(8) . . . . ?
-C24 C23 C22 C21 -3.0(8) . . . . ?
-O1 C23 C22 C21 179.2(4) . . . . ?
-O1 C23 C24 C25 177.4(5) . . . . ?
-C22 C23 C24 C25 -0.2(9) . . . . ?
-C21 C20 C25 C24 -3.1(8) . . . . ?
-C5 C20 C25 C24 176.8(5) . . . . ?
-C23 C24 C25 C20 3.3(10) . . . . ?
-C25A C20 C21A C22A -2.3(12) . . . . ?
-C5 C20 C21A C22A 179.1(7) . . . . ?
-O1 C23 C22A C21A 176.4(7) . . . . ?
-C24A C23 C22A C21A -3.1(13) . . . . ?
-C20 C21A C22A C23 2.8(14) . . . . ?
-C22A C23 C24A C25A 3.2(12) . . . . ?
-O1 C23 C24A C25A -176.4(6) . . . . ?
-C23 C24A C25A C20 -2.8(13) . . . . ?
-C21A C20 C25A C24A 2.4(11) . . . . ?
-C5 C20 C25A C24A -178.9(7) . . . . ?
-C11 C10 C27 C28 59.6(3) . . . . ?
-C9 C10 C27 C28 -116.5(2) . . . . ?
-C11 C10 C27 C32 -118.4(2) . . . . ?
-C9 C10 C27 C32 65.4(3) . . . . ?
-C32 C27 C28 C29 1.8(3) . . . . ?
-C10 C27 C28 C29 -176.3(2) . . . . ?
-C27 C28 C29 C30 0.4(3) . . . . ?
-C28 C29 C30 O2 177.0(2) . . . . ?
-C28 C29 C30 C31 -2.4(4) . . . . ?
-O2 C30 C31 C32 -177.3(2) . . . . ?
-C29 C30 C31 C32 2.1(4) . . . . ?
-C30 C31 C32 C27 0.2(4) . . . . ?
-C28 C27 C32 C31 -2.1(4) . . . . ?
-C10 C27 C32 C31 176.0(2) . . . . ?
-C16 C15 C34 C35 108.9(5) . . . . ?
-C14 C15 C34 C35 -74.7(5) . . . . ?
-C16 C15 C34 C39 -72.0(5) . . . . ?
-C14 C15 C34 C39 104.4(5) . . . . ?
-C39 C34 C35 C36 -0.7(9) . . . . ?
-C15 C34 C35 C36 178.5(6) . . . . ?
-C34 C35 C36 C37 1.4(11) . . . . ?
-C35 C36 C37 C38 -1.6(11) . . . . ?
-C35 C36 C37 O3 -179.8(6) . . . . ?
-C36 C37 C38 C39 1.2(8) . . . . ?
-O3 C37 C38 C39 179.5(4) . . . . ?
-C37 C38 C39 C34 -0.4(6) . . . . ?
-C35 C34 C39 C38 0.2(7) . . . . ?
-C15 C34 C39 C38 -178.9(3) . . . . ?
-C38 C37 O3 C40 169.2(6) . . . . ?
-C36 C37 O3 C40 -12.5(10) . . . . ?
-C16 C15 C34A C39A -91.3(11) . . . . ?
-C14 C15 C34A C39A 110.6(10) . . . . ?
-C16 C15 C34A C35A 91.7(14) . . . . ?
-C14 C15 C34A C35A -66.5(15) . . . . ?
-C39A C34A C35A C36A -2(2) . . . . ?
-C15 C34A C35A C36A 174.6(13) . . . . ?
-C34A C35A C36A C37A 2(3) . . . . ?
-C35A C36A C37A C38A -2(2) . . . . ?
-C35A C36A C37A O3A -178.4(14) . . . . ?
-C36A C37A C38A C39A 2(3) . . . . ?
-O3A C37A C38A C39A 178.0(14) . . . . ?
-C35A C34A C39A C38A 2(2) . . . . ?
-C15 C34A C39A C38A -175.3(14) . . . . ?
-C37A C38A C39A C34A -2(3) . . . . ?
-C38A C37A O3A C40A -60(2) . . . . ?
-C36A C37A O3A C40A 116.6(17) . . . . ?
-C19 C1 N1 C4 178.2(2) . . . . ?
-C2 C1 N1 C4 -0.5(3) . . . . ?
-C19 C1 N1 Mo1 -20.2(3) . . . . ?
-C2 C1 N1 Mo1 161.11(16) . . . . ?
-C5 C4 N1 C1 -173.0(2) . . . . ?
-C3 C4 N1 C1 1.2(3) . . . . ?
-C5 C4 N1 Mo1 28.3(3) . . . . ?
-C3 C4 N1 Mo1 -157.50(16) . . . . ?
-C5 C6 N2 C9 173.9(2) . . . . ?
-C7 C6 N2 C9 -1.5(2) . . . . ?
-C5 C6 N2 Mo1 -26.3(3) . . . . ?
-C7 C6 N2 Mo1 158.28(15) . . . . ?
-C10 C9 N2 C6 -174.1(2) . . . . ?
-C8 C9 N2 C6 1.2(2) . . . . ?
-C10 C9 N2 Mo1 25.6(3) . . . . ?
-C8 C9 N2 Mo1 -159.17(15) . . . . ?
-C15 C14 N3 C11 -179.9(2) . . . . ?
-C13 C14 N3 C11 -0.1(2) . . . . ?
-C15 C14 N3 Mo1 27.5(3) . . . . ?
-C13 C14 N3 Mo1 -152.73(16) . . . . ?
-C10 C11 N3 C14 178.9(2) . . . . ?
-C12 C11 N3 C14 -0.3(2) . . . . ?
-C10 C11 N3 Mo1 -27.8(3) . . . . ?
-C12 C11 N3 Mo1 153.05(15) . . . . ?
-C1 C19 N4 C16 -172.2(2) . . . . ?
-C18 C19 N4 C16 2.8(3) . . . . ?
-C1 C19 N4 Mo1 18.6(3) . . . . ?
-C18 C19 N4 Mo1 -166.38(19) . . . . ?
-C15 C16 N4 C19 166.4(2) . . . . ?
-C17 C16 N4 C19 -3.4(3) . . . . ?
-C15 C16 N4 Mo1 -26.2(4) . . . . ?
-C17 C16 N4 Mo1 164.02(19) . . . . ?
-C24 C23 O1 C26 7.9(6) . . . . ?
-C22A C23 O1 C26 149.1(6) . . . . ?
-C22 C23 O1 C26 -174.4(4) . . . . ?
-C24A C23 O1 C26 -31.3(6) . . . . ?
-C31 C30 O2 C33 179.4(2) . . . . ?
-C29 C30 O2 C33 0.0(4) . . . . ?
-
-_refine_diff_density_max         0.502
-_refine_diff_density_min         -0.407
-_refine_diff_density_rms         0.063
-
-_shelx_res_file                  
-;
-
-    shelx.res created by SHELXL-2014/7
-
-TITL ps14bw in P1
-CELL  0.71073   8.1707  15.1621  16.4378   66.783   87.110   88.224
-ZERR     2.00   0.0005   0.0007   0.0009    0.005    0.005    0.004
-LATT   1
-SFAC  C    H    N    O    CL   MO
-UNIT  80 58 8 6 4 2
-MERG   2
-OMIT    -2.00  54.00
-eadp c40 c40a
-isor 0.005  C40 c40a
-FMAP   2
-PLAN   10
-ACTA
-BOND
-BOND   $H
-CONF
-L.S.   4
-TEMP  -173.00
-WGHT    0.032800    1.117200
-FVAR      43.03525   0.71253
-C1    1    0.423601    0.435920    0.382628    11.00000    0.01611    0.04494 =
-         0.03620   -0.02568    0.00212    0.00021
-C2    1    0.354208    0.512406    0.402670    11.00000    0.02256    0.05356 =
-         0.04102   -0.03091    0.00306    0.00662
-AFIX  43
-H2    2    0.246707    0.514748    0.426663    11.00000   -1.20000
-AFIX   0
-C3    1    0.469138    0.581564    0.381373    11.00000    0.02982    0.04121 =
-         0.03122   -0.02503   -0.00190    0.00887
-AFIX  43
-H3    2    0.456704    0.640503    0.388772    11.00000   -1.20000
-AFIX   0
-C4    1    0.612568    0.550272    0.345774    11.00000    0.02456    0.03253 =
-         0.02535   -0.01837   -0.00385    0.00607
-C5    1    0.755233    0.597322    0.305695    11.00000    0.02706    0.02953 =
-         0.02365   -0.01556   -0.00587    0.00349
-C6    1    0.870739    0.557544    0.262006    11.00000    0.02446    0.03001 =
-         0.02414   -0.01581   -0.00168   -0.00090
-C7    1    1.009667    0.604758    0.209125    11.00000    0.02730    0.03274 =
-         0.03133   -0.01814    0.00025   -0.00892
-AFIX  43
-H7    2    1.046874    0.666512    0.201074    11.00000   -1.20000
-AFIX   0
-C8    1    1.080303    0.546268    0.171973    11.00000    0.01977    0.03684 =
-         0.02717   -0.01543    0.00157   -0.00532
-AFIX  43
-H8    2    1.174740    0.560264    0.133085    11.00000   -1.20000
-AFIX   0
-C9    1    0.988375    0.460971    0.201443    11.00000    0.01831    0.02989 =
-         0.01962   -0.01237    0.00016   -0.00017
-C10   1    1.011002    0.384936    0.174052    11.00000    0.01846    0.02773 =
-         0.01422   -0.00723    0.00024    0.00316
-C11   1    0.902392    0.309120    0.196028    11.00000    0.02257    0.02372 =
-         0.01973   -0.00849    0.00210    0.00274
-C12   1    0.913692    0.232294    0.167050    11.00000    0.03486    0.02565 =
-         0.02780   -0.01297    0.00848    0.00225
-AFIX  43
-H12   2    0.998615    0.222348    0.129806    11.00000   -1.20000
-AFIX   0
-C13   1    0.781351    0.175632    0.202132    11.00000    0.04015    0.02502 =
-         0.03406   -0.01600    0.00768   -0.00217
-AFIX  43
-H13   2    0.756787    0.119291    0.193296    11.00000   -1.20000
-AFIX   0
-C14   1    0.686158    0.215357    0.254322    11.00000    0.02765    0.02571 =
-         0.02829   -0.01317    0.00308   -0.00155
-C15   1    0.539310    0.177259    0.301954    11.00000    0.03099    0.03612 =
-         0.03905   -0.02132    0.00794   -0.00861
-C16   1    0.449915    0.222622    0.347668    11.00000    0.02422    0.04157 =
-         0.04252   -0.02549    0.00845   -0.01029
-C17   1    0.283356    0.211950    0.380447    11.00000    0.02848    0.06349 =
-         0.06802   -0.04465    0.01915   -0.02023
-AFIX  43
-H17   2    0.213628    0.160664    0.386168    11.00000   -1.20000
-AFIX   0
-C18   1    0.241391    0.288218    0.402200    11.00000    0.02080    0.06816 =
-         0.07043   -0.04750    0.01536   -0.01386
-AFIX  43
-H18   2    0.137276    0.299822    0.424758    11.00000   -1.20000
-AFIX   0
-C19   1    0.380598    0.346462    0.385081    11.00000    0.01910    0.04728 =
-         0.04065   -0.02817    0.00716   -0.00144
-C20   1    0.787057    0.694164    0.304266    11.00000    0.03190    0.02927 =
-         0.02706   -0.01588   -0.00284    0.00238
-C23   1    0.856159    0.873776    0.304034    11.00000    0.05379    0.02531 =
-         0.03235   -0.01492   -0.00775    0.00353
-PART    1
-C21   1    0.771487    0.777804    0.227817    21.00000    0.06999    0.03928 =
-         0.03242   -0.01886   -0.01474   -0.00589
-AFIX  43
-H21   2    0.739623    0.773224    0.174844    21.00000   -1.20000
-AFIX   0
-C22   1    0.801335    0.866516    0.227736    21.00000    0.07627    0.03162 =
-         0.02976   -0.00821   -0.01942   -0.00012
-AFIX  43
-H22   2    0.784760    0.922783    0.175961    21.00000   -1.20000
-AFIX   0
-C24   1    0.871438    0.793985    0.377111    21.00000    0.14189    0.02964 =
-         0.03722   -0.01834   -0.04157    0.00572
-AFIX  43
-H24   2    0.908851    0.797940    0.429347    21.00000   -1.20000
-AFIX   0
-C25   1    0.833077    0.705153    0.377435    21.00000    0.11625    0.02699 =
-         0.03326   -0.01154   -0.02968    0.00243
-AFIX  43
-H25   2    0.839490    0.650033    0.431233    21.00000   -1.20000
-AFIX   0
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-C21A  1    0.696328    0.771536    0.259481   -21.00000    0.02175    0.03424 =
-         0.02226   -0.01585   -0.00558    0.00851
-AFIX  43
-H21A  2    0.608524    0.765740    0.226229   -21.00000   -1.20000
-AFIX   0
-C22A  1    0.728904    0.860612    0.260947   -21.00000    0.04861    0.02686 =
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-AFIX  43
-H22A  2    0.659357    0.913684    0.230675   -21.00000   -1.20000
-AFIX   0
-C24A  1    0.956537    0.791453    0.353794   -21.00000    0.03366    0.03781 =
-         0.02932   -0.01865   -0.00518    0.01122
-AFIX  43
-H24A  2    1.043549    0.797906    0.387196   -21.00000   -1.20000
-AFIX   0
-C25A  1    0.924122    0.704217    0.351962   -21.00000    0.02700    0.02520 =
-         0.02383   -0.01759   -0.00051    0.00643
-AFIX  43
-H25A  2    0.991908    0.650212    0.382115   -21.00000   -1.20000
-AFIX   0
-PART    0
-C26   1    0.954139    0.975392    0.370337    11.00000    0.11957    0.03331 =
-         0.05286   -0.02506   -0.03380    0.00276
-AFIX 137
-H26A  2    0.879774    0.949268    0.422703    11.00000   -1.50000
-H26B  2    0.971354    1.043706    0.355828    11.00000   -1.50000
-H26C  2    1.059438    0.940940    0.382646    11.00000   -1.50000
-AFIX   0
-C27   1    1.154156    0.387497    0.112633    11.00000    0.02220    0.02454 =
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-C28   1    1.127324    0.392128    0.028729    11.00000    0.02072    0.03012 =
-         0.02029   -0.01087   -0.00074    0.00134
-AFIX  43
-H28   2    1.018173    0.397454    0.009793    11.00000   -1.20000
-AFIX   0
-C29   1    1.256511    0.389172   -0.028718    11.00000    0.02527    0.03595 =
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-AFIX  43
-H29   2    1.235922    0.392884   -0.086354    11.00000   -1.20000
-AFIX   0
-C30   1    1.415789    0.380732   -0.000673    11.00000    0.02176    0.03692 =
-         0.02496   -0.01650    0.00642   -0.00152
-C31   1    1.445424    0.378954    0.082276    11.00000    0.02114    0.05129 =
-         0.02680   -0.01937   -0.00250    0.00356
-AFIX  43
-H31   2    1.554762    0.375349    0.100558    11.00000   -1.20000
-AFIX   0
-C32   1    1.315244    0.382445    0.138601    11.00000    0.02355    0.04632 =
-         0.01839   -0.01497   -0.00110    0.00231
-AFIX  43
-H32   2    1.336067    0.381383    0.195322    11.00000   -1.20000
-AFIX   0
-PART    1
-C34   1    0.486581    0.080827    0.306393    21.00000    0.02285    0.02586 =
-         0.04144   -0.01740   -0.00185   -0.00173
-C35   1    0.423366    0.074917    0.233696    21.00000    0.11749    0.02735 =
-         0.06636   -0.01362   -0.05260    0.00045
-AFIX  43
-H35   2    0.411005    0.131788    0.181933    21.00000   -1.20000
-AFIX   0
-C36   1    0.376140   -0.012789    0.233283    21.00000    0.14784    0.04015 =
-         0.07719   -0.01870   -0.06587   -0.01154
-AFIX  43
-H36   2    0.334458   -0.015988    0.181609    21.00000   -1.20000
-AFIX   0
-C37   1    0.391337   -0.094408    0.309359    21.00000    0.05703    0.02773 =
-         0.05931   -0.02244   -0.01799   -0.00341
-C38   1    0.454899   -0.090288    0.382835    21.00000    0.04045    0.03259 =
-         0.03391   -0.01115    0.00711   -0.00849
-AFIX  43
-H38   2    0.466778   -0.147160    0.434649    21.00000   -1.20000
-AFIX   0
-C39   1    0.502070   -0.002886    0.381639    21.00000    0.04217    0.03252 =
-         0.02691   -0.01167    0.00591   -0.01286
-AFIX  43
-H39   2    0.545684   -0.000173    0.433083    21.00000   -1.20000
-AFIX   0
-O3    4    0.349495   -0.185278    0.317572    21.00000    0.08598    0.03361 =
-         0.07314   -0.02701   -0.03032   -0.00442
-C40   1    0.264702   -0.199168    0.258814    21.00000    0.10015    0.04863 =
-         0.15354   -0.05197   -0.04558   -0.01158
-AFIX 137
-H40A  2    0.177931   -0.245405    0.288832    21.00000   -1.50000
-H40B  2    0.336848   -0.224341    0.223326    21.00000   -1.50000
-H40C  2    0.215484   -0.138215    0.220044    21.00000   -1.50000
-AFIX   0
-PART    2
-same c34 > c40
-C34A  1    0.442537    0.107515    0.275826   -21.00000    0.02378    0.02643 =
-         0.02456   -0.00867    0.00753    0.00271
-C35A  1    0.362625    0.122315    0.200914   -21.00000    0.14510    0.01817 =
-         0.07872    0.00361   -0.07843   -0.02300
-AFIX  43
-H35A  2    0.354617    0.185812    0.157236   -21.00000   -1.20000
-AFIX   0
-C36A  1    0.291152    0.047216    0.185439   -21.00000    0.12662    0.03244 =
-         0.09715   -0.00314   -0.07514   -0.02171
-AFIX  43
-H36A  2    0.238779    0.058238    0.131923   -21.00000   -1.20000
-AFIX   0
-C37A  1    0.301130   -0.041826    0.251149   -21.00000    0.02979    0.02165 =
-         0.05524   -0.01082    0.00676   -0.00576
-C38A  1    0.377920   -0.059149    0.325542   -21.00000    0.10914    0.02883 =
-         0.06548   -0.00514   -0.03408   -0.02974
-AFIX  43
-H38A  2    0.385345   -0.122611    0.369341   -21.00000   -1.20000
-AFIX   0
-C39A  1    0.447938    0.017677    0.338501   -21.00000    0.13445    0.04283 =
-         0.03265   -0.00173   -0.04444   -0.01577
-AFIX  43
-H39A  2    0.499824    0.006003    0.392287   -21.00000   -1.20000
-AFIX   0
-O3A   4    0.231353   -0.114030    0.230692   -21.00000    0.08688    0.02915 =
-         0.08872   -0.02104   -0.04001   -0.00111
-C40A  1    0.330111   -0.185068    0.225094   -21.00000    0.10015    0.04863 =
-         0.15354   -0.05197   -0.04558   -0.01158
-AFIX 137
-H40D  2    0.399382   -0.159708    0.170643   -21.00000   -1.50000
-H40E  2    0.262877   -0.237035    0.224131   -21.00000   -1.50000
-H40F  2    0.399491   -0.209834    0.276462   -21.00000   -1.50000
-AFIX   0
-PART    0
-N1    3    0.580584    0.459504    0.348609    11.00000    0.01648    0.03457 =
-         0.02754   -0.01836    0.00062    0.00156
-N2    3    0.859688    0.467773    0.258163    11.00000    0.01944    0.02923 =
-         0.02218   -0.01577    0.00222   -0.00132
-N3    3    0.760468    0.298012    0.250650    11.00000    0.02027    0.02367 =
-         0.02304   -0.01145    0.00362    0.00005
-N4    3    0.507905    0.304452    0.354365    11.00000    0.01889    0.03662 =
-         0.03244   -0.02171    0.00601   -0.00390
-O1    4    0.884839    0.964255    0.298133    11.00000    0.08155    0.02416 =
-         0.04493   -0.01584   -0.02259    0.00459
-CL1   5    0.864645    0.385573    0.459991    11.00000    0.03592    0.04411 =
-         0.03100   -0.02507   -0.01155    0.01383
-CL2   5    0.828174    0.193925    0.436608    11.00000    0.03614    0.02823 =
-         0.03083   -0.00645   -0.00425   -0.00402
-MO1   6    0.738093    0.351571    0.349111    11.00000    0.01474    0.02803 =
-         0.02056   -0.01306    0.00279   -0.00049
-O2    4    1.550573    0.372928   -0.050833    11.00000    0.02232    0.06632 =
-         0.03417   -0.03291    0.00865   -0.00584
-C33   1    1.518409    0.373897   -0.135617    11.00000    0.02936    0.11138 =
-         0.05143   -0.06355    0.01807   -0.02320
-AFIX 137
-H33A  2    1.441984    0.322552   -0.128469    11.00000   -1.50000
-H33B  2    1.621157    0.363800   -0.164352    11.00000   -1.50000
-H33C  2    1.469974    0.436005   -0.172317    11.00000   -1.50000
-AFIX   0
-HKLF    4
-
-REM  ps14bw in P1
-REM R1 =  0.0333 for    6944 Fo > 4sig(Fo)  and  0.0427 for all    8161 data
-REM    558 parameters refined using     29 restraints
-
-END
-
-WGHT      0.0328      1.1203
-
-REM Highest difference peak  0.502,  deepest hole -0.407,  1-sigma level  0.063
-Q1    1   0.2153 -0.2060  0.3188  11.00000  0.05    0.50
-Q2    1   0.7715  0.4131  0.3519  11.00000  0.05    0.43
-Q3    1   0.7785  0.9469  0.3086  11.00000  0.05    0.42
-Q4    1   0.6478  0.4095  0.3530  11.00000  0.05    0.35
-Q5    1   0.7569  0.8593  0.3169  11.00000  0.05    0.35
-Q6    1   0.7602  0.2212  0.4628  11.00000  0.05    0.35
-Q7    1   0.7966  0.3488  0.4641  11.00000  0.05    0.35
-Q8    1   0.7903  0.3164  0.4082  11.00000  0.05    0.34
-Q9    1   1.0883  0.3817  0.1470  11.00000  0.05    0.34
-Q10   1   0.8214  0.2504  0.4434  11.00000  0.05    0.33
-;
-_shelx_res_checksum              49217
-
-_shelx_hkl_file                  
-;
- -10  -6  -4  158574   73675                                                      182691    0.72    0.00  1.0000
- -10  -6  -3  456357  106024                                                      411001    0.85    0.00  1.0000
- -10  -6  -3  425261   97398                                                      381518    0.85    0.00  1.0000
- -10  -5  -6    3095   60161                                                        2188   -0.22    0.00  1.0000
- -10  -5  -6      78   46457                                                      -49253   -0.22    0.00  1.0000
- -10  -5  -5  440083  101913                                                      443709    0.07    0.00  1.0000
- -10  -5  -5  551412  100596                                                      555470    0.07    0.00  1.0000
- -10  -5  -4  603119  113264                                                      580341    0.36    0.00  1.0000
- -10  -5  -4  468513   90027                                                      448463    0.36    0.00  1.0000
- -10  -5  -3   86420   58663                                                      100526    0.57    0.00  1.0000
- -10  -5  -2   13306   54984                                                       19803    0.63    0.00  1.0000
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- -10  -5   0  145739   73659                                                      159351    0.43    0.00  1.0000
- -10  -5   0  239745   83182                                                      257118    0.43    0.00  1.0000
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- -10  -4  -3  120788   69416                                                      129405    0.30    0.00  1.0000
- -10  -4  -3   42199   38930                                                       47353    0.30    0.00  1.0000
- -10  -4  -2   88330   46056                                                       78548    0.42    0.00  1.0000
- -10  -4  -1  452183  103208                                                      476394    0.44    0.00  1.0000
- -10  -4   0  308453   87189                                                      326142    0.39    0.00  1.0000
- -10  -4   1  541375  106708                                                      522673    0.32    0.00  1.0000
- -10  -4   1  828192  134331                                                      805021    0.32    0.00  1.0000
- -10  -3  -7  442386   92872                                                      443050    0.01    0.00  1.0000
- -10  -3  -7  505362  101193                                                      506072    0.01    0.00  1.0000
- -10  -3  -6 1810699  175642                                                     1806100    0.04    0.00  1.0000
- -10  -3  -6 1872282  186531                                                     1867606    0.04    0.00  1.0000
- -10  -3  -5  339248   84140                                                      344970    0.12    0.00  1.0000
- -10  -3  -5  557166  108787                                                      564492    0.12    0.00  1.0000
- -10  -3  -4   23502   55434                                                       26810    0.26    0.00  1.0000
- -10  -3  -4  125402   64891                                                      132901    0.26    0.00  1.0000
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- -10  -3  -2  177185   70629                                                      196617    0.55    0.00  1.0000
- -10  -3  -1  297783   84268                                                      272326    0.59    0.00  1.0000
- -10  -3   0  334699   86759                                                      311512    0.50    0.00  1.0000
- -10  -3   1  214482   78832                                                      227483    0.34    0.00  1.0000
- -10  -3   2   29821   49565                                                       27360    0.18    0.00  1.0000
- -10  -3   2   31796   46451                                                       29254    0.18    0.00  1.0000
- -10  -2  -6  711615  118893                                                      726034    0.21    0.00  1.0000
- -10  -2  -6  628843  112857                                                      642403    0.21    0.00  1.0000
- -10  -2  -5  163753   72889                                                      173534    0.29    0.00  1.0000
- -10  -2  -5  332898   82276                                                      346784    0.29    0.00  1.0000
- -10  -2  -4 1776322  176601                                                     1731742    0.41    0.00  1.0000
- -10  -2  -4 1420651  150932                                                     1380813    0.41    0.00  1.0000
- -10  -2  -3  822183  120242                                                      864418    0.56    0.00  1.0000
- -10  -2  -3  938200  138017                                                      983280    0.56    0.00  1.0000
- -10  -2  -2   10513   40564                                                        5507    0.70    0.00  1.0000
- -10  -2  -2     802   49602                                                      -20492    0.70    0.00  1.0000
- -10  -2  -1     860   49017                                                       -6664    0.72    0.00  1.0000
- -10  -2  -1     860   47832                                                      -20916    0.72    0.00  1.0000
- -10  -2   0 1025031  143793                                                     1073007    0.58    0.00  1.0000
- -10  -2   1   36882   55054                                                       41301    0.27    0.00  1.0000
- -10  -2   2  528222  108452                                                      532940   -0.08    0.00  1.0000
- -10  -2   3 1091167  144217                                                     1061949   -0.35    0.00  1.0000
- -10  -1  -6   48707   56582                                                       49286   -0.03    0.00  1.0000
- -10  -1  -6       2   59828                                                      -12437   -0.03    0.00  1.0000
- -10  -1  -5 1245248  149568                                                     1237957    0.08    0.00  1.0000
- -10  -1  -5 1680241  169659                                                     1671770    0.08    0.00  1.0000
- -10  -1  -4 1466214  158417                                                     1487650    0.22    0.00  1.0000
- -10  -1  -4 1630610  170256                                                     1653212    0.22    0.00  1.0000
- -10  -1  -3  122134   68433                                                      132683    0.36    0.00  1.0000
- -10  -1  -3     218   49587                                                       -7580    0.36    0.00  1.0000
- -10  -1  -2  588347  104827                                                      558681    0.48    0.00  1.0000
- -10  -1  -2  471177   85442                                                      444669    0.48    0.00  1.0000
- -10  -1  -1  333452   80340                                                      357399    0.50    0.00  1.0000
- -10  -1  -1  319808   88577                                                      343268    0.50    0.00  1.0000
- -10  -1   0   29207   56648                                                       24543    0.35    0.00  1.0000
- -10  -1   0   12021   39870                                                        9101    0.35    0.00  1.0000
- -10  -1   1  430226   97831                                                      429496    0.01    0.00  1.0000
- -10  -1   2 1160775  150847                                                     1123898   -0.42    0.00  1.0000
- -10  -1   3   79373   54101                                                       98920   -0.81    0.00  1.0000
- -10  -1   4  341419  100092                                                      389769   -0.98    0.00  1.0000
- -10   0  -6  414819   95940                                                      439140   -0.46    0.00  1.0000
- -10   0  -6  291335   91600                                                      311774   -0.46    0.00  1.0000
- -10   0  -5 1080907  140856                                                     1050338   -0.36    0.00  1.0000
- -10   0  -5 1191939  147665                                                     1159828   -0.36    0.00  1.0000
- -10   0  -4   71808   59977                                                       67400   -0.21    0.00  1.0000
- -10   0  -4      70   60191                                                      -65447   -0.21    0.00  1.0000
- -10   0  -3 1654649  167115                                                     1656851   -0.02    0.00  1.0000
- -10   0  -3 1884839  187864                                                     1887190   -0.02    0.00  1.0000
- -10   0  -2   54704   50362                                                       57461    0.14    0.00  1.0000
- -10   0  -2   89999   55985                                                       93527    0.14    0.00  1.0000
- -10   0  -1   45228   47068                                                       49296    0.23    0.00  1.0000
- -10   0  -1  131208   67099                                                      138076    0.23    0.00  1.0000
- -10   0   0  813059  109904                                                      799999    0.18    0.00  1.0000
- -10   0   0  802672  126398                                                      789695    0.18    0.00  1.0000
- -10   0   1  761382  120543                                                      758858   -0.04    0.00  1.0000
- -10   0   1  751867  106622                                                      749359   -0.04    0.00  1.0000
- -10   0   2  660534  121568                                                      685367   -0.37    0.00  1.0000
- -10   0   3  229571   76088                                                      258525   -0.72    0.00  1.0000
- -10   0   4  481971   93712                                                      429893   -0.95    0.00  1.0000
- -10   1  -5  288400   89359                                                      321884   -0.74    0.00  1.0000
- -10   1  -5  229990   81323                                                      259991   -0.74    0.00  1.0000
- -10   1  -4  198431   72820                                                      222366   -0.64    0.00  1.0000
- -10   1  -4  273599   79266                                                      301587   -0.64    0.00  1.0000
- -10   1  -3  776442  115824                                                      746416   -0.42    0.00  1.0000
- -10   1  -3  822505  123618                                                      791592   -0.42    0.00  1.0000
- -10   1  -2  115973   60158                                                      111994   -0.14    0.00  1.0000
- -10   1  -2  253780   77626                                                      247876   -0.14    0.00  1.0000
- -10   1  -1  760507  114887                                                      751922    0.12    0.00  1.0000
- -10   1  -1  690208  117964                                                      682030    0.12    0.00  1.0000
- -10   1   0 1934009  172820                                                     1969073    0.31    0.00  1.0000
- -10   1   0 1947364  189119                                                     1982548    0.31    0.00  1.0000
- -10   1   1   44414   50998                                                       38303    0.37    0.00  1.0000
- -10   1   1  103133   65862                                                       93704    0.37    0.00  1.0000
- -10   1   2  180849   74984                                                      170615    0.30    0.00  1.0000
- -10   1   2     149   41490                                                       -4769    0.30    0.00  1.0000
- -10   1   3 1311511  159734                                                     1323919    0.13    0.00  1.0000
- -10   1   4  839194  130936                                                      843847   -0.06    0.00  1.0000
- -10   2  -4  337654   81786                                                      299257   -0.84    0.00  1.0000
- -10   2  -4  249304   77148                                                      216473   -0.84    0.00  1.0000
- -10   2  -3     780   62079                                                      -70280   -0.69    0.00  1.0000
- -10   2  -3     780   43530                                                      -20576   -0.69    0.00  1.0000
- -10   2  -2  272899   77678                                                      289125   -0.38    0.00  1.0000
- -10   2  -2  517769  107600                                                      540031   -0.38    0.00  1.0000
- -10   2  -1  362284   86022                                                      363236    0.02    0.00  1.0000
- -10   2  -1  406652   92877                                                      407661    0.02    0.00  1.0000
- -10   2   0  106367   66513                                                       95565    0.42    0.00  1.0000
- -10   2   0  110070   54193                                                       99076    0.42    0.00  1.0000
- -10   2   1 1731982  175238                                                     1652785    0.75    0.00  1.0000
- -10   2   1 1442214  145598                                                     1370026    0.75    0.00  1.0000
- -10   2   2 1275868  160597                                                     1365659    0.96    0.00  1.0000
- -10   2   2 1261383  141768                                                     1350671    0.96    0.00  1.0000
- -10   2   3  576170   89181                                                      514429    1.03    0.00  1.0000
- -10   2   3  881259  124864                                                      804488    1.03    0.00  1.0000
- -10   2   4   77033   65357                                                      100009    0.95    0.00  1.0000
- -10   3  -3     424   56112                                                      -25598   -0.51    0.00  1.0000
- -10   3  -3   61083   62774                                                       71640   -0.51    0.00  1.0000
- -10   3  -2     125   52848                                                      -10458   -0.27    0.00  1.0000
- -10   3  -2   10409   47031                                                        8283   -0.27    0.00  1.0000
- -10   3  -1  100098   66725                                                       98134    0.08    0.00  1.0000
- -10   3  -1   66917   52041                                                       65313    0.08    0.00  1.0000
- -10   3   0   84508   53686                                                       73822    0.47    0.00  1.0000
- -10   3   0  101705   46395                                                       89948    0.47    0.00  1.0000
- -10   3   1 1543207  172371                                                     1627851    0.83    0.00  1.0000
- -10   3   1 1341650  149427                                                     1420649    0.83    0.00  1.0000
- -10   3   2  281986   81208                                                      236543    1.10    0.00  1.0000
- -10   3   2  311061   69225                                                      263232    1.10    0.00  1.0000
- -10   3   3    2573   68558                                                      -68758    1.25    0.00  1.0000
- -10   3   3    8490   39623                                                        1719    1.25    0.00  1.0000
- -10   3   4  412296  103769                                                      479582    1.24    0.00  1.0000
- -10   4  -2      25   66330                                                      -88798    0.12    0.00  1.0000
- -10   4  -2      25   50793                                                      -26210    0.12    0.00  1.0000
- -10   4  -1     253   49743                                                      -61121    0.39    0.00  1.0000
- -10   4  -1  149445   55337                                                      137475    0.39    0.00  1.0000
- -10   4   0  892364  132838                                                      944381    0.67    0.00  1.0000
- -10   4   0  834901  129120                                                      885240    0.67    0.00  1.0000
- -10   4   1  266730   74360                                                      230913    0.88    0.00  1.0000
- -10   4   1  245925   69171                                                      211585    0.88    0.00  1.0000
- -10   4   2  112859   56493                                                       87111    1.00    0.00  1.0000
- -10   4   2   88263   53089                                                       65685    1.00    0.00  1.0000
- -10   4   3 1121250  151889                                                     1210510    1.02    0.00  1.0000
- -10   4   3 1130513  140396                                                     1220134    1.02    0.00  1.0000
- -10   4   4  775537  107047                                                      710497    0.93    0.00  1.0000
- -10   4   4  977945  133950                                                      904734    0.93    0.00  1.0000
-  -9 -10  -7  607804   99052                                                      598534    0.15    0.00  1.0000
-  -9 -10  -7  669463  124077                                                      659732    0.15    0.00  1.0000
-  -9 -10  -7  802155  126894                                                      791500    0.15    0.00  1.0000
-  -9 -10  -6     118   64214                                                      -40361    0.27    0.00  1.0000
-  -9 -10  -6   96582   62160                                                       90018    0.27    0.00  1.0000
-  -9 -10  -5  532477  105587                                                      553444    0.35    0.00  1.0000
-  -9 -10  -5  580092  120974                                                      601967    0.35    0.00  1.0000
-  -9 -10  -4  642811  120428                                                      618899    0.37    0.00  1.0000
-  -9 -10  -4  498273   99572                                                      477248    0.37    0.00  1.0000
-  -9 -10  -3   48393   58489                                                       54300    0.32    0.00  1.0000
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-  10   1  -2 1131953  138356                                                     1095541   -0.42    0.00  1.0000
-  10   1  -2 1112284  121061                                                     1076192   -0.42    0.00  1.0000
-  10   1  -1  347407   86092                                                      346751    0.01    0.00  1.0000
-  10   1   0   53463   56373                                                       47080    0.35    0.00  1.0000
-  10   1   1  347337   88833                                                      371768    0.50    0.00  1.0000
-  10   1   2  582683  107007                                                      553162    0.48    0.00  1.0000
-  10   1   3  104835   64818                                                      114625    0.36    0.00  1.0000
-  10   1   4 1103884  147222                                                     1122494    0.22    0.00  1.0000
-  10   1   5 1649405  178613                                                     1641012    0.08    0.00  1.0000
-  10   1   6   19397   52596                                                       19763   -0.03    0.00  1.0000
-  10   2  -3  851652  117601                                                      825863   -0.35    0.00  1.0000
-  10   2  -3  847833  116619                                                      822102   -0.35    0.00  1.0000
-  10   2  -2  499969   98627                                                      504559   -0.08    0.00  1.0000
-  10   2  -2  591836   95528                                                      596829   -0.08    0.00  1.0000
-  10   2  -1   57877   46551                                                       63380    0.27    0.00  1.0000
-  10   2  -1     125   35875                                                      -23554    0.27    0.00  1.0000
-  10   2   0 1072065  141142                                                     1121117    0.58    0.00  1.0000
-  10   2   0  841261  113853                                                      884776    0.58    0.00  1.0000
-  10   2   1   90685   45862                                                       73961    0.72    0.00  1.0000
-  10   2   1  144003   53132                                                      122709    0.72    0.00  1.0000
-  10   2   2   69597   55369                                                       55457    0.70    0.00  1.0000
-  10   2   2   26828   38453                                                       18352    0.70    0.00  1.0000
-  10   2   3  682076  120946                                                      720591    0.56    0.00  1.0000
-  10   2   4 1595534  174217                                                     1553298    0.41    0.00  1.0000
-  10   2   5  304280   87261                                                      317562    0.29    0.00  1.0000
-  10   2   6  911979  138906                                                      928294    0.21    0.00  1.0000
-  10   3  -2   49384   45553                                                       46202    0.18    0.00  1.0000
-  10   3  -2   74875   55006                                                       70946    0.18    0.00  1.0000
-  10   3  -1  206365   67977                                                      219122    0.34    0.00  1.0000
-  10   3  -1  245430   71893                                                      259325    0.34    0.00  1.0000
-  10   3   0  716629  109526                                                      682507    0.50    0.00  1.0000
-  10   3   0  670121   99424                                                      637138    0.50    0.00  1.0000
-  10   3   1  170786   67490                                                      151645    0.59    0.00  1.0000
-  10   3   1  293806   69645                                                      268523    0.59    0.00  1.0000
-  10   3   2  319051   91575                                                      344953    0.55    0.00  1.0000
-  10   3   2  218498   70257                                                      240020    0.55    0.00  1.0000
-  10   3   3  823178  125913                                                      792311    0.42    0.00  1.0000
-  10   3   3  494714   86716                                                      470851    0.42    0.00  1.0000
-  10   3   4   43851   59391                                                       48330    0.26    0.00  1.0000
-  10   3   4     109   43407                                                       -2316    0.26    0.00  1.0000
-  10   3   5  382234   92081                                                      388305    0.12    0.00  1.0000
-  10   3   5  487965   88820                                                      494822    0.12    0.00  1.0000
-  10   3   6 2037029  200377                                                     2032151    0.04    0.00  1.0000
-  10   3   7  379122  100208                                                      379737    0.01    0.00  1.0000
-  10   4  -1  957461  126657                                                      932535    0.32    0.00  1.0000
-  10   4  -1  650164  105559                                                      629653    0.32    0.00  1.0000
-  10   4   0  330982   84045                                                      349297    0.39    0.00  1.0000
-  10   4   0  497723   96798                                                      520127    0.39    0.00  1.0000
-  10   4   1  619994  111199                                                      648289    0.44    0.00  1.0000
-  10   4   1  551556   97534                                                      578262    0.44    0.00  1.0000
-  10   4   2  264117   73663                                                      246994    0.42    0.00  1.0000
-  10   4   2  174609   62057                                                      160740    0.42    0.00  1.0000
-  10   4   3     150   48836                                                      -76968    0.30    0.00  1.0000
-  10   4   3     876   44956                                                        1743    0.30    0.00  1.0000
-  10   4   4  299622   78265                                                      304366    0.11    0.00  1.0000
-  10   4   4  402486   86371                                                      407982    0.11    0.00  1.0000
-  10   4   5  816782  133167                                                      824267   -0.10    0.00  1.0000
-  10   4   5  818944  114332                                                      826439   -0.10    0.00  1.0000
-  10   4   6  428427   98037                                                      415127   -0.25    0.00  1.0000
-  10   4   6  337323   77537                                                      325533   -0.25    0.00  1.0000
-  10   5   0  197632   71093                                                      213434    0.43    0.00  1.0000
-  10   5   0   95739   59951                                                      106829    0.43    0.00  1.0000
-  10   5   1  841577  119160                                                      800436    0.56    0.00  1.0000
-  10   5   1  652822  107373                                                      616648    0.56    0.00  1.0000
-  10   5   2   10307   46480                                                       16102    0.63    0.00  1.0000
-  10   5   2     649   48108                                                      -47094    0.63    0.00  1.0000
-  10   5   3   59299   62886                                                       71075    0.57    0.00  1.0000
-  10   5   3  109749   59840                                                      125578    0.57    0.00  1.0000
-  10   5   4  549753  108984                                                      528016    0.36    0.00  1.0000
-  10   5   4  519242   96521                                                      498123    0.36    0.00  1.0000
-  10   5   5  554450  108685                                                      558519    0.07    0.00  1.0000
-  10   5   5  375760   85191                                                      379111    0.07    0.00  1.0000
-  10   5   6      78   69889                                                      -79309   -0.22    0.00  1.0000
-  10   5   6      78   41591                                                      -32424   -0.22    0.00  1.0000
-  10   6   3  417950   93221                                                      374595    0.85    0.00  1.0000
-  10   6   3  264766   70081                                                      230501    0.85    0.00  1.0000
-  10   6   4  217155   79500                                                      245233    0.72    0.00  1.0000
-  10   6   4  332921   90218                                                      367484    0.72    0.00  1.0000
-;
-_shelx_hkl_checksum              39969
-
-_chemical_properties_physical    Moisture-sensitive
diff --git a/Tests/ChemSharp.Tests/files/corrole.mol b/Tests/ChemSharp.Tests/files/corrole.mol
deleted file mode 100644
index 7c9b4f6..0000000
--- a/Tests/ChemSharp.Tests/files/corrole.mol
+++ /dev/null
@@ -1,132 +0,0 @@
-6857582
-  Marvin  12310715553D          
-
- 37 41  0  0  0  0            999 V2000
-    1.3194   -1.2220   -0.8506 N   0  0  0  0  0  0  0  0  0  0  0  0
-    1.3431    1.4786    0.1247 N   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.5474    0.9695    0.7532 N   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.1773   -1.6110   -0.2490 N   0  0  0  0  0  0  0  0  0  0  0  0
-    0.8288   -2.4343   -1.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.6007   -1.0111   -1.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.6329    1.3318   -0.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.0310    2.6534    0.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.4124    2.2535    1.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.5149   -2.6518   -0.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.7978    0.4861    0.8963 C   0  0  0  0  0  0  0  0  0  0  0  0
-    3.2456    0.2079   -0.8419 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.2451    3.0426    1.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.9057   -3.1161   -1.6741 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.9948   -2.2316   -1.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.4447   -1.8379    0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
-    3.2112    2.5467    0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.2294    3.3604    0.6963 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.2516   -0.8210    0.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.6872    2.6429    1.5337 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.5418    1.5535    1.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.4471   -3.6859   -0.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.6430   -3.1772   -0.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.7485   -0.5604   -0.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
-    4.2373    0.2741   -1.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
-    0.6628    0.8193   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.3331    3.9936    1.4928 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.8136    0.4362    0.4223 H   0  0  0  0  0  0  0  0  0  0  0  0
-    1.9018   -4.0807   -2.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
-    3.9292   -2.4493   -2.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
-    4.1923    2.8043    0.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
-    2.3653    4.3071    1.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -4.2279   -1.0448    0.8106 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.9534    3.5679    1.8777 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -4.5396    1.5423    1.6120 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.2880   -4.6393   -1.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.5143   -3.6972   -0.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  5  1  0  0  0  0
-  1  6  1  0  0  0  0
-  1 24  1  0  0  0  0
-  2  7  1  0  0  0  0
-  2  8  1  0  0  0  0
-  2 26  1  0  0  0  0
-  3  9  1  0  0  0  0
-  3 11  1  0  0  0  0
-  3 28  1  0  0  0  0
-  4 10  2  0  0  0  0
-  4 16  1  0  0  0  0
-  5 10  1  0  0  0  0
-  5 14  2  0  0  0  0
-  6 12  1  0  0  0  0
-  6 15  2  0  0  0  0
-  7 12  2  0  0  0  0
-  7 17  1  0  0  0  0
-  8 13  2  0  0  0  0
-  8 18  1  0  0  0  0
-  9 13  1  0  0  0  0
-  9 20  2  0  0  0  0
- 10 22  1  0  0  0  0
- 11 19  1  0  0  0  0
- 11 21  2  0  0  0  0
- 12 25  1  0  0  0  0
- 13 27  1  0  0  0  0
- 14 15  1  0  0  0  0
- 14 29  1  0  0  0  0
- 15 30  1  0  0  0  0
- 16 19  2  0  0  0  0
- 16 23  1  0  0  0  0
- 17 18  2  0  0  0  0
- 17 31  1  0  0  0  0
- 18 32  1  0  0  0  0
- 19 33  1  0  0  0  0
- 20 21  1  0  0  0  0
- 20 34  1  0  0  0  0
- 21 35  1  0  0  0  0
- 22 23  2  0  0  0  0
- 22 36  1  0  0  0  0
- 23 37  1  0  0  0  0
-M  END
-
-> <PUBCHEM_BONDANNOTATIONS>
-1  5  8
-1  6  8
-11  19  8
-11  21  8
-14  15  8
-16  19  8
-17  18  8
-2  7  8
-2  8  8
-20  21  8
-3  11  8
-3  9  8
-4  10  8
-4  16  8
-5  10  8
-5  14  8
-6  12  8
-6  15  8
-7  12  8
-7  17  8
-8  13  8
-8  18  8
-9  13  8
-9  20  8
-
-> <StdInChI>
-InChI=1S/C19H14N4/c1-3-14-10-16-5-7-18(22-16)19-8-6-17(23-19)11-15-4-2-13(21-15)9-12(1)20-14/h1-11,20-22H/b12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,19-18-
-
-> <StdInChIKey>
-LYNARWYQOUZXDY-MXCYJBDUSA-N
-
-> <AuxInfo>
-1/0/N:18,20,17,21,15,23,14,22,13,12,19,8,9,7,11,6,16,5,10,2,3,1,4/rA:37nNNNNCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHH/rB:;;;s1;s1;s2;s2;s3;d4s5;s3;s6d7;d8s9;d5;d6s14;s4;s7;s8d17;s11d16;d9;d11s20;s10;s16d22;s1;s12;s2;s13;s3;s14;s15;s17;s18;s19;s20;s21;s22;s23;/rC:1.3194,-1.222,-.8506;1.3431,1.4786,.1247;-1.5474,.9695,.7532;-1.1773,-1.611,-.249;.8288,-2.4343,-1.1141;2.6007,-1.0111,-1.1289;2.6329,1.3318,-.2366;1.031,2.6534,.6825;-1.4124,2.2535,1.128;-.5149,-2.6518,-.7668;-2.7978,.4861,.8963;3.2456,.2079,-.8419;-.2451,3.0426,1.1292;1.9057,-3.1161,-1.6741;2.9948,-2.2316,-1.6852;-2.4447,-1.8379,.0739;3.2112,2.5467,.1307;2.2294,3.3604,.6963;-3.2516,-.821,.6134;-2.6872,2.6429,1.5337;-3.5418,1.5535,1.3913;-1.4471,-3.6859,-.7853;-2.643,-3.1772,-.2606;.7485,-.5604,-.4646;4.2373,.2741,-1.0788;.6628,.8193,-.0002;-.3331,3.9936,1.4928;-.8136,.4362,.4223;1.9018,-4.0807,-2.0104;3.9292,-2.4493,-2.0362;4.1923,2.8043,.0116;2.3653,4.3071,1.0583;-4.2279,-1.0448,.8106;-2.9534,3.5679,1.8777;-4.5396,1.5423,1.612;-1.288,-4.6393,-1.1146;-3.5143,-3.6972,-.1404;
-
-> <Formula>
-C19 H14 N4
-
-> <Mw>
-298.3413
-
-> <SMILES>
-N1([H])C2=C([H])C([H])=C1C1C([H])=C([H])C(=C([H])C3=C([H])C([H])=C(C([H])=C4C([H])=C([H])C(=C2[H])N4[H])N3[H])N=1 |c:14,t:24,30|
-
-> <CSID>
-5256918
-
-$$$$
diff --git a/Tests/ChemSharp.Tests/files/epr.par b/Tests/ChemSharp.Tests/files/epr.par
deleted file mode 100644
index 38d70c3..0000000
--- a/Tests/ChemSharp.Tests/files/epr.par
+++ /dev/null
@@ -1 +0,0 @@
-DOS  Format
ANZ 2048
MIN -1131.935059
MAX 819.064941
JSS 0
GST 2650.000000
GSI 1500.000000
JUN G
JON Bruker BioSpin GmbH
JDA 04.Aug.2017
JTM 15:19
JRE c:\program files\bruker emx research\syscal\st9722.cal
JEX field-sweep
RES 2048
JSD 1
HCF 3400.000000
HSW 1500.000000
EMF 2650.000000
RTC 5.120000
RRG 2.000000e+004
RMA 10.000000
MF  9.459384
MP  4.024e+000
\ No newline at end of file
diff --git a/Tests/ChemSharp.Tests/files/epr.spc b/Tests/ChemSharp.Tests/files/epr.spc
deleted file mode 100644
index dde5763..0000000
Binary files a/Tests/ChemSharp.Tests/files/epr.spc and /dev/null differ
diff --git a/Tests/ChemSharp.Tests/files/mescho.xyz b/Tests/ChemSharp.Tests/files/mescho.xyz
deleted file mode 100644
index 739bc97..0000000
--- a/Tests/ChemSharp.Tests/files/mescho.xyz
+++ /dev/null
@@ -1,25 +0,0 @@
-23
-
-  C   0.85246046633891     -1.08114766176821      0.02536743820348
-  C   -0.52085955184189     -1.27365288147871      0.12139545845285
-  H   -0.90465547020768     -2.28302252627960      0.21401816805878
-  C   -1.41413964606306     -0.20791377509368      0.10143731850863
-  C   -0.90057384720898      1.08137083569397     -0.01833505708718
-  H   -1.58610422832799      1.92144407162582     -0.03856804877376
-  C   0.46201713139848      1.33142714145308     -0.11459974099080
-  C   0.92102499580802      2.75699931085670     -0.23990400797095
-  C   1.35581552435479      0.23330568102573     -0.09281142948193
-  C   2.81324801721592      0.42436459081212     -0.18728299187218
-  O   3.39926165486378      1.48650664589158     -0.23757020566538
-  H   3.40076746493285     -0.51058787797304     -0.21178654408777
-  C   1.74495164222455     -2.29946866381815      0.05458627876474
-  C   -2.89683845649543     -0.43126314344278      0.20369050741901
-  H   -3.13667757919912     -1.49088703723364      0.28719656160855
-  H   -3.41309269782252     -0.03440234990395     -0.67414865004577
-  H   -3.31008873151095      0.08062926679350      1.07632423924497
-  H   0.05831511922038      3.42040305097058     -0.30371693549591
-  H   1.54992691986839      2.90206095396132     -1.11822435770794
-  H   1.53387811613243      3.05412594810389      0.61267134061390
-  H   1.13931627170847     -3.19948029744024      0.15341957246320
-  H   2.44352060055994     -2.27711002211565      0.89344322151690
-  H   2.33590628405072     -2.39794126064061     -0.85826213567545
\ No newline at end of file
diff --git a/Tests/ChemSharp.Tests/files/multicsv.csv b/Tests/ChemSharp.Tests/files/multicsv.csv
deleted file mode 100644
index 9f34663..0000000
--- a/Tests/ChemSharp.Tests/files/multicsv.csv
+++ /dev/null
@@ -1,903 +0,0 @@
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-199.9738464,0.1512924582,199.9738464,0.5774714351,199.9738464,0.6577286124,199.9738464,0.8007867336,199.9738464,1.273443222,199.9738464,0.7956434488,199.9738464,0.7958912849,199.9738464,0.5424675345,199.9738464,0.7786595225,199.9738464,1.258995652,199.9738464,0.2299651057,199.9738464,0.798570931,199.9738464,0.3390879929,199.9738464,10,199.9738464,0.7972642183,199.9738464,0.3699076474,199.9738464,1.254250169,199.9738464,0.677695632,199.9738464,0.7985513806,199.9738464,0.671233058,199.9738464,0.5557698011,199.9738464,0.5586131811,,,
-
diff --git a/Tests/ChemSharp.Tests/files/myo.mol2 b/Tests/ChemSharp.Tests/files/myo.mol2
deleted file mode 100644
index 3618879..0000000
--- a/Tests/ChemSharp.Tests/files/myo.mol2
+++ /dev/null
@@ -1,3229 +0,0 @@
-@<TRIPOS>MOLECULE
-0001
-  1437  1312   316     0     5
-BIOPOLYMER
-NO_CHARGES
-
-
-@<TRIPOS>ATOM
-     1 N       24.4696   8.5849  -9.3261   N.3       1 MET0  32.1000
-     2 CA      24.6017   9.9938  -9.6811   C.3       1 MET0  30.9000
-     3 C       25.9447  10.3058 -10.2891   C.2       1 MET0  29.6000
-     4 O       26.9187   9.5389 -10.1731   O.2       1 MET0  29.8000
-     5 CB      24.5037  10.7988  -8.4431   C.3       1 MET0  32.9000
-     6 CG      24.8056   9.8499  -7.3091   C.3       1 MET0  35.1000
-     7 SD      23.9847  10.3828  -5.8061   S.3       1 MET0  38.5000
-     8 CE      24.3037  12.1238  -5.9581   C.3       1 MET0  34.1000
-     9 N       25.9967  11.4318 -10.9681   N.am      2 VAL1  26.9000
-    10 CA      27.2348  11.8368 -11.5411   C.3       2 VAL1  24.3000
-    11 C       27.4278  13.3128 -11.2591   C.2       2 VAL1  22.6000
-    12 O       26.4909  14.0988 -11.4301   O.2       2 VAL1  23.6000
-    13 CB      27.2377  11.5668 -13.0492   C.3       2 VAL1  24.9000
-    14 CG1     28.4898  12.1248 -13.7022   C.3       2 VAL1  23.9000
-    15 CG2     27.1447  10.0648 -13.2822   C.3       2 VAL1  24.7000
-    16 N       28.5009  13.6908 -10.5731   N.am      3 LEU2  18.7000
-    17 CA      28.6569  15.0918 -10.3491   C.3       3 LEU2  16.0000
-    18 C       29.2880  15.7158 -11.5941   C.2       3 LEU2  15.1000
-    19 O       30.0849  15.0918 -12.3061   O.2       3 LEU2  14.8000
-    20 CB      29.6189  15.3348  -9.1631   C.3       3 LEU2  15.0000
-    21 CG      29.0299  15.3118  -7.7351   C.3       3 LEU2  14.6000
-    22 CD1     28.6519  13.8838  -7.4011   C.3       3 LEU2  14.9000
-    23 CD2     30.0100  15.8738  -6.7181   C.3       3 LEU2  14.6000
-    24 N       29.0340  16.9767 -11.8501   N.am      4 SER3  14.5000
-    25 CA      29.7440  17.6097 -12.9422   C.3       4 SER3  13.9000
-    26 C       31.1221  18.0377 -12.4521   C.2       4 SER3  13.5000
-    27 O       31.3961  18.0807 -11.2391   O.2       4 SER3  12.8000
-    28 CB      28.9941  18.8337 -13.3762   C.3       4 SER3  15.5000
-    29 OG      28.9991  19.7927 -12.3161   O.3       4 SER3  16.0000
-    30 N       31.9731  18.5227 -13.3532   N.am      5 GLU4  12.8000
-    31 CA      33.2791  18.9287 -12.9362   C.3       5 GLU4  13.7000
-    32 C       33.1842  20.1947 -12.0461   C.2       5 GLU4  13.4000
-    33 O       34.0362  20.4307 -11.1851   O.2       5 GLU4  14.1000
-    34 CB      34.1001  19.1777 -14.2332   C.3       5 GLU4  15.3000
-    35 CG      35.4322  19.8627 -14.0072   C.3       5 GLU4  16.7000
-    36 CD      36.4612  19.0037 -13.2802   C.ar      5 GLU4  19.4000
-    37 OE1     36.2741  17.8047 -13.1882   O.co2     5 GLU4  20.7000
-    38 OE2     37.4592  19.5397 -12.7662   O.co2     5 GLU4  21.4000
-    39 N       32.2272  21.0997 -12.3181   N.am      6 GLY5  12.5000
-    40 CA      32.0853  22.2967 -11.5391   C.3       6 GLY5  12.9000
-    41 C       31.6873  21.8907 -10.1021   C.2       6 GLY5  13.0000
-    42 O       32.1433  22.4827  -9.1341   O.2       6 GLY5  14.2000
-    43 N       30.8492  20.8777  -9.9171   N.am      7 GLU6  12.8000
-    44 CA      30.5362  20.4217  -8.5611   C.3       7 GLU6  13.4000
-    45 C       31.7842  19.8707  -7.8701   C.2       7 GLU6  12.8000
-    46 O       32.0272  20.1737  -6.6781   O.2       7 GLU6  11.3000
-    47 CB      29.4531  19.3537  -8.5921   C.3       7 GLU6  13.3000
-    48 CG      28.1291  20.0087  -9.0301   C.3       7 GLU6  16.0000
-    49 CD      26.9861  19.0387  -9.3731   C.ar      7 GLU6  16.1000
-    50 OE1     27.2250  17.9507  -9.8751   O.co2     7 GLU6  15.2000
-    51 OE2     25.8411  19.3887  -9.1591   O.co2     7 GLU6  18.4000
-    52 N       32.5121  18.9627  -8.5461   N.am      8 TRP7  11.7000
-    53 CA      33.7291  18.4357  -7.9711   C.3       8 TRP7  12.0000
-    54 C       34.6762  19.5867  -7.6261   C.2       8 TRP7  12.3000
-    55 O       35.3832  19.5477  -6.6111   O.2       8 TRP7  10.4000
-    56 CB      34.4501  17.4767  -8.9541   C.3       8 TRP7  12.6000
-    57 CG      33.8170  16.0858  -8.9991   C.2       8 TRP7  12.3000
-    58 CD1     33.2660  15.5518 -10.1541   C.2       8 TRP7  11.4000
-    59 CD2     33.7260  15.2378  -7.9031   C.ar      8 TRP7  11.4000
-    60 NE1     32.7869  14.3418  -9.7901   N.2       8 TRP7   9.6000
-    61 CE2     33.0129  14.1298  -8.4411   C.ar      8 TRP7  10.8000
-    62 CE3     34.1140  15.3028  -6.5631   C.ar      8 TRP7  10.0000
-    63 CZ2     32.6299  13.0678  -7.5971   C.ar      8 TRP7  10.8000
-    64 CZ3     33.7199  14.2378  -5.7451   C.ar      8 TRP7  11.5000
-    65 CH2     32.9719  13.1438  -6.2401   C.ar      8 TRP7  11.0000
-    66 N       34.6662  20.6727  -8.4201   N.am      9 GLN8  12.2000
-    67 CA      35.5653  21.7677  -8.1311   C.3       9 GLN8  13.7000
-    68 C       35.2023  22.4337  -6.7851   C.2       9 GLN8  12.4000
-    69 O       36.0673  22.8987  -6.0131   O.2       9 GLN8  12.4000
-    70 CB      35.4753  22.8357  -9.2301   C.3       9 GLN8  17.0000
-    71 CG      36.3563  22.5327 -10.4031   C.3       9 GLN8  24.5000
-    72 CD      36.3944  23.7486 -11.3321   C.2       9 GLN8  30.3000
-    73 OE1     35.6864  23.7496 -12.3591   O.2       9 GLN8  34.5000
-    74 NE2     37.2684  24.7526 -11.0781   N.am      9 GLN8  32.9000
-    75 N       33.9203  22.6047  -6.5481   N.am     10 LEU9  11.2000
-    76 CA      33.5073  23.2137  -5.2981   C.3      10 LEU9  11.2000
-    77 C       33.8743  22.3527  -4.1120   C.2      10 LEU9  11.4000
-    78 O       34.2973  22.8897  -3.0770   O.2      10 LEU9  11.5000
-    79 CB      32.0153  23.4606  -5.3091   C.3      10 LEU9  11.8000
-    80 CG      31.5414  24.5326  -6.2941   C.3      10 LEU9  14.1000
-    81 CD1     30.0234  24.6106  -6.3501   C.3      10 LEU9  14.0000
-    82 CD2     32.1464  25.8576  -5.9341   C.3      10 LEU9  15.8000
-    83 N       33.8122  21.0127  -4.2691   N.am     11 VAL10  10.8000
-    84 CA      34.1192  20.0727  -3.1750   C.3      11 VAL10  10.3000
-    85 C       35.6012  20.0277  -2.8900   C.2      11 VAL10  11.2000
-    86 O       36.0042  20.2387  -1.7460   O.2      11 VAL10  10.8000
-    87 CB      33.6421  18.6627  -3.5780   C.3      11 VAL10  10.7000
-    88 CG1     34.2151  17.5827  -2.6580   C.3      11 VAL10  10.8000
-    89 CG2     32.0901  18.6357  -3.6500   C.3      11 VAL10  10.3000
-    90 N       36.4642  20.0797  -3.9310   N.am     12 LEU11  10.8000
-    91 CA      37.8922  19.9637  -3.6640   C.3      12 LEU11  10.9000
-    92 C       38.4723  21.3007  -3.2770   C.2      12 LEU11  10.9000
-    93 O       39.3873  21.3417  -2.4820   O.2      12 LEU11  12.0000
-    94 CB      38.5722  19.4017  -4.8991   C.3      12 LEU11  11.0000
-    95 CG      38.1331  18.0107  -5.2091   C.3      12 LEU11  11.3000
-    96 CD1     38.6861  17.5547  -6.5281   C.3      12 LEU11  13.7000
-    97 CD2     38.5411  17.1017  -4.0600   C.3      12 LEU11  12.3000
-    98 N       37.7303  22.3807  -3.5260   N.am     13 HIS12  11.1000
-    99 CA      38.1614  23.7216  -3.1370   C.3      13 HIS12  11.8000
-   100 C       37.9584  23.8826  -1.6250   C.2      13 HIS12  11.9000
-   101 O       38.8724  24.2736  -0.9140   O.2      13 HIS12  12.2000
-   102 CB      37.3564  24.7906  -3.8670   C.3      13 HIS12  12.9000
-   103 CG      37.8065  26.1646  -3.3700   C.2      13 HIS12  16.3000
-   104 ND1     39.0945  26.9176  -3.7190   N.2      13 HIS12  19.5000
-   105 CD2     37.1235  27.0426  -2.5590   C.2      13 HIS12  17.4000
-   106 CE1     39.0716  28.0726  -3.0060   C.2      13 HIS12  18.8000
-   107 NE2     37.9716  28.1646  -2.3000   N.2      13 HIS12  19.2000
-   108 N       36.8454  23.4106  -1.0510   N.am     14 VAL13  11.7000
-   109 CA      36.7594  23.5836   0.4260   C.3      14 VAL13  11.4000
-   110 C       37.5543  22.4587   1.1080   C.2      14 VAL13  10.8000
-   111 O       38.1183  22.6547   2.2050   O.2      14 VAL13  10.6000
-   112 CB      35.2774  23.6166   0.8940   C.3      14 VAL13  11.4000
-   113 CG1     34.5833  22.3177   0.5850   C.3      14 VAL13  12.6000
-   114 CG2     35.2164  23.9326   2.3830   C.3      14 VAL13  12.8000
-   115 N       37.7153  21.2937   0.4240   N.am     15 TRP14  10.3000
-   116 CA      38.4952  20.2467   1.0370   C.3      15 TRP14  10.3000
-   117 C       39.9443  20.6817   1.1690   C.2      15 TRP14  10.5000
-   118 O       40.6452  20.2297   2.1010   O.2      15 TRP14  11.5000
-   119 CB      38.4512  18.9317   0.2330   C.3      15 TRP14  11.5000
-   120 CG      38.9171  17.7537   1.0970   C.2      15 TRP14  11.6000
-   121 CD1     40.1421  17.1777   0.9180   C.2      15 TRP14  13.4000
-   122 CD2     38.2181  17.2087   2.1880   C.ar     15 TRP14  14.5000
-   123 NE1     40.2381  16.2578   1.8920   N.2      15 TRP14  12.2000
-   124 CE2     39.1061  16.2258   2.6390   C.ar     15 TRP14  13.7000
-   125 CE3     36.9761  17.4297   2.8040   C.ar     15 TRP14  15.1000
-   126 CZ2     38.7670  15.4018   3.6800   C.ar     15 TRP14  15.6000
-   127 CZ3     36.6401  16.6188   3.8760   C.ar     15 TRP14  16.9000
-   128 CH2     37.5250  15.6028   4.2921   C.ar     15 TRP14  17.7000
-   129 N       40.4403  21.5267   0.2460   N.am     16 ALA15   9.4000
-   130 CA      41.8133  21.9647   0.3300   C.3      16 ALA15   9.6000
-   131 C       42.0834  22.8227   1.5650   C.2      16 ALA15  11.0000
-   132 O       43.1574  22.7577   2.1910   O.2      16 ALA15  11.0000
-   133 CB      42.1144  22.7677  -0.9270   C.3      16 ALA15  10.1000
-   134 N       41.0194  23.4586   2.0690   N.am     17 LYS16  11.5000
-   135 CA      41.0874  24.2646   3.3010   C.3      17 LYS16  12.4000
-   136 C       41.1074  23.2847   4.4601   C.2      17 LYS16  11.4000
-   137 O       41.8094  23.5066   5.4151   O.2      17 LYS16  11.0000
-   138 CB      39.8455  25.1326   3.4550   C.3      17 LYS16  13.2000
-   139 CG      39.6195  26.0816   2.2820   C.3      17 LYS16  15.6000
-   140 CD      40.8826  26.8366   1.9610   C.3      17 LYS16  18.5000
-   141 CE      40.5316  27.9876   1.0240   C.3      17 LYS16  22.9000
-   142 NZ      41.6176  28.2556   0.0850   N.3      17 LYS16  24.8000
-   143 N       40.2403  22.2737   4.5091   N.am     18 VAL17   9.4000
-   144 CA      40.3063  21.2937   5.5731   C.3      18 VAL17   9.4000
-   145 C       41.7293  20.7077   5.7201   C.2      18 VAL17  10.0000
-   146 O       42.2243  20.3667   6.8141   O.2      18 VAL17   9.7000
-   147 CB      39.3252  20.1727   5.2041   C.3      18 VAL17   9.4000
-   148 CG1     39.4892  18.9437   6.1061   C.3      18 VAL17   9.9000
-   149 CG2     37.9202  20.7257   5.2891   C.3      18 VAL17   9.8000
-   150 N       42.3203  20.3347   4.5921   N.am     19 GLU18   9.8000
-   151 CA      43.6633  19.7627   4.6031   C.3      19 GLU18  10.1000
-   152 C       44.7233  20.6787   5.2241   C.2      19 GLU18   9.5000
-   153 O       45.8443  20.2167   5.4711   O.2      19 GLU18  10.0000
-   154 CB      44.0572  19.2907   3.2160   C.3      19 GLU18  10.2000
-   155 CG      43.2132  18.1107   2.8060   C.3      19 GLU18  11.3000
-   156 CD      43.6652  17.5627   1.4670   C.ar     19 GLU18  13.3000
-   157 OE1     44.2972  18.2627   0.7240   O.co2    19 GLU18  13.6000
-   158 OE2     43.5721  16.3838   1.2750   O.co2    19 GLU18  15.4000
-   159 N       44.4354  21.9577   5.4511   N.am     20 ALA19   8.9000
-   160 CA      45.4244  22.7917   6.1521   C.3      20 ALA19   9.9000
-   161 C       45.4554  22.4167   7.6441   C.2      20 ALA19  10.4000
-   162 O       46.5004  22.5657   8.3051   O.2      20 ALA19  12.1000
-   163 CB      45.0505  24.2626   6.1371   C.3      20 ALA19   9.0000
-   164 N       44.4403  21.6787   8.1621   N.am     21 ASP20  10.1000
-   165 CA      44.5053  21.2587   9.5851   C.3      21 ASP20  11.1000
-   166 C       43.6743  19.9677   9.6631   C.2      21 ASP20  10.0000
-   167 O       42.5763  19.9677  10.2201   O.2      21 ASP20  10.2000
-   168 CB      43.8904  22.3407  10.4751   C.3      21 ASP20  12.4000
-   169 CG      43.8333  21.8987  11.9481   C.ar     21 ASP20  15.5000
-   170 OD1     44.5063  20.9497  12.3421   O.co2    21 ASP20  13.3000
-   171 OD2     43.0364  22.4787  12.6792   O.co2    21 ASP20  18.5000
-   172 N       44.1892  18.8427   9.2191   N.am     22 VAL21   8.9000
-   173 CA      43.3542  17.6577   9.2121   C.3      22 VAL21   9.6000
-   174 C       43.0161  17.1387  10.6171   C.2      22 VAL21   8.8000
-   175 O       41.8351  16.8817  10.8861   O.2      22 VAL21   8.0000
-   176 CB      44.0051  16.5248   8.3481   C.3      22 VAL21  11.7000
-   177 CG1     43.1510  15.2558   8.3931   C.3      22 VAL21  13.9000
-   178 CG2     43.9831  16.9897   6.9031   C.3      22 VAL21  13.6000
-   179 N       43.9821  17.2107  11.5521   N.am     23 ALA22   8.2000
-   180 CA      43.7041  16.7017  12.8902   C.3      23 ALA22   9.3000
-   181 C       42.6841  17.5787  13.6312   C.2      23 ALA22   9.9000
-   182 O       41.7021  17.0357  14.1922   O.2      23 ALA22  11.1000
-   183 CB      44.9831  16.6607  13.6882   C.3      23 ALA22  10.0000
-   184 N       42.7102  18.9217  13.4622   N.am     24 GLY23   8.5000
-   185 CA      41.7052  19.7017  14.1252   C.3      24 GLY23   8.3000
-   186 C       40.3282  19.4557  13.5172   C.2      24 GLY23   8.6000
-   187 O       39.3562  19.4607  14.2352   O.2      24 GLY23   8.4000
-   188 N       40.2052  19.3227  12.1731   N.am     25 HIS24   7.7000
-   189 CA      38.8992  19.0827  11.5701   C.3      25 HIS24   9.0000
-   190 C       38.3941  17.7317  12.0361   C.2      25 HIS24   9.0000
-   191 O       37.2061  17.5887  12.2611   O.2      25 HIS24   9.3000
-   192 CB      38.9762  19.0577  10.0171   C.3      25 HIS24   8.1000
-   193 CG      39.0472  20.4767   9.5601   C.2      25 HIS24   9.6000
-   194 ND1     40.1273  21.1907   9.4631   N.2      25 HIS24   9.3000
-   195 CD2     38.0183  21.2737   8.9861   C.2      25 HIS24   9.9000
-   196 CE1     39.8563  22.4197   8.9341   C.2      25 HIS24   9.9000
-   197 NE2     38.5693  22.5007   8.6031   N.2      25 HIS24  10.3000
-   198 N       39.2771  16.7067  12.1001   N.am     26 GLY25   8.7000
-   199 CA      38.8220  15.3878  12.5601   C.3      26 GLY25   8.7000
-   200 C       38.2250  15.4768  13.9562   C.2      26 GLY25   9.4000
-   201 O       37.2340  14.8158  14.2602   O.2      26 GLY25   9.6000
-   202 N       38.8900  16.1558  14.8842   N.am     27 GLN26  10.1000
-   203 CA      38.3180  16.2718  16.2252   C.3      27 GLN26  11.8000
-   204 C       36.9401  16.9187  16.1972   C.2      27 GLN26  10.9000
-   205 O       36.0150  16.4618  16.8682   O.2      27 GLN26  10.5000
-   206 CB      39.2291  17.1257  17.1172   C.3      27 GLN26  13.5000
-   207 CG      40.5361  16.4488  17.4472   C.3      27 GLN26  16.9000
-   208 CD      41.3641  17.2957  18.3802   C.2      27 GLN26  19.6000
-   209 OE1     41.6421  16.9447  19.5692   O.2      27 GLN26  21.6000
-   210 NE2     41.7992  18.4237  17.8512   N.am     27 GLN26  21.9000
-   211 N       36.8111  18.1007  15.5922   N.am     28 ASP27  10.5000
-   212 CA      35.5221  18.7577  15.5772   C.3      28 ASP27  11.1000
-   213 C       34.4411  17.8437  15.0432   C.2      28 ASP27  10.4000
-   214 O       33.3051  17.8667  15.4682   O.2      28 ASP27  11.0000
-   215 CB      35.6242  19.9847  14.6712   C.3      28 ASP27  14.1000
-   216 CG      36.3483  21.1697  15.2942   C.ar     28 ASP27  17.3000
-   217 OD1     37.0003  21.0007  16.3302   O.co2    28 ASP27  17.6000
-   218 OD2     36.6123  22.0877  14.5442   O.co2    28 ASP27  17.7000
-   219 N       34.7121  17.1857  13.9142   N.am     29 ILE28   8.9000
-   220 CA      33.7180  16.3118  13.3392   C.3      29 ILE28   9.4000
-   221 C       33.3060  15.1918  14.2962   C.2      29 ILE28  10.0000
-   222 O       32.1189  14.8308  14.4132   O.2      29 ILE28   9.3000
-   223 CB      34.3070  15.7668  12.0021   C.3      29 ILE28   8.8000
-   224 CG1     34.2100  16.8767  10.9421   C.3      29 ILE28   9.1000
-   225 CG2     33.5999  14.5048  11.5461   C.3      29 ILE28  10.0000
-   226 CD1     35.1360  16.6717   9.7021   C.3      29 ILE28   8.9000
-   227 N       34.2869  14.4778  14.8662   N.am     30 PHE29   9.1000
-   228 CA      33.8939  13.3588  15.7382   C.3      30 PHE29  11.0000
-   229 C       33.2039  13.8348  17.0202   C.2      30 PHE29  11.5000
-   230 O       32.2609  13.1838  17.5382   O.2      30 PHE29  12.0000
-   231 CB      35.1199  12.5078  16.0362   C.3      30 PHE29  10.8000
-   232 CG      35.2708  11.4468  14.9472   C.ar     30 PHE29  12.0000
-   233 CD1     34.4467  10.3268  14.9532   C.ar     30 PHE29  11.9000
-   234 CD2     36.1708  11.6388  13.8982   C.ar     30 PHE29  13.0000
-   235 CE1     34.4837   9.3949  13.9102   C.ar     30 PHE29  12.0000
-   236 CE2     36.2088  10.7068  12.8532   C.ar     30 PHE29  14.5000
-   237 CZ      35.3577   9.5919  12.8522   C.ar     30 PHE29  14.2000
-   238 N       33.6280  14.9768  17.5302   N.am     31 ILE30  11.4000
-   239 CA      32.9690  15.4848  18.7182   C.3      31 ILE30  12.9000
-   240 C       31.5260  15.8758  18.3822   C.2      31 ILE30  13.5000
-   241 O       30.5910  15.5058  19.0852   O.2      31 ILE30  12.2000
-   242 CB      33.7780  16.6757  19.3082   C.3      31 ILE30  13.3000
-   243 CG1     35.0420  16.0998  19.9782   C.3      31 ILE30  13.0000
-   244 CG2     32.8781  17.4907  20.2532   C.3      31 ILE30  13.8000
-   245 CD1     36.0621  17.1547  20.3882   C.3      31 ILE30  14.1000
-   246 N       31.3230  16.5158  17.2262   N.am     32 ARG31  13.0000
-   247 CA      29.9720  16.8717  16.8232   C.3      32 ARG31  14.0000
-   248 C       29.1479  15.5928  16.6662   C.2      32 ARG31  13.3000
-   249 O       28.0189  15.4718  17.1482   O.2      32 ARG31  13.5000
-   250 CB      30.0810  17.6237  15.4882   C.3      32 ARG31  14.9000
-   251 CG      28.7820  17.9287  14.7702   C.3      32 ARG31  18.6000
-   252 CD      27.9541  18.8717  15.6232   C.3      32 ARG31  22.2000
-   253 NE      26.6671  18.9877  14.9832   N.2      32 ARG31  26.4000
-   254 CZ      25.7901  19.8077  15.5172   C.ar     32 ARG31  27.6000
-   255 NH1     26.2021  20.6047  16.4932   N.pl3    32 ARG31  29.7000
-   256 NH2     24.5801  19.9487  14.9522   N.pl3    32 ARG31  28.5000
-   257 N       29.7229  14.5858  16.0142   N.am     33 LEU32  12.0000
-   258 CA      28.9738  13.3508  15.8262   C.3      33 LEU32  13.7000
-   259 C       28.5588  12.6948  17.1792   C.2      33 LEU32  14.0000
-   260 O       27.4038  12.2778  17.3812   O.2      33 LEU32  12.8000
-   261 CB      29.8428  12.3318  15.0302   C.3      33 LEU32  12.9000
-   262 CG      29.2497  10.9218  14.8762   C.3      33 LEU32  13.9000
-   263 CD1     28.0537  10.9628  13.8952   C.3      33 LEU32  13.1000
-   264 CD2     30.3067   9.8989  14.3982   C.3      33 LEU32  13.3000
-   265 N       29.5628  12.5228  18.0752   N.am     34 PHE33  15.0000
-   266 CA      29.2978  11.8478  19.3462   C.3      34 PHE33  16.1000
-   267 C       28.3468  12.6798  20.1952   C.2      34 PHE33  18.0000
-   268 O       27.5808  12.1368  20.9902   O.2      34 PHE33  18.8000
-   269 CB      30.6128  11.6698  20.0662   C.3      34 PHE33  14.4000
-   270 CG      31.5557  10.7398  19.3442   C.ar     34 PHE33  13.5000
-   271 CD1     31.0227   9.7409  18.5082   C.ar     34 PHE33  13.0000
-   272 CD2     32.9318  10.8138  19.6152   C.ar     34 PHE33  14.0000
-   273 CE1     31.8957   8.7989  17.9622   C.ar     34 PHE33  13.1000
-   274 CE2     33.7907   9.8549  19.0772   C.ar     34 PHE33  14.3000
-   275 CZ      33.2727   8.8459  18.2482   C.ar     34 PHE33  12.9000
-   276 N       28.3679  13.9938  20.0702   N.am     35 LYS34  19.0000
-   277 CA      27.4489  14.7368  20.8882   C.3      35 LYS34  21.5000
-   278 C       26.0649  14.6448  20.2962   C.2      35 LYS34  21.1000
-   279 O       25.0849  14.7228  21.0252   O.2      35 LYS34  21.5000
-   280 CB      27.8490  16.2108  20.9642   C.3      35 LYS34  23.9000
-   281 CG      28.9520  16.4468  21.9923   C.3      35 LYS34  29.0000
-   282 CD      28.9730  17.9047  22.5143   C.3      35 LYS34  33.6000
-   283 CE      29.0781  18.9387  21.3673   C.3      35 LYS34  36.1000
-   284 NZ      29.4652  20.2827  21.8163   N.3      35 LYS34  37.8000
-   285 N       25.9359  14.8298  18.9742   N.am     36 SER35  20.2000
-   286 CA      24.6199  14.8458  18.3842   C.3      36 SER35  19.6000
-   287 C       23.9318  13.4868  18.3722   C.2      36 SER35  19.5000
-   288 O       22.7348  13.4218  18.2162   O.2      36 SER35  18.7000
-   289 CB      24.7589  15.3398  16.9542   C.3      36 SER35  20.4000
-   290 OG      25.2420  16.6607  16.9992   O.3      36 SER35  22.4000
-   291 N       24.7108  12.4408  18.1322   N.am     37 HIS36  18.7000
-   292 CA      24.1837  11.1128  18.0372   C.3      37 HIS36  18.1000
-   293 C       25.0497  10.2048  18.8452   C.2      37 HIS36  17.9000
-   294 O       25.7446   9.3439  18.3002   O.2      37 HIS36  17.6000
-   295 CB      24.1767  10.6748  16.5692   C.3      37 HIS36  18.3000
-   296 CG      23.5077  11.6488  15.6462   C.2      37 HIS36  18.4000
-   297 ND1     22.1697  11.6478  15.3682   N.2      37 HIS36  18.4000
-   298 CD2     24.0528  12.6038  14.8812   C.2      37 HIS36  17.1000
-   299 CE1     21.9187  12.5848  14.4192   C.2      37 HIS36  18.3000
-   300 NE2     23.0048  13.1078  14.0912   N.2      37 HIS36  18.9000
-   301 N       24.7217  10.1548  20.1502   N.am     38 PRO37  17.9000
-   302 CA      25.4816   9.4329  21.1463   C.3      38 PRO37  17.5000
-   303 C       25.4956   7.9719  20.8842   C.2      38 PRO37  17.7000
-   304 O       26.4105   7.2509  21.2903   O.2      38 PRO37  17.7000
-   305 CB      24.8036   9.7849  22.4453   C.3      38 PRO37  17.7000
-   306 CG      24.1327  11.1148  22.2153   C.3      38 PRO37  18.1000
-   307 CD      23.8057  11.1478  20.7372   C.3      38 PRO37  17.6000
-   308 N       24.4445   7.4879  20.2732   N.am     39 GLU38  18.5000
-   309 CA      24.4875   6.0639  19.9922   C.3      39 GLU38  19.5000
-   310 C       25.7015   5.6869  19.1182   C.2      39 GLU38  19.2000
-   311 O       26.1684   4.5699  19.1892   O.2      39 GLU38  20.1000
-   312 CB      23.2024   5.6139  19.3162   C.3      39 GLU38  19.4000
-   313 CG      22.9925   6.1809  17.9312   C.3      39 GLU38  21.6000
-   314 CD      22.1215   7.4169  17.9722   C.ar     39 GLU38  24.5000
-   315 OE1     22.2426   8.2059  18.9252   O.co2    39 GLU38  24.9000
-   316 OE2     21.3165   7.5939  17.0592   O.co2    39 GLU38  26.5000
-   317 N       26.1805   6.5509  18.1992   N.am     40 THR39  17.8000
-   318 CA      27.3305   6.1609  17.3912   C.3      40 THR39  16.8000
-   319 C       28.6065   5.8879  18.2182   C.2      40 THR39  17.0000
-   320 O       29.4485   5.0429  17.8582   O.2      40 THR39  17.5000
-   321 CB      27.6036   7.2579  16.3492   C.3      40 THR39  15.5000
-   322 OG1     27.9256   8.4899  17.0302   O.3      40 THR39  13.9000
-   323 CG2     26.4355   7.3859  15.4382   C.3      40 THR39  14.4000
-   324 N       28.7525   6.5209  19.3932   N.am     41 LEU40  16.1000
-   325 CA      29.9215   6.3159  20.2082   C.3      41 LEU40  16.9000
-   326 C       30.0035   4.8789  20.6612   C.2      41 LEU40  17.5000
-   327 O       31.0984   4.3429  20.8832   O.2      41 LEU40  17.3000
-   328 CB      29.8246   7.1859  21.4463   C.3      41 LEU40  17.6000
-   329 CG      30.9836   7.1499  22.4193   C.3      41 LEU40  18.2000
-   330 CD1     32.3156   7.3629  21.6983   C.3      41 LEU40  20.6000
-   331 CD2     30.8136   8.2679  23.4203   C.3      41 LEU40  19.1000
-   332 N       28.8454   4.2199  20.7962   N.am     42 GLU41  18.7000
-   333 CA      28.8614   2.8560  21.2743   C.3      42 GLU41  20.5000
-   334 C       29.5343   1.9340  20.3162   C.2      42 GLU41  20.3000
-   335 O       29.8013   0.7850  20.6572   O.2      42 GLU41  19.9000
-   336 CB      27.4653   2.3230  21.4413   C.3      42 GLU41  24.6000
-   337 CG      26.6924   3.0470  22.5233   C.3      42 GLU41  31.6000
-   338 CD      25.4043   2.3170  22.8393   C.ar     42 GLU41  35.8000
-   339 OE1     25.4483   1.5020  23.7843   O.co2    42 GLU41  38.5000
-   340 OE2     24.3483   2.6710  22.2493   O.co2    42 GLU41  38.6000
-   341 N       29.6703   2.3590  19.0682   N.am     43 LYS42  18.7000
-   342 CA      30.2793   1.4950  18.1022   C.3      43 LYS42  18.4000
-   343 C       31.7703   1.4530  18.2032   C.2      43 LYS42  17.6000
-   344 O       32.3783   0.5380  17.6992   O.2      43 LYS42  17.4000
-   345 CB      29.9253   1.9790  16.6992   C.3      43 LYS42  18.7000
-   346 CG      28.4913   1.6040  16.3162   C.3      43 LYS42  21.3000
-   347 CD      28.3842   0.0870  16.1302   C.3      43 LYS42  21.2000
-   348 CE      26.9912  -0.2150  15.6752   C.3      43 LYS42  21.4000
-   349 NZ      26.8601  -1.6250  15.4282   N.3      43 LYS42  22.0000
-   350 N       32.3644   2.3170  18.9992   N.am     44 PHE43  16.7000
-   351 CA      33.8074   2.3500  19.0852   C.3      44 PHE43  18.4000
-   352 C       34.2864   1.7310  20.3942   C.2      44 PHE43  19.7000
-   353 O       34.3814   2.4660  21.3753   O.2      44 PHE43  18.7000
-   354 CB      34.3084   3.8189  19.0302   C.3      44 PHE43  16.3000
-   355 CG      34.0655   4.4479  17.6412   C.ar     44 PHE43  17.2000
-   356 CD1     32.8635   5.0999  17.3632   C.ar     44 PHE43  15.7000
-   357 CD2     35.0485   4.3739  16.6422   C.ar     44 PHE43  17.5000
-   358 CE1     32.6285   5.7149  16.1282   C.ar     44 PHE43  16.0000
-   359 CE2     34.8015   4.9859  15.3942   C.ar     44 PHE43  17.0000
-   360 CZ      33.6085   5.6699  15.1472   C.ar     44 PHE43  15.9000
-   361 N       34.7933   0.4950  20.3912   N.am     45 ASP44  21.4000
-   362 CA      35.2723  -0.0520  21.6603   C.3      45 ASP44  24.1000
-   363 C       36.4313   0.7310  22.2713   C.2      45 ASP44  23.8000
-   364 O       36.4173   0.9810  23.4723   O.2      45 ASP44  23.6000
-   365 CB      35.7582  -1.4760  21.4833   C.3      45 ASP44  27.9000
-   366 CG      34.5772  -2.4070  21.3023   C.ar     45 ASP44  32.9000
-   367 OD1     33.4392  -1.9560  21.5903   O.co2    45 ASP44  34.8000
-   368 OD2     34.7341  -3.3000  20.4382   O.co2    45 ASP44  36.8000
-   369 N       37.1514   1.4930  21.4603   N.am     46 ARG45  22.7000
-   370 CA      38.2904   2.2380  21.9553   C.3      46 ARG45  22.4000
-   371 C       37.8465   3.5199  22.6373   C.2      46 ARG45  21.1000
-   372 O       38.6365   4.1849  23.3133   O.2      46 ARG45  20.6000
-   373 CB      39.1484   2.6710  20.7592   C.3      46 ARG45  25.2000
-   374 CG      40.4974   2.0010  20.5502   C.3      46 ARG45  29.5000
-   375 CD      41.0384   2.1810  19.0982   C.3      46 ARG45  31.5000
-   376 NE      42.0205   3.2540  18.9282   N.2      46 ARG45  33.8000
-   377 CZ      42.0525   3.9759  17.7712   C.ar     46 ARG45  36.0000
-   378 NH1     41.3625   3.5739  16.7052   N.pl3    46 ARG45  36.1000
-   379 NH2     42.9426   4.9889  17.5732   N.pl3    46 ARG45  37.5000
-   380 N       36.7045   4.0669  22.2263   N.am     47 PHE46  19.7000
-   381 CA      36.3375   5.3809  22.7523   C.3      47 PHE46  19.3000
-   382 C       35.0175   5.4619  23.5243   C.2      47 PHE46  18.7000
-   383 O       34.6666   6.5309  24.0343   O.2      47 PHE46  17.5000
-   384 CB      36.1696   6.4009  21.5883   C.3      47 PHE46  19.4000
-   385 CG      37.2966   6.5079  20.5952   C.ar     47 PHE46  19.7000
-   386 CD1     38.5856   6.6899  21.0332   C.ar     47 PHE46  20.0000
-   387 CD2     37.0436   6.2029  19.2522   C.ar     47 PHE46  20.6000
-   388 CE1     39.6276   6.5249  20.1362   C.ar     47 PHE46  20.9000
-   389 CE2     38.1036   6.0299  18.3612   C.ar     47 PHE46  20.2000
-   390 CZ      39.3996   6.1849  18.8022   C.ar     47 PHE46  20.6000
-   391 N       34.3095   4.3609  23.7203   N.am     48 LYS47  18.5000
-   392 CA      33.0265   4.5279  24.3293   C.3      48 LYS47  20.4000
-   393 C       33.0425   4.8529  25.8203   C.2      48 LYS47  20.4000
-   394 O       32.0125   5.1489  26.3633   O.2      48 LYS47  21.1000
-   395 CB      32.1984   3.3130  24.0823   C.3      48 LYS47  21.3000
-   396 CG      32.8284   2.0890  24.6773   C.3      48 LYS47  24.7000
-   397 CD      31.8173   1.0030  24.4333   C.3      48 LYS47  28.0000
-   398 CE      32.4082  -0.3080  24.8743   C.3      48 LYS47  31.6000
-   399 NZ      31.5952  -1.3370  24.2483   N.3      48 LYS47  36.3000
-   400 N       34.1895   4.9479  26.4593   N.am     49 HIS48  19.6000
-   401 CA      34.1805   5.3089  27.8723   C.3      49 HIS48  19.6000
-   402 C       34.2466   6.8219  28.0053   C.2      49 HIS48  19.3000
-   403 O       34.2006   7.3509  29.1073   O.2      49 HIS48  19.4000
-   404 CB      35.4165   4.7469  28.5883   C.3      49 HIS48  19.6000
-   405 CG      36.6935   5.1759  27.9173   C.2      49 HIS48  21.0000
-   406 ND1     37.1465   4.8529  26.5573   N.2      49 HIS48  21.2000
-   407 CD2     37.6116   6.1029  28.3803   C.2      49 HIS48  21.8000
-   408 CE1     38.2346   5.5279  26.2073   C.2      49 HIS48  22.4000
-   409 NE2     38.5166   6.2629  27.2813   N.2      49 HIS48  22.9000
-   410 N       34.4796   7.5499  26.9023   N.am     50 LEU49  18.0000
-   411 CA      34.6217   8.9839  26.9763   C.3      50 LEU49  17.9000
-   412 C       33.3027   9.6119  27.3983   C.2      50 LEU49  17.7000
-   413 O       32.2617   9.3689  26.7983   O.2      50 LEU49  18.1000
-   414 CB      35.1147   9.4999  25.6093   C.3      50 LEU49  17.7000
-   415 CG      36.5137   9.0419  25.2113   C.3      50 LEU49  16.6000
-   416 CD1     36.8467   9.5229  23.8183   C.3      50 LEU49  17.3000
-   417 CD2     37.5307   9.5689  26.1873   C.3      50 LEU49  17.8000
-   418 N       33.3117  10.4008  28.4653   N.am     51 LYS50  17.2000
-   419 CA      32.0508  10.9288  28.9993   C.3      51 LYS50  17.6000
-   420 C       31.7578  12.3898  28.6733   C.2      51 LYS50  16.8000
-   421 O       30.6058  12.7678  28.6863   O.2      51 LYS50  18.7000
-   422 CB      32.0247  10.8258  30.5364   C.3      51 LYS50  18.8000
-   423 CG      32.4977   9.4899  31.1154   C.3      51 LYS50  20.6000
-   424 CD      32.7027   9.6279  32.6464   C.3      51 LYS50  22.5000
-   425 CE      32.8226   8.2619  33.3594   C.3      51 LYS50  23.1000
-   426 NZ      31.6336   7.4399  33.1284   N.3      51 LYS50  23.7000
-   427 N       32.7419  13.2178  28.3753   N.am     52 THR51  15.2000
-   428 CA      32.5089  14.6208  28.1043   C.3      52 THR51  14.7000
-   429 C       33.2630  15.0818  26.8473   C.2      52 THR51  15.2000
-   430 O       34.3569  14.5398  26.5073   O.2      52 THR51  15.1000
-   431 CB      32.9880  15.4778  29.3303   C.3      52 THR51  14.0000
-   432 OG1     34.4190  15.3368  29.4673   O.3      52 THR51  13.9000
-   433 CG2     32.3429  15.0068  30.6174   C.3      52 THR51  14.1000
-   434 N       32.9570  16.3118  26.4163   N.am     53 GLU52  15.8000
-   435 CA      33.6220  16.8577  25.2663   C.3      53 GLU52  16.4000
-   436 C       35.0361  17.1927  25.6263   C.2      53 GLU52  16.3000
-   437 O       35.9741  16.9027  24.8583   O.2      53 GLU52  16.4000
-   438 CB      32.9291  18.1087  24.8153   C.3      53 GLU52  18.8000
-   439 CG      33.7731  18.8577  23.7823   C.3      53 GLU52  23.3000
-   440 CD      32.9632  20.0007  23.1623   C.ar     53 GLU52  26.4000
-   441 OE1     31.7242  19.9897  23.3633   O.co2    53 GLU52  28.2000
-   442 OE2     33.5642  20.8987  22.5213   O.co2    53 GLU52  28.1000
-   443 N       35.2331  17.4577  26.9363   N.am     54 ALA53  15.1000
-   444 CA      36.5281  17.7797  27.3983   C.3      54 ALA53  14.5000
-   445 C       37.3411  16.5238  27.3253   C.2      54 ALA53  14.6000
-   446 O       38.4891  16.5278  26.8593   O.2      54 ALA53  15.7000
-   447 CB      36.4451  18.2217  28.8723   C.3      54 ALA53  15.7000
-   448 N       36.7780  15.3728  27.6533   N.am     55 GLU54  14.1000
-   449 CA      37.5869  14.1808  27.5733   C.3      55 GLU54  13.7000
-   450 C       37.8799  13.8438  26.1313   C.2      55 GLU54  13.8000
-   451 O       38.9369  13.3128  25.7843   O.2      55 GLU54  12.6000
-   452 CB      36.8229  13.0358  28.2073   C.3      55 GLU54  14.9000
-   453 CG      37.0169  13.0748  29.7084   C.3      55 GLU54  16.4000
-   454 CD      36.3368  11.9388  30.4594   C.ar     55 GLU54  18.4000
-   455 OE1     35.7268  11.0808  29.8184   O.co2    55 GLU54  18.6000
-   456 OE2     36.2768  12.0128  31.7064   O.co2    55 GLU54  19.3000
-   457 N       36.9079  14.0708  25.2653   N.am     56 MET55  14.0000
-   458 CA      37.1309  13.7938  23.8403   C.3      56 MET55  14.3000
-   459 C       38.2370  14.6438  23.2393   C.2      56 MET55  14.4000
-   460 O       39.0660  14.1498  22.4853   O.2      56 MET55  13.5000
-   461 CB      35.8639  14.0988  23.1123   C.3      56 MET55  14.7000
-   462 CG      34.8409  12.9678  23.3123   C.3      56 MET55  15.6000
-   463 SD      33.2349  13.5038  22.7333   S.3      56 MET55  17.0000
-   464 CE      32.2608  12.3268  23.6593   C.3      56 MET55  18.8000
-   465 N       38.2510  15.9358  23.5353   N.am     57 LYS56  15.1000
-   466 CA      39.3011  16.7367  22.9693   C.3      57 LYS56  17.7000
-   467 C       40.6531  16.3028  23.4283   C.2      57 LYS56  17.5000
-   468 O       41.6521  16.7057  22.8263   O.2      57 LYS56  17.7000
-   469 CB      39.1951  18.1797  23.3623   C.3      57 LYS56  20.1000
-   470 CG      37.8382  18.6977  23.0063   C.3      57 LYS56  25.5000
-   471 CD      37.8442  20.2107  23.1953   C.3      57 LYS56  29.9000
-   472 CE      36.5982  20.8017  22.5493   C.3      57 LYS56  31.9000
-   473 NZ      36.7123  22.2417  22.5363   N.3      57 LYS56  34.5000
-   474 N       40.7110  15.8798  24.6893   N.am     58 ALA57  16.6000
-   475 CA      41.9850  15.4878  25.2503   C.3      58 ALA57  15.8000
-   476 C       42.4370  14.1148  24.8043   C.2      58 ALA57  16.5000
-   477 O       43.6180  13.8278  24.9033   O.2      58 ALA57  18.1000
-   478 CB      41.8550  15.5098  26.7693   C.3      58 ALA57  14.9000
-   479 N       41.6339  13.3328  24.0833   N.am     59 SER58  15.0000
-   480 CA      42.0569  12.0038  23.7123   C.3      59 SER58  15.2000
-   481 C       42.9959  11.9648  22.5133   C.2      59 SER58  16.6000
-   482 O       42.6669  12.3498  21.3823   O.2      59 SER58  15.4000
-   483 CB      40.8498  11.1138  23.3943   C.3      59 SER58  14.3000
-   484 OG      41.3088   9.8739  22.8053   O.3      59 SER58  13.4000
-   485 N       44.2129  11.5558  22.7303   N.am     60 GLU59  17.3000
-   486 CA      45.1219  11.4998  21.6153   C.3      60 GLU59  20.5000
-   487 C       44.7638  10.3708  20.6462   C.2      60 GLU59  19.6000
-   488 O       44.8688  10.5198  19.4312   O.2      60 GLU59  19.5000
-   489 CB      46.5119  11.3088  22.1413   C.3      60 GLU59  23.8000
-   490 CG      47.4629  12.0518  21.2503   C.3      60 GLU59  32.2000
-   491 CD      47.4850  13.5208  21.6483   C.ar     60 GLU59  36.7000
-   492 OE1     46.9260  13.8158  22.7333   O.co2    60 GLU59  39.7000
-   493 OE2     47.7060  14.3508  20.7442   O.co2    60 GLU59  38.7000
-   494 N       44.1518   9.2959  21.1243   N.am     61 ASP60  18.6000
-   495 CA      43.7997   8.2519  20.2302   C.3      61 ASP60  18.8000
-   496 C       42.6937   8.7509  19.3372   C.2      61 ASP60  17.4000
-   497 O       42.6827   8.3549  18.1692   O.2      61 ASP60  17.1000
-   498 CB      43.2967   7.0119  20.9602   C.3      61 ASP60  22.6000
-   499 CG      44.4596   6.1149  21.4483   C.ar     61 ASP60  27.7000
-   500 OD1     45.6507   6.5099  21.2903   O.co2    61 ASP60  29.8000
-   501 OD2     44.1736   5.2409  22.2813   O.co2    61 ASP60  30.3000
-   502 N       41.6888   9.4699  19.8742   N.am     62 LEU61  14.4000
-   503 CA      40.6068   9.9889  19.0222   C.3      62 LEU61  14.8000
-   504 C       41.1398  10.9358  17.9442   C.2      62 LEU61  14.1000
-   505 O       40.6618  10.9418  16.8042   O.2      62 LEU61  12.3000
-   506 CB      39.5638  10.7598  19.8112   C.3      62 LEU61  13.4000
-   507 CG      38.3228  11.2138  19.0742   C.3      62 LEU61  14.2000
-   508 CD1     37.6788   9.9958  18.4322   C.3      62 LEU61  14.7000
-   509 CD2     37.3468  11.9138  20.0132   C.3      62 LEU61  13.9000
-   510 N       42.0959  11.7998  18.3042   N.am     63 LYS62  12.7000
-   511 CA      42.6069  12.6738  17.2692   C.3      63 LYS62  13.4000
-   512 C       43.3699  11.8728  16.2012   C.2      63 LYS62  14.1000
-   513 O       43.2019  12.0988  15.0142   O.2      63 LYS62  13.0000
-   514 CB      43.5320  13.7008  17.9142   C.3      63 LYS62  15.8000
-   515 CG      44.3660  14.5008  16.9442   C.3      63 LYS62  17.7000
-   516 CD      44.6101  15.8188  17.6032   C.3      63 LYS62  23.7000
-   517 CE      45.9131  15.7738  18.3532   C.3      63 LYS62  26.5000
-   518 NZ      46.7980  14.8138  17.7132   N.3      63 LYS62  30.4000
-   519 N       44.0798  10.8048  16.5532   N.am     64 LYS63  13.7000
-   520 CA      44.7838  10.0808  15.5142   C.3      64 LYS63  15.9000
-   521 C       43.7828   9.4009  14.6152   C.2      64 LYS63  14.7000
-   522 O       43.9558   9.3489  13.4022   O.2      64 LYS63  15.0000
-   523 CB      45.6408   9.0019  16.1452   C.3      64 LYS63  16.9000
-   524 CG      46.8498   9.6039  16.8572   C.3      64 LYS63  23.5000
-   525 CD      47.8688   8.4739  17.0992   C.3      64 LYS63  28.4000
-   526 CE      47.5747   7.6469  18.3592   C.3      64 LYS63  31.5000
-   527 NZ      48.8247   7.1719  18.9942   N.3      64 LYS63  34.9000
-   528 N       42.6877   8.9299  15.1972   N.am     65 HIS64  12.7000
-   529 CA      41.6847   8.2299  14.4292   C.3      65 HIS64  12.2000
-   530 C       41.0067   9.2079  13.4732   C.2      65 HIS64  11.5000
-   531 O       40.7047   8.8369  12.3311   O.2      65 HIS64  11.4000
-   532 CB      40.6507   7.6439  15.3932   C.3      65 HIS64  13.7000
-   533 CG      39.3496   7.1189  14.7512   C.2      65 HIS64  15.0000
-   534 ND1     39.5156   5.8999  14.1192   N.2      65 HIS64  14.4000
-   535 CD2     38.0497   7.7059  14.7572   C.2      65 HIS64  15.6000
-   536 CE1     38.4046   5.6459  13.5062   C.2      65 HIS64  14.7000
-   537 NE2     37.5616   6.6619  13.8662   N.2      65 HIS64  15.6000
-   538 N       40.7028  10.4378  13.9342   N.am     66 GLY65  10.1000
-   539 CA      40.0768  11.4258  13.0372   C.3      66 GLY65   9.7000
-   540 C       40.9729  11.7038  11.8141   C.2      66 GLY65   9.5000
-   541 O       40.4449  11.8678  10.7201   O.2      66 GLY65   8.8000
-   542 N       42.3139  11.7238  11.9811   N.am     67 VAL66   8.7000
-   543 CA      43.2099  11.9688  10.8641   C.3      67 VAL66   9.9000
-   544 C       43.1388  10.7678   9.9101   C.2      67 VAL66  10.1000
-   545 O       43.1178  10.9448   8.6721   O.2      67 VAL66  11.0000
-   546 CB      44.6569  12.1788  11.3701   C.3      67 VAL66  10.8000
-   547 CG1     45.6069  12.2238  10.1681   C.3      67 VAL66  11.1000
-   548 CG2     44.8190  13.4818  12.1551   C.3      67 VAL66   9.5000
-   549 N       43.1048   9.5539  10.4491   N.am     68 THR67   9.7000
-   550 CA      42.9897   8.3519   9.5971   C.3      68 THR67  12.1000
-   551 C       41.7257   8.3999   8.7271   C.2      68 THR67  11.4000
-   552 O       41.7597   8.1829   7.4981   O.2      68 THR67  11.4000
-   553 CB      42.9547   7.0719  10.4591   C.3      68 THR67  12.7000
-   554 OG1     44.2377   6.9839  11.0701   O.3      68 THR67  14.1000
-   555 CG2     42.7776   5.8169   9.6211   C.3      68 THR67  13.4000
-   556 N       40.5807   8.6749   9.3731   N.am     69 VAL68   9.8000
-   557 CA      39.3227   8.7689   8.6921   C.3      69 VAL68   9.7000
-   558 C       39.3018   9.8949   7.6591   C.2      69 VAL68   9.8000
-   559 O       38.9118   9.6359   6.5101   O.2      69 VAL68   9.0000
-   560 CB      38.1887   8.9809   9.7171   C.3      69 VAL68   9.1000
-   561 CG1     36.8587   9.1989   8.9871   C.3      69 VAL68  10.2000
-   562 CG2     38.1237   7.7539  10.6541   C.3      69 VAL68   9.5000
-   563 N       39.7198  11.1348   8.0191   N.am     70 LEU69   9.7000
-   564 CA      39.6239  12.1718   7.0061   C.3      70 LEU69  10.9000
-   565 C       40.5759  11.9008   5.8501   C.2      70 LEU69  10.2000
-   566 O       40.3639  12.3478   4.7401   O.2      70 LEU69  11.1000
-   567 CB      39.8739  13.5818   7.5771   C.3      70 LEU69  10.0000
-   568 CG      38.8170  14.0928   8.5461   C.3      70 LEU69  12.4000
-   569 CD1     39.0730  15.5638   8.9121   C.3      70 LEU69  11.8000
-   570 CD2     37.4509  13.9308   7.9631   C.3      70 LEU69  14.8000
-   571 N       41.7479  11.3708   6.1271   N.am     71 THR70  10.9000
-   572 CA      42.6758  11.0598   5.0421   C.3      71 THR70  11.5000
-   573 C       41.9918  10.0568   4.0890   C.2      71 THR70  11.1000
-   574 O       42.1148  10.1938   2.8510   O.2      71 THR70  11.0000
-   575 CB      43.9788  10.4388   5.6321   C.3      71 THR70  11.7000
-   576 OG1     44.4689  11.4518   6.5031   O.3      71 THR70  14.0000
-   577 CG2     45.0368  10.1138   4.5731   C.3      71 THR70  13.3000
-   578 N       41.3577   8.9869   4.6211   N.am     72 ALA71   9.1000
-   579 CA      40.6847   8.0319   3.7120   C.3      72 ALA71  10.3000
-   580 C       39.5307   8.6449   2.9190   C.2      72 ALA71   9.7000
-   581 O       39.4187   8.4419   1.7050   O.2      72 ALA71   9.1000
-   582 CB      40.0896   6.8479   4.4941   C.3      72 ALA71  10.3000
-   583 N       38.8067   9.6039   3.5050   N.am     73 LEU72   8.9000
-   584 CA      37.6928  10.2728   2.8380   C.3      73 LEU72   9.9000
-   585 C       38.2198  11.2228   1.7690   C.2      73 LEU72  10.2000
-   586 O       37.7068  11.3128   0.6410   O.2      73 LEU72   9.9000
-   587 CB      36.8278  11.0288   3.8530   C.3      73 LEU72   9.6000
-   588 CG      35.6638  11.8378   3.2620   C.3      73 LEU72  12.9000
-   589 CD1     34.7928  10.9118   2.4070   C.3      73 LEU72  13.1000
-   590 CD2     34.8659  12.6098   4.3221   C.3      73 LEU72  12.7000
-   591 N       39.3079  11.9268   2.0800   N.am     74 GLY73  10.8000
-   592 CA      39.8669  12.8448   1.1180   C.3      74 GLY73  10.6000
-   593 C       40.3329  12.0478  -0.1120   C.2      74 GLY73  10.6000
-   594 O       40.3549  12.5828  -1.2130   O.2      74 GLY73   9.8000
-   595 N       40.9468  10.8828   0.0950   N.am     75 ALA74  10.8000
-   596 CA      41.4558  10.1198  -1.0420   C.3      75 ALA74  11.9000
-   597 C       40.3308   9.6889  -1.9750   C.2      75 ALA74  12.1000
-   598 O       40.4668   9.7489  -3.2190   O.2      75 ALA74  12.1000
-   599 CB      42.1687   8.8779  -0.5280   C.3      75 ALA74  11.2000
-   600 N       39.1467   9.4909  -1.3920   N.am     76 ILE75  10.6000
-   601 CA      37.9757   9.0999  -2.1590   C.3      76 ILE75  10.8000
-   602 C       37.3838  10.2858  -2.9170   C.2      76 ILE75  10.9000
-   603 O       37.1878  10.2348  -4.1450   O.2      76 ILE75  10.8000
-   604 CB      36.9387   8.4949  -1.1980   C.3      76 ILE75  10.2000
-   605 CG1     37.3786   7.0779  -0.8430   C.3      76 ILE75  11.2000
-   606 CG2     35.5427   8.5399  -1.8350   C.3      76 ILE75  11.5000
-   607 CD1     36.8346   6.4989   0.4910   C.3      76 ILE75  12.6000
-   608 N       37.3408  11.4378  -2.2740   N.am     77 LEU76  10.2000
-   609 CA      36.8529  12.6188  -2.9600   C.3      77 LEU76  11.1000
-   610 C       37.7779  13.0848  -4.1000   C.2      77 LEU76  10.5000
-   611 O       37.2919  13.4808  -5.1781   O.2      77 LEU76  10.8000
-   612 CB      36.7149  13.8148  -1.9990   C.3      77 LEU76  10.7000
-   613 CG      35.7149  13.6318  -0.8640   C.3      77 LEU76  12.5000
-   614 CD1     35.8290  14.8268   0.1320   C.3      77 LEU76  12.1000
-   615 CD2     34.2869  13.3878  -1.3860   C.3      77 LEU76  12.6000
-   616 N       39.0789  12.8898  -3.9550   N.am     78 LYS77   9.9000
-   617 CA      39.9849  13.3368  -4.9691   C.3      78 LYS77  10.2000
-   618 C       39.8919  12.4758  -6.2331   C.2      78 LYS77  11.8000
-   619 O       40.4259  12.8648  -7.2811   O.2      78 LYS77  11.9000
-   620 CB      41.3769  13.3568  -4.3891   C.3      78 LYS77  10.8000
-   621 CG      41.6330  14.6268  -3.5430   C.3      78 LYS77  11.4000
-   622 CD      42.9130  14.4248  -2.7670   C.3      78 LYS77  13.6000
-   623 CE      43.1681  15.5768  -1.8100   C.3      78 LYS77  15.0000
-   624 NZ      44.4801  15.3998  -1.2160   N.3      78 LYS77  16.3000
-   625 N       39.2538  11.2798  -6.1271   N.am     79 LYS78  11.9000
-   626 CA      39.0368  10.3878  -7.2841   C.3      79 LYS78  13.8000
-   627 C       37.9418  10.9318  -8.2201   C.2      79 LYS78  13.3000
-   628 O       37.7278  10.3278  -9.2821   O.2      79 LYS78  12.9000
-   629 CB      38.5927   8.9879  -6.8541   C.3      79 LYS78  14.7000
-   630 CG      39.6567   8.1719  -6.1401   C.3      79 LYS78  17.8000
-   631 CD      41.0477   8.3719  -6.7401   C.3      79 LYS78  21.6000
-   632 CE      41.2187   7.5939  -8.0361   C.3      79 LYS78  22.9000
-   633 NZ      41.0076   6.1669  -7.7741   N.3      79 LYS78  27.3000
-   634 N       37.0548  11.7918  -7.6741   N.am     80 LYS79  12.2000
-   635 CA      35.9679  12.3778  -8.4531   C.3      80 LYS79  12.9000
-   636 C       35.0318  11.3398  -9.0411   C.2      80 LYS79  13.3000
-   637 O       34.6558  11.3718 -10.2361   O.2      80 LYS79  12.7000
-   638 CB      36.5379  13.3338  -9.5091   C.3      80 LYS79  12.5000
-   639 CG      37.3240  14.4468  -8.8111   C.3      80 LYS79  13.9000
-   640 CD      38.2600  15.1148  -9.7921   C.3      80 LYS79  18.2000
-   641 CE      37.5170  16.1538 -10.5711   C.3      80 LYS79  20.1000
-   642 NZ      38.4131  16.6917 -11.5881   N.3      80 LYS79  22.9000
-   643 N       34.6268  10.4048  -8.1641   N.am     81 GLY80  12.1000
-   644 CA      33.6907   9.3719  -8.5561   C.3      81 GLY80  12.5000
-   645 C       34.3476   8.0849  -9.0571   C.2      81 GLY80  12.3000
-   646 O       33.7066   7.0439  -9.0461   O.2      81 GLY80  14.8000
-   647 N       35.6367   8.0489  -9.3441   N.am     82 HIS81  11.7000
-   648 CA      36.2606   6.8009  -9.8201   C.3      82 HIS81  12.1000
-   649 C       36.8366   6.1739  -8.5751   C.2      82 HIS81  12.5000
-   650 O       38.0506   5.9789  -8.5051   O.2      82 HIS81  12.9000
-   651 CB      37.4446   7.1659 -10.7101   C.3      82 HIS81  12.4000
-   652 CG      36.7576   7.7419 -11.9501   C.2      82 HIS81  13.9000
-   653 ND1     36.5597   9.1059 -12.2511   N.2      82 HIS81  16.8000
-   654 CD2     36.3196   7.1119 -13.0532   C.2      82 HIS81  14.8000
-   655 CE1     36.1377   9.2579 -13.5252   C.2      82 HIS81  16.4000
-   656 NE2     36.0057   8.0739 -14.0652   N.2      82 HIS81  17.4000
-   657 N       36.0125   5.7299  -7.6341   N.am     83 HIS82  12.5000
-   658 CA      36.6135   5.3509  -6.3461   C.3      83 HIS82  13.3000
-   659 C       36.3955   3.8939  -5.9681   C.2      83 HIS82  15.7000
-   660 O       36.3485   3.5509  -4.7811   O.2      83 HIS82  15.5000
-   661 CB      36.0706   6.3249  -5.2941   C.3      83 HIS82  11.8000
-   662 CG      34.5756   6.4069  -5.2131   C.2      83 HIS82  11.9000
-   663 ND1     33.8596   7.5419  -5.1561   N.2      83 HIS82  12.8000
-   664 CD2     33.6505   5.3669  -5.3921   C.2      83 HIS82  12.4000
-   665 CE1     32.5806   7.1929  -5.3181   C.2      83 HIS82  13.7000
-   666 NE2     32.3505   5.9069  -5.5101   N.2      83 HIS82  13.9000
-   667 N       35.9014   3.1180  -6.9311   N.am     84 GLU83  17.0000
-   668 CA      35.6814   1.7290  -6.7411   C.3      84 GLU83  18.7000
-   669 C       36.7773   1.0280  -5.9251   C.2      84 GLU83  18.3000
-   670 O       36.5353   0.3300  -4.9291   O.2      84 GLU83  18.2000
-   671 CB      35.6833   1.0890  -8.1231   C.3      84 GLU83  22.6000
-   672 CG      35.1734   2.0170  -9.2211   C.3      84 GLU83  30.1000
-   673 CD      36.1054   3.0730  -9.8501   C.ar     84 GLU83  33.1000
-   674 OE1     37.3114   2.8530 -10.1081   O.co2    84 GLU83  35.9000
-   675 OE2     35.5165   3.9639 -10.4351   O.co2    84 GLU83  37.1000
-   676 N       38.0434   1.2210  -6.2361   N.am     85 ALA84  17.8000
-   677 CA      39.0203   0.4790  -5.4721   C.3      85 ALA84  17.3000
-   678 C       39.1294   0.9280  -4.0520   C.2      85 ALA84  17.5000
-   679 O       39.3553   0.1060  -3.1670   O.2      85 ALA84  18.5000
-   680 CB      40.3994   0.6160  -6.0481   C.3      85 ALA84  16.8000
-   681 N       39.0714   2.2250  -3.8180   N.am     86 GLU85  16.9000
-   682 CA      39.1784   2.7040  -2.4670   C.3      86 GLU85  16.8000
-   683 C       38.0104   2.2100  -1.6450   C.2      86 GLU85  16.6000
-   684 O       38.1284   2.0380  -0.4310   O.2      86 GLU85  16.5000
-   685 CB      39.1415   4.2219  -2.4220   C.3      86 GLU85  17.3000
-   686 CG      40.3975   4.8749  -2.9950   C.3      86 GLU85  19.9000
-   687 CD      40.6355   4.7059  -4.4991   C.ar     86 GLU85  21.0000
-   688 OE1     39.7025   4.5329  -5.3051   O.co2    86 GLU85  19.9000
-   689 OE2     41.6696   5.2299  -4.8981   O.co2    86 GLU85  25.0000
-   690 N       36.8334   2.1170  -2.2360   N.am     87 LEU86  15.5000
-   691 CA      35.7044   1.7640  -1.4590   C.3      87 LEU86  16.2000
-   692 C       35.6603   0.3030  -0.9800   C.2      87 LEU86  16.5000
-   693 O       34.9943  -0.0130  -0.0200   O.2      87 LEU86  15.5000
-   694 CB      34.4994   2.0610  -2.3080   C.3      87 LEU86  18.9000
-   695 CG      33.4294   2.9690  -1.7250   C.3      87 LEU86  22.9000
-   696 CD1     33.9975   4.3239  -1.3150   C.3      87 LEU86  23.4000
-   697 CD2     32.3374   3.1670  -2.7510   C.3      87 LEU86  23.0000
-   698 N       36.2553  -0.6260  -1.7140   N.am     88 LYS87  16.1000
-   699 CA      36.2162  -2.0190  -1.3680   C.3      88 LYS87  17.4000
-   700 C       36.6512  -2.3690   0.0650   C.2      88 LYS87  16.5000
-   701 O       35.9311  -3.0370   0.8210   O.2      88 LYS87  16.8000
-   702 CB      37.0592  -2.7930  -2.3990   C.3      88 LYS87  18.4000
-   703 CG      36.2731  -3.2590  -3.6160   C.3      88 LYS87  22.1000
-   704 CD      37.3081  -3.9489  -4.5241   C.3      88 LYS87  26.4000
-   705 CE      36.7351  -4.6019  -5.7831   C.3      88 LYS87  29.7000
-   706 NZ      35.4781  -3.9289  -6.1101   N.3      88 LYS87  34.2000
-   707 N       37.8592  -2.0560   0.5000   N.am     89 PRO88  16.1000
-   708 CA      38.2802  -2.4970   1.8250   C.3      89 PRO88  15.0000
-   709 C       37.5042  -1.7750   2.9110   C.2      89 PRO88  14.4000
-   710 O       37.1952  -2.3530   3.9770   O.2      89 PRO88  13.3000
-   711 CB      39.7412  -2.1380   1.8540   C.3      89 PRO88  16.6000
-   712 CG      39.9693  -1.0750   0.7670   C.3      89 PRO88  16.5000
-   713 CD      38.8693  -1.2850  -0.2530   C.3      89 PRO88  16.5000
-   714 N       37.0283  -0.5680   2.5720   N.am     90 LEU89  13.3000
-   715 CA      36.3033   0.2830   3.5250   C.3      90 LEU89  14.4000
-   716 C       34.9263  -0.2750   3.7900   C.2      90 LEU89  13.6000
-   717 O       34.5203  -0.4120   4.9541   O.2      90 LEU89  12.2000
-   718 CB      36.2334   1.6210   2.8550   C.3      90 LEU89  17.6000
-   719 CG      36.0364   2.8460   3.6780   C.3      90 LEU89  21.8000
-   720 CD1     34.6804   3.4769   3.3710   C.3      90 LEU89  22.6000
-   721 CD2     36.1814   2.4860   5.1531   C.3      90 LEU89  23.7000
-   722 N       34.2332  -0.6990   2.6930   N.am     91 ALA90  11.8000
-   723 CA      32.9202  -1.3120   2.7910   C.3      91 ALA90  11.6000
-   724 C       33.0831  -2.6540   3.5030   C.2      91 ALA90  11.3000
-   725 O       32.2931  -2.9830   4.3781   O.2      91 ALA90  11.0000
-   726 CB      32.3602  -1.6840   1.3830   C.3      91 ALA90  11.6000
-   727 N       34.1621  -3.4379   3.2220   N.am     92 GLN91  10.9000
-   728 CA      34.2671  -4.7359   3.9280   C.3      92 GLN91  10.5000
-   729 C       34.4671  -4.5809   5.4281   C.2      92 GLN91  11.4000
-   730 O       33.8100  -5.2419   6.2291   O.2      92 GLN91   9.6000
-   731 CB      35.3860  -5.6249   3.3880   C.3      92 GLN91  11.3000
-   732 CG      35.4880  -6.9529   4.1220   C.3      92 GLN91  12.0000
-   733 CD      36.5179  -7.8579   3.4550   C.2      92 GLN91  13.9000
-   734 OE1     37.6380  -7.4379   3.1760   O.2      92 GLN91  15.4000
-   735 NE2     36.1629  -9.1079   3.1670   N.am     92 GLN91  13.4000
-   736 N       35.3731  -3.6889   5.8731   N.am     93 SER92  12.0000
-   737 CA      35.5481  -3.5589   7.3221   C.3      93 SER92  12.2000
-   738 C       34.3421  -2.9250   8.0051   C.2      93 SER92  12.4000
-   739 O       33.9131  -3.4269   9.0621   O.2      93 SER92  11.8000
-   740 CB      36.7772  -2.7180   7.6881   C.3      93 SER92  13.7000
-   741 OG      36.6732  -1.4010   7.2101   O.3      93 SER92  12.9000
-   742 N       33.6432  -1.9650   7.3591   N.am     94 HIS93  11.2000
-   743 CA      32.5262  -1.3450   8.0641   C.3      94 HIS93  12.0000
-   744 C       31.3101  -2.2550   8.0591   C.2      94 HIS93  13.0000
-   745 O       30.4231  -2.0910   8.9121   O.2      94 HIS93  14.0000
-   746 CB      32.1723   0.0460   7.5251   C.3      94 HIS93  11.3000
-   747 CG      33.2393   1.0020   7.8621   C.2      94 HIS93  10.5000
-   748 ND1     34.5753   0.8240   7.6911   N.2      94 HIS93  11.4000
-   749 CD2     33.1754   2.0710   8.6981   C.2      94 HIS93  11.0000
-   750 CE1     35.3264   1.8480   8.2231   C.2      94 HIS93  12.3000
-   751 NE2     34.4854   2.5120   8.9341   N.2      94 HIS93  11.2000
-   752 N       31.1451  -3.0740   7.0171   N.am     95 ALA94  13.2000
-   753 CA      30.0231  -4.0009   7.0191   C.3      95 ALA94  13.6000
-   754 C       30.2830  -5.2909   7.8431   C.2      95 ALA94  15.2000
-   755 O       29.4870  -5.6159   8.7331   O.2      95 ALA94  15.9000
-   756 CB      29.7400  -4.5299   5.6171   C.3      95 ALA94  13.0000
-   757 N       31.5100  -5.8319   7.8151   N.am     96 THR95  15.2000
-   758 CA      31.6639  -7.0919   8.4641   C.3      96 THR95  16.3000
-   759 C       32.4349  -7.0839   9.7441   C.2      96 THR95  17.1000
-   760 O       32.0469  -7.8079  10.6731   O.2      96 THR95  17.0000
-   761 CB      31.9999  -8.2279   7.4101   C.3      96 THR95  18.1000
-   762 OG1     32.9588  -9.2169   7.8981   O.3      96 THR95  20.2000
-   763 CG2     32.2579  -7.6439   6.0781   C.3      96 THR95  15.1000
-   764 N       33.2280  -6.0649   9.9881   N.am     97 LYS96  16.7000
-   765 CA      33.8670  -6.0089  11.2951   C.3      97 LYS96  19.4000
-   766 C       33.2190  -5.0089  12.3061   C.2      97 LYS96  18.5000
-   767 O       32.6330  -5.3719  13.3452   O.2      97 LYS96  19.2000
-   768 CB      35.3340  -5.7039  11.1071   C.3      97 LYS96  20.5000
-   769 CG      36.0960  -5.7789  12.3971   C.3      97 LYS96  24.2000
-   770 CD      37.4371  -5.2739  11.9571   C.3      97 LYS96  29.2000
-   771 CE      38.4261  -5.2939  13.1082   C.3      97 LYS96  33.9000
-   772 NZ      37.7721  -4.9789  14.3862   N.3      97 LYS96  37.5000
-   773 N       33.0311  -3.7659  11.8741   N.am     98 HIS97  17.8000
-   774 CA      32.4881  -2.7280  12.7462   C.3      98 HIS97  16.9000
-   775 C       30.9691  -2.7500  12.7892   C.2      98 HIS97  18.7000
-   776 O       30.4151  -2.2340  13.7682   O.2      98 HIS97  19.1000
-   777 CB      32.9162  -1.3670  12.2031   C.3      98 HIS97  15.3000
-   778 CG      34.4122  -1.3150  12.0071   C.2      98 HIS97  13.8000
-   779 ND1     35.4252  -1.8580  12.8582   N.2      98 HIS97  14.2000
-   780 CD2     35.0602  -0.7350  10.8581   C.2      98 HIS97  14.5000
-   781 CE1     36.7382  -1.7360  12.3711   C.2      98 HIS97  13.3000
-   782 NE2     36.5152  -1.0570  11.1871   N.2      98 HIS97  14.5000
-   783 N       30.2911  -3.1930  11.6801   N.am     99 LYS98  19.0000
-   784 CA      28.8391  -3.2250  11.5631   C.3      99 LYS98  19.2000
-   785 C       28.2281  -1.8580  11.6791   C.2      99 LYS98  19.2000
-   786 O       27.4271  -1.5690  12.5561   O.2      99 LYS98  19.1000
-   787 CB      28.2620  -4.0839  12.6361   C.3      99 LYS98  22.5000
-   788 CG      28.3020  -5.5539  12.2551   C.3      99 LYS98  27.7000
-   789 CD      29.5950  -6.1099  12.8042   C.3      99 LYS98  31.4000
-   790 CE      29.4849  -7.6199  13.0022   C.3      99 LYS98  33.5000
-   791 NZ      30.8349  -8.1169  13.2682   N.3      99 LYS98  36.3000
-   792 N       28.4932  -1.0150  10.7051   N.am     100 ILE99  18.0000
-   793 CA      27.9862   0.3060  10.7231   C.3      100 ILE99  17.2000
-   794 C       26.8572   0.3440   9.7521   C.2      100 ILE99  17.7000
-   795 O       27.0762   0.2870   8.5291   O.2      100 ILE99  17.9000
-   796 CB      29.0963   1.2860  10.2711   C.3      100 ILE99  16.6000
-   797 CG1     30.4173   0.9880  10.9881   C.3      100 ILE99  15.4000
-   798 CG2     28.5934   2.7520  10.3491   C.3      100 ILE99  14.9000
-   799 CD1     30.3113   1.0090  12.5201   C.3      100 ILE99  15.8000
-   800 N       25.7042   0.8300  10.2241   N.am     101 PRO100  18.3000
-   801 CA      24.5472   0.9500   9.3431   C.3      101 PRO100  19.0000
-   802 C       24.6593   2.2120   8.4831   C.2      101 PRO100  19.0000
-   803 O       25.1553   3.2570   8.9231   O.2      101 PRO100  18.1000
-   804 CB      23.3412   1.0010  10.2761   C.3      101 PRO100  19.3000
-   805 CG      23.8682   1.0960  11.6991   C.3      101 PRO100  18.9000
-   806 CD      25.3572   0.8060  11.6551   C.3      101 PRO100  19.2000
-   807 N       23.9633   2.2010   7.3551   N.am     102 ILE101  19.6000
-   808 CA      23.9663   3.3419   6.4801   C.3      102 ILE101  20.2000
-   809 C       23.4884   4.5649   7.2051   C.2      102 ILE101  20.3000
-   810 O       23.9235   5.6749   6.9351   O.2      102 ILE101  20.9000
-   811 CB      23.0583   3.0480   5.2541   C.3      102 ILE101  21.7000
-   812 CG1     23.6903   1.9380   4.4071   C.3      102 ILE101  21.1000
-   813 CG2     22.8514   4.3089   4.4071   C.3      102 ILE101  21.0000
-   814 CD1     25.0243   2.3670   3.7700   C.3      102 ILE101  21.5000
-   815 N       22.4904   4.4199   8.0611   N.am     103 LYS102  19.2000
-   816 CA      21.9924   5.5719   8.7921   C.3      103 LYS102  19.4000
-   817 C       23.1315   6.2609   9.5731   C.2      103 LYS102  16.7000
-   818 O       23.0605   7.4749   9.7531   O.2      103 LYS102  14.3000
-   819 CB      20.8634   5.0429   9.6831   C.3      103 LYS102  23.2000
-   820 CG      20.5714   5.7999  10.9501   C.3      103 LYS102  29.6000
-   821 CD      19.7345   7.0279  10.6031   C.3      103 LYS102  34.4000
-   822 CE      18.3875   6.9859  11.3511   C.3      103 LYS102  37.1000
-   823 NZ      17.5565   8.1399  10.9781   N.3      103 LYS102  38.6000
-   824 N       24.1134   5.5209  10.1431   N.am     104 TYR103  13.1000
-   825 CA      25.2045   6.2189  10.8491   C.3      104 TYR103  13.3000
-   826 C       26.0965   7.0029   9.8711   C.2      104 TYR103  12.6000
-   827 O       26.7706   7.9809  10.2251   O.2      104 TYR103  12.5000
-   828 CB      26.1074   5.2619  11.6551   C.3      104 TYR103  13.2000
-   829 CG      25.4344   4.6829  12.9172   C.ar     104 TYR103  15.9000
-   830 CD1     24.0814   4.8919  13.1462   C.ar     104 TYR103  16.9000
-   831 CD2     26.1664   3.9379  13.8242   C.ar     104 TYR103  16.5000
-   832 CE1     23.4634   4.3659  14.2852   C.ar     104 TYR103  17.9000
-   833 CE2     25.5654   3.4059  14.9582   C.ar     104 TYR103  17.9000
-   834 CZ      24.2124   3.6289  15.1822   C.ar     104 TYR103  18.7000
-   835 OH      23.5943   3.0880  16.3142   O.3      104 TYR103  19.7000
-   836 N       26.2265   6.5079   8.5871   N.am     105 LEU104  13.1000
-   837 CA      27.0175   7.2249   7.5961   C.3      105 LEU104  11.0000
-   838 C       26.2846   8.4909   7.2631   C.2      105 LEU104  11.7000
-   839 O       26.9096   9.5139   6.9641   O.2      105 LEU104  11.5000
-   840 CB      27.2345   6.3749   6.3441   C.3      105 LEU104  13.0000
-   841 CG      27.9765   5.0329   6.5771   C.3      105 LEU104  13.4000
-   842 CD1     28.1054   4.2779   5.2571   C.3      105 LEU104  15.6000
-   843 CD2     29.3525   5.2719   7.1411   C.3      105 LEU104  14.0000
-   844 N       24.9436   8.5199   7.3631   N.am     106 GLU105  11.5000
-   845 CA      24.2656   9.7949   7.1241   C.3      106 GLU105  12.6000
-   846 C       24.6117  10.7148   8.2941   C.2      106 GLU105  12.4000
-   847 O       24.7227  11.9118   8.1151   O.2      106 GLU105  11.7000
-   848 CB      22.7606   9.6379   7.1011   C.3      106 GLU105  14.7000
-   849 CG      22.3746   9.0029   5.7731   C.3      106 GLU105  20.5000
-   850 CD      20.9476   8.4499   5.6451   C.ar     106 GLU105  23.8000
-   851 OE1     20.2526   8.5149   6.6531   O.co2    106 GLU105  26.1000
-   852 OE2     20.7755   7.5019   4.8411   O.co2    106 GLU105  25.5000
-   853 N       24.6407  10.1798   9.5591   N.am     107 PHE106  11.7000
-   854 CA      24.9557  11.0118  10.7011   C.3      107 PHE106  11.3000
-   855 C       26.3437  11.6478  10.5931   C.2      107 PHE106  11.4000
-   856 O       26.4988  12.8548  10.9011   O.2      107 PHE106  11.8000
-   857 CB      24.9287  10.2188  12.0071   C.3      107 PHE106  11.4000
-   858 CG      23.5616   9.6859  12.4031   C.ar     107 PHE106  13.0000
-   859 CD1     22.3956  10.2428  11.9131   C.ar     107 PHE106  14.8000
-   860 CD2     23.4936   8.6229  13.2852   C.ar     107 PHE106  13.2000
-   861 CE1     21.1496   9.7439  12.3171   C.ar     107 PHE106  15.4000
-   862 CE2     22.2595   8.1379  13.6822   C.ar     107 PHE106  14.8000
-   863 CZ      21.1046   8.7009  13.2062   C.ar     107 PHE106  14.7000
-   864 N       27.3807  10.9298  10.1131   N.am     108 ILE107  10.1000
-   865 CA      28.6718  11.5988  10.0591   C.3      108 ILE107  10.3000
-   866 C       28.7018  12.6038   8.8901   C.2      108 ILE107  10.5000
-   867 O       29.3959  13.6138   8.9121   O.2      108 ILE107   9.7000
-   868 CB      29.8407  10.5538  10.0171   C.3      108 ILE107  10.7000
-   869 CG1     31.1848  11.1988  10.3641   C.3      108 ILE107  11.6000
-   870 CG2     29.9427   9.8749   8.6461   C.3      108 ILE107   9.4000
-   871 CD1     32.3597  10.2018  10.5161   C.3      108 ILE107  12.3000
-   872 N       27.8978  12.3598   7.8501   N.am     109 SER108   9.8000
-   873 CA      27.8578  13.2458   6.7151   C.3      109 SER108  10.7000
-   874 C       27.3709  14.6008   7.2171   C.2      109 SER108  11.2000
-   875 O       27.8249  15.6148   6.7361   O.2      109 SER108  11.7000
-   876 CB      26.8588  12.6838   5.6901   C.3      109 SER108  10.5000
-   877 OG      27.4337  11.5718   4.9681   O.3      109 SER108  11.9000
-   878 N       26.3039  14.5868   8.0681   N.am     110 GLU109  11.1000
-   879 CA      25.7059  15.7638   8.6501   C.3      110 GLU109  11.6000
-   880 C       26.7660  16.4418   9.4771   C.2      110 GLU109   9.9000
-   881 O       26.8840  17.6517   9.4871   O.2      110 GLU109  10.0000
-   882 CB      24.5719  15.2598   9.5361   C.3      110 GLU109  15.6000
-   883 CG      23.6729  16.3348  10.1261   C.3      110 GLU109  24.9000
-   884 CD      22.6009  15.7828  11.1321   C.ar     110 GLU109  30.1000
-   885 OE1     22.0348  14.6868  10.8591   O.co2    110 GLU109  34.2000
-   886 OE2     22.7129  16.1258  12.3291   O.co2    110 GLU109  34.2000
-   887 N       27.5239  15.6948  10.2711   N.am     111 ALA110   8.6000
-   888 CA      28.5610  16.3228  11.0901   C.3      111 ALA110   9.0000
-   889 C       29.6610  16.9817  10.2361   C.2      111 ALA110   8.8000
-   890 O       30.1801  18.0817  10.5721   O.2      111 ALA110   8.4000
-   891 CB      29.2809  15.2618  11.9711   C.3      111 ALA110   7.4000
-   892 N       29.9620  16.3778   9.0601   N.am     112 ILE111   8.6000
-   893 CA      31.0000  16.9617   8.2091   C.3      112 ILE111   9.0000
-   894 C       30.5011  18.2787   7.6261   C.2      112 ILE111   9.2000
-   895 O       31.1251  19.3367   7.6831   O.2      112 ILE111   9.9000
-   896 CB      31.3610  15.9528   7.0901   C.3      112 ILE111   8.9000
-   897 CG1     32.2019  14.7968   7.6101   C.3      112 ILE111  10.4000
-   898 CG2     32.1330  16.6917   5.9821   C.3      112 ILE111  10.8000
-   899 CD1     32.0459  13.4788   6.8391   C.3      112 ILE111  10.5000
-   900 N       29.2421  18.2957   7.2251   N.am     113 ILE112   9.8000
-   901 CA      28.6591  19.4707   6.6491   C.3      113 ILE112  10.0000
-   902 C       28.4872  20.5637   7.7241   C.2      113 ILE112  11.0000
-   903 O       28.8582  21.7337   7.5031   O.2      113 ILE112  10.9000
-   904 CB      27.3241  19.0467   6.0131   C.3      113 ILE112  10.3000
-   905 CG1     27.5331  18.3917   4.6301   C.3      113 ILE112  10.1000
-   906 CG2     26.4141  20.2737   5.8471   C.3      113 ILE112  11.7000
-   907 CD1     26.2030  17.7887   4.1610   C.3      113 ILE112  13.4000
-   908 N       28.1481  20.1857   8.9551   N.am     114 HIS113  10.4000
-   909 CA      28.0222  21.2017   9.9871   C.3      114 HIS113  11.1000
-   910 C       29.3552  21.8967  10.2511   C.2      114 HIS113  10.9000
-   911 O       29.4713  23.1237  10.3981   O.2      114 HIS113  11.2000
-   912 CB      27.5092  20.5597  11.2861   C.3      114 HIS113  14.3000
-   913 CG      27.5122  21.4087  12.5961   C.2      114 HIS113  18.0000
-   914 ND1     26.3352  22.0547  13.0022   N.2      114 HIS113  20.0000
-   915 CD2     28.6362  21.7147  13.4182   C.2      114 HIS113  19.8000
-   916 CE1     26.7433  22.8307  13.9772   C.2      114 HIS113  19.1000
-   917 NE2     28.0093  22.6277  14.2872   N.2      114 HIS113  21.4000
-   918 N       30.4052  21.0877  10.4121   N.am     115 VAL114   9.9000
-   919 CA      31.7432  21.6197  10.7031   C.3      115 VAL114  10.6000
-   920 C       32.2973  22.4707   9.5381   C.2      115 VAL114  10.9000
-   921 O       32.8123  23.5806   9.8071   O.2      115 VAL114  11.7000
-   922 CB      32.7152  20.4517  11.0551   C.3      115 VAL114   9.9000
-   923 CG1     34.1592  20.9517  11.0811   C.3      115 VAL114  10.6000
-   924 CG2     32.3072  19.8307  12.4081   C.3      115 VAL114   9.1000
-   925 N       32.1083  22.0337   8.2371   N.am     116 LEU115  10.0000
-   926 CA      32.5993  22.8967   7.1461   C.3      116 LEU115   9.4000
-   927 C       31.8504  24.1906   7.1481   C.2      116 LEU115   9.3000
-   928 O       32.3884  25.2386   6.8461   O.2      116 LEU115   8.8000
-   929 CB      32.4013  22.2827   5.7701   C.3      116 LEU115  10.6000
-   930 CG      33.1182  20.9437   5.6701   C.3      116 LEU115  12.4000
-   931 CD1     33.0482  20.3887   4.2561   C.3      116 LEU115  15.0000
-   932 CD2     34.5502  21.0767   6.0911   C.3      116 LEU115  13.6000
-   933 N       30.5443  24.1316   7.4061   N.am     117 HIS116   9.7000
-   934 CA      29.7984  25.3486   7.3971   C.3      117 HIS116  10.9000
-   935 C       30.2774  26.3116   8.4741   C.2      117 HIS116  12.0000
-   936 O       30.3065  27.5236   8.2411   O.2      117 HIS116  10.8000
-   937 CB      28.3234  25.0366   7.5511   C.3      117 HIS116  12.0000
-   938 CG      27.1534  26.1296   7.6241   C.2      117 HIS116  14.6000
-   939 ND1     26.7114  26.9756   6.5821   N.2      117 HIS116  16.6000
-   940 CD2     26.6934  26.6256   8.9431   C.2      117 HIS116  14.6000
-   941 CE1     25.9485  27.9226   7.2791   C.2      117 HIS116  15.4000
-   942 NE2     25.9775  27.7416   8.5681   N.2      117 HIS116  17.0000
-   943 N       30.5884  25.7866   9.6821   N.am     118 SER117  12.5000
-   944 CA      31.0385  26.6436  10.7741   C.3      118 SER117  13.3000
-   945 C       32.4375  27.2106  10.5571   C.2      118 SER117  12.5000
-   946 O       32.7066  28.3886  10.8551   O.2      118 SER117  12.8000
-   947 CB      31.2134  25.8486  12.0661   C.3      118 SER117  15.3000
-   948 OG      29.9684  25.3406  12.3971   O.3      118 SER117  22.8000
-   949 N       33.3265  26.3816   9.9971   N.am     119 ARG118  10.3000
-   950 CA      34.6985  26.8386   9.8811   C.3      119 ARG118  10.8000
-   951 C       35.0045  27.5886   8.5721   C.2      119 ARG118  10.8000
-   952 O       35.9966  28.3066   8.5291   O.2      119 ARG118  10.3000
-   953 CB      35.5915  25.5956   9.9171   C.3      119 ARG118  12.2000
-   954 CG      35.8754  25.0046  11.3001   C.3      119 ARG118  15.6000
-   955 CD      37.3994  24.8986  11.2491   C.3      119 ARG118  18.8000
-   956 NE      37.7684  23.7516  11.8871   N.2      119 ARG118  20.0000
-   957 CZ      38.9494  23.7046  12.4671   C.ar     119 ARG118  20.0000
-   958 NH1     40.0054  24.2566  11.8511   N.pl3    119 ARG118  19.6000
-   959 NH2     39.1093  22.5747  13.1082   N.pl3    119 ARG118  20.6000
-   960 N       34.2925  27.2406   7.4821   N.am     120 HIS119  10.3000
-   961 CA      34.5815  27.7856   6.1551   C.3      120 HIS119  10.2000
-   962 C       33.4126  28.4346   5.4321   C.2      120 HIS119  11.1000
-   963 O       33.1896  28.2006   4.2371   O.2      120 HIS119  11.0000
-   964 CB      35.1005  26.6406   5.2711   C.3      120 HIS119   9.6000
-   965 CG      36.2715  25.8676   5.9081   C.2      120 HIS119  10.3000
-   966 ND1     37.4945  26.5276   5.9591   N.2      120 HIS119  10.5000
-   967 CD2     36.3654  24.6226   6.5171   C.2      120 HIS119   9.8000
-   968 CE1     38.3035  25.5886   6.6371   C.2      120 HIS119  11.2000
-   969 NE2     37.7154  24.5386   6.9441   N.2      120 HIS119   8.7000
-   970 N       32.6966  29.3186   6.0981   N.am     121 PRO120  12.6000
-   971 CA      31.5336  29.9735   5.5281   C.3      121 PRO120  12.7000
-   972 C       31.7927  30.6195   4.1610   C.2      121 PRO120  12.9000
-   973 O       30.9516  30.6435   3.3030   O.2      121 PRO120  13.6000
-   974 CB      31.1787  31.0365   6.5601   C.3      121 PRO120  14.0000
-   975 CG      32.3777  31.2165   7.4661   C.3      121 PRO120  12.9000
-   976 CD      33.1826  29.9366   7.3521   C.3      121 PRO120  12.7000
-   977 N       32.9467  31.1805   3.9170   N.am     122 GLY121  12.2000
-   978 CA      33.1497  31.8405   2.6470   C.3      122 GLY121  13.5000
-   979 C       33.3207  30.8075   1.5360   C.2      122 GLY121  13.6000
-   980 O       33.2867  31.1635   0.3660   O.2      122 GLY121  16.1000
-   981 N       33.7826  29.6046   1.8580   N.am     123 ASN122  12.3000
-   982 CA      34.0076  28.6386   0.8120   C.3      123 ASN122  11.6000
-   983 C       32.9625  27.5826   0.9480   C.2      123 ASN122  12.4000
-   984 O       33.0215  26.4986   0.3090   O.2      123 ASN122  12.9000
-   985 CB      35.4046  28.0566   0.9860   C.3      123 ASN122  12.3000
-   986 CG      36.5136  29.0856   0.5630   C.2      123 ASN122  15.4000
-   987 OD1     36.3766  29.6946  -0.5160   O.2      123 ASN122  15.1000
-   988 ND2     37.4786  29.3516   1.3360   N.am     123 ASN122  13.5000
-   989 N       31.8405  27.9206   1.6420   N.am     124 PHE123  11.3000
-   990 CA      30.8705  26.8636   1.7900   C.3      124 PHE123  10.6000
-   991 C       29.4595  27.3796   1.7400   C.2      124 PHE123  11.2000
-   992 O       28.7455  27.3116   2.7520   O.2      124 PHE123  10.2000
-   993 CB      31.1134  26.0986   3.1030   C.3      124 PHE123  10.2000
-   994 CG      30.5394  24.7056   3.1160   C.ar     124 PHE123  10.3000
-   995 CD1     31.0763  23.7556   2.2660   C.ar     124 PHE123  11.8000
-   996 CD2     29.5123  24.3806   4.0060   C.ar     124 PHE123  11.9000
-   997 CE1     30.5623  22.4827   2.3110   C.ar     124 PHE123  11.6000
-   998 CE2     29.0133  23.0807   4.0550   C.ar     124 PHE123  12.3000
-   999 CZ      29.5452  22.1437   3.1870   C.ar     124 PHE123  12.4000
-  1000 N       29.2195  28.2106   0.7270   N.am     125 GLY124  10.6000
-  1001 CA      27.8975  28.7386   0.5330   C.3      125 GLY124  10.5000
-  1002 C       26.9245  27.6486   0.0870   C.2      125 GLY124  10.8000
-  1003 O       27.2544  26.4626  -0.0090   O.2      125 GLY124  10.2000
-  1004 N       25.7585  28.0596  -0.3820   N.am     126 ALA125  11.1000
-  1005 CA      24.7364  27.1056  -0.7280   C.3      126 ALA125  11.8000
-  1006 C       25.1704  26.2106  -1.8500   C.2      126 ALA125  11.6000
-  1007 O       24.8993  25.0146  -1.7800   O.2      126 ALA125  11.9000
-  1008 CB      23.4545  27.8226  -1.1510   C.3      126 ALA125  11.7000
-  1009 N       25.7344  26.7496  -2.9190   N.am     127 ASP126  11.7000
-  1010 CA      26.1364  25.8736  -4.0000   C.3      127 ASP126  12.5000
-  1011 C       27.2154  24.8956  -3.5700   C.2      127 ASP126  11.8000
-  1012 O       27.1803  23.7576  -3.9980   O.2      127 ASP126  11.6000
-  1013 CB      26.6024  26.6666  -5.2091   C.3      127 ASP126  14.6000
-  1014 CG      25.4505  27.4306  -5.9061   C.ar     127 ASP126  18.2000
-  1015 OD1     24.2704  27.1846  -5.6321   O.co2    127 ASP126  19.1000
-  1016 OD2     25.7185  28.5346  -6.3271   O.co2    127 ASP126  22.2000
-  1017 N       28.2754  25.3336  -2.8540   N.am     128 ALA127  11.0000
-  1018 CA      29.3453  24.4316  -2.4200   C.3      128 ALA127  10.3000
-  1019 C       28.7683  23.3566  -1.4530   C.2      128 ALA127  10.5000
-  1020 O       29.0942  22.1727  -1.5180   O.2      128 ALA127  10.0000
-  1021 CB      30.4264  25.2486  -1.6600   C.3      128 ALA127   9.1000
-  1022 N       27.7853  23.7246  -0.5830   N.am     129 GLN128  10.1000
-  1023 CA      27.2083  22.7347   0.3390   C.3      129 GLN128   9.4000
-  1024 C       26.4042  21.7107  -0.4600   C.2      129 GLN128  10.1000
-  1025 O       26.4251  20.5307  -0.1620   O.2      129 GLN128   9.9000
-  1026 CB      26.2603  23.4046   1.3510   C.3      129 GLN128   9.4000
-  1027 CG      25.7282  22.3697   2.3450   C.3      129 GLN128   9.8000
-  1028 CD      24.8992  22.9507   3.5080   C.2      129 GLN128  12.7000
-  1029 OE1     25.1583  24.0766   3.9830   O.2      129 GLN128  14.1000
-  1030 NE2     23.9332  22.1867   4.0180   N.am     129 GLN128  13.0000
-  1031 N       25.6612  22.1597  -1.4750   N.am     130 GLY129  10.2000
-  1032 CA      24.8862  21.2747  -2.3160   C.3      130 GLY129   9.7000
-  1033 C       25.8531  20.3177  -3.0610   C.2      130 GLY129  10.6000
-  1034 O       25.5831  19.0877  -3.1210   O.2      130 GLY129  10.8000
-  1035 N       27.0542  20.8047  -3.4690   N.am     131 ALA130   9.5000
-  1036 CA      27.9821  19.9067  -4.1500   C.3      131 ALA130  10.0000
-  1037 C       28.6141  18.8847  -3.1840   C.2      131 ALA130   9.9000
-  1038 O       28.7430  17.6957  -3.5160   O.2      131 ALA130   8.9000
-  1039 CB      29.1442  20.6877  -4.7651   C.3      131 ALA130   9.8000
-  1040 N       28.9511  19.3207  -1.9530   N.am     132 MET131   9.6000
-  1041 CA      29.5171  18.3847  -0.9700   C.3      132 MET131   9.4000
-  1042 C       28.4510  17.3537  -0.5930   C.2      132 MET131   9.0000
-  1043 O       28.7150  16.1918  -0.3870   O.2      132 MET131   8.4000
-  1044 CB      29.9391  19.2027   0.2990   C.3      132 MET131  10.5000
-  1045 CG      30.5441  18.3597   1.4380   C.3      132 MET131  12.1000
-  1046 SD      32.0471  17.4717   0.9140   S.3      132 MET131  15.6000
-  1047 CE      33.2061  18.7757   1.0290   C.3      132 MET131  13.8000
-  1048 N       27.1930  17.7897  -0.4280   N.am     133 ASN132   9.6000
-  1049 CA      26.1500  16.8627  -0.1190   C.3      133 ASN132  10.5000
-  1050 C       25.9909  15.8318  -1.2240   C.2      133 ASN132  10.8000
-  1051 O       25.6629  14.6718  -0.9440   O.2      133 ASN132  11.6000
-  1052 CB      24.8390  17.5577   0.0620   C.3      133 ASN132  11.2000
-  1053 CG      23.7239  16.5438   0.3110   C.2      133 ASN132  12.6000
-  1054 OD1     23.7139  15.8078   1.2870   O.2      133 ASN132  14.8000
-  1055 ND2     22.7149  16.4858  -0.5530   N.am     133 ASN132  14.7000
-  1056 N       26.0659  16.2518  -2.4770   N.am     134 LYS133   9.9000
-  1057 CA      25.9349  15.3268  -3.6030   C.3      134 LYS133  10.9000
-  1058 C       27.1079  14.3608  -3.5790   C.2      134 LYS133   9.3000
-  1059 O       26.9628  13.1508  -3.8100   O.2      134 LYS133   9.7000
-  1060 CB      26.0289  16.1648  -4.8761   C.3      134 LYS133  12.8000
-  1061 CG      24.9629  15.9058  -5.8861   C.3      134 LYS133  18.7000
-  1062 CD      25.0920  16.7777  -7.1241   C.3      134 LYS133  21.8000
-  1063 CE      24.9499  15.8578  -8.3291   C.3      134 LYS133  25.6000
-  1064 NZ      24.7260  16.5988  -9.5781   N.3      134 LYS133  27.6000
-  1065 N       28.2999  14.8548  -3.2020   N.am     135 ALA134   8.8000
-  1066 CA      29.4499  13.9558  -3.2110   C.3      135 ALA134   8.9000
-  1067 C       29.3318  12.8898  -2.0980   C.2      135 ALA134   9.8000
-  1068 O       29.6338  11.6828  -2.2860   O.2      135 ALA134   9.0000
-  1069 CB      30.7349  14.7458  -2.9850   C.3      135 ALA134   8.0000
-  1070 N       28.7688  13.2828  -0.9340   N.am     136 LEU135   9.4000
-  1071 CA      28.6448  12.3208   0.1760   C.3      136 LEU135  10.0000
-  1072 C       27.4567  11.3878  -0.0880   C.2      136 LEU135  10.6000
-  1073 O       27.4667  10.2228   0.3390   O.2      136 LEU135  11.3000
-  1074 CB      28.4388  13.0978   1.4570   C.3      136 LEU135  10.5000
-  1075 CG      29.5999  14.0038   1.9060   C.3      136 LEU135  11.9000
-  1076 CD1     29.2229  14.7398   3.2240   C.3      136 LEU135  12.6000
-  1077 CD2     30.8188  13.1388   2.1300   C.3      136 LEU135  12.3000
-  1078 N       26.4178  11.8598  -0.8170   N.am     137 GLU136  10.2000
-  1079 CA      25.3147  10.9788  -1.1540   C.3      137 GLU136  11.3000
-  1080 C       25.8447   9.9239  -2.1570   C.2      137 GLU136  10.9000
-  1081 O       25.4766   8.7629  -2.0780   O.2      137 GLU136  11.1000
-  1082 CB      24.1907  11.7258  -1.8240   C.3      137 GLU136  12.7000
-  1083 CG      23.5008  12.6108  -0.8310   C.3      137 GLU136  20.5000
-  1084 CD      22.1298  13.0578  -1.3440   C.ar     137 GLU136  25.3000
-  1085 OE1     21.9688  13.1278  -2.5950   O.co2    137 GLU136  28.2000
-  1086 OE2     21.4198  13.6998  -0.5450   O.co2    137 GLU136  28.0000
-  1087 N       26.7237  10.3208  -3.0880   N.am     138 LEU137   9.9000
-  1088 CA      27.2846   9.3779  -4.0240   C.3      138 LEU137  10.8000
-  1089 C       28.1016   8.3339  -3.2690   C.2      138 LEU137  11.0000
-  1090 O       27.9805   7.1129  -3.5410   O.2      138 LEU137  10.8000
-  1091 CB      28.1967  10.0968  -5.0281   C.3      138 LEU137  12.5000
-  1092 CG      28.9637   9.2059  -6.0241   C.3      138 LEU137  13.8000
-  1093 CD1     27.9616   8.4189  -6.8801   C.3      138 LEU137  15.8000
-  1094 CD2     29.8847  10.0468  -6.9271   C.3      138 LEU137  13.4000
-  1095 N       28.9346   8.7929  -2.3060   N.am     139 PHE138  10.6000
-  1096 CA      29.7326   7.8619  -1.4850   C.3      139 PHE138  11.1000
-  1097 C       28.8225   6.8799  -0.7040   C.2      139 PHE138  11.2000
-  1098 O       29.0165   5.6539  -0.7650   O.2      139 PHE138  10.3000
-  1099 CB      30.5886   8.7119  -0.5260   C.3      139 PHE138  12.8000
-  1100 CG      31.2086   7.9159   0.6290   C.ar     139 PHE138  15.3000
-  1101 CD1     32.2446   7.0339   0.3720   C.ar     139 PHE138  15.6000
-  1102 CD2     30.6876   8.0589   1.9080   C.ar     139 PHE138  17.1000
-  1103 CE1     32.7285   6.2889   1.4150   C.ar     139 PHE138  17.6000
-  1104 CE2     31.1996   7.2969   2.9590   C.ar     139 PHE138  19.1000
-  1105 CZ      32.2205   6.4059   2.6980   C.ar     139 PHE138  18.3000
-  1106 N       27.7306   7.3779  -0.0620   N.am     140 ARG139  10.8000
-  1107 CA      26.7895   6.5149   0.6740   C.3      140 ARG139  12.1000
-  1108 C       26.0485   5.5269  -0.2620   C.2      140 ARG139  13.1000
-  1109 O       25.7754   4.3939   0.0920   O.2      140 ARG139  13.2000
-  1110 CB      25.7415   7.3859   1.3260   C.3      140 ARG139  11.3000
-  1111 CG      26.2336   7.8879   2.6620   C.3      140 ARG139  12.6000
-  1112 CD      25.0266   8.4109   3.3860   C.3      140 ARG139  14.9000
-  1113 NE      25.1916   9.8119   3.4330   N.2      140 ARG139  20.4000
-  1114 CZ      24.6227  10.7938   2.7560   C.ar     140 ARG139  16.9000
-  1115 NH1     23.3337  10.9578   2.4710   N.pl3    140 ARG139  15.4000
-  1116 NH2     25.2277  11.8738   3.1380   N.pl3    140 ARG139  17.9000
-  1117 N       25.6425   5.9689  -1.4540   N.am     141 LYS140  13.8000
-  1118 CA      24.9234   5.0959  -2.3880   C.3      141 LYS140  14.7000
-  1119 C       25.8724   3.9979  -2.9090   C.2      141 LYS140  14.2000
-  1120 O       25.5283   2.8070  -2.8330   O.2      141 LYS140  13.1000
-  1121 CB      24.4035   5.9609  -3.5390   C.3      141 LYS140  16.8000
-  1122 CG      24.1744   5.1969  -4.8231   C.3      141 LYS140  22.7000
-  1123 CD      23.5035   6.1559  -5.8011   C.3      141 LYS140  27.9000
-  1124 CE      24.5065   6.8089  -6.7811   C.3      141 LYS140  31.7000
-  1125 NZ      25.7125   5.9989  -6.9201   N.3      141 LYS140  34.6000
-  1126 N       27.1534   4.3639  -3.1640   N.am     142 ASP141  13.5000
-  1127 CA      28.0854   3.3449  -3.6080   C.3      142 ASP141  14.5000
-  1128 C       28.4513   2.3690  -2.4660   C.2      142 ASP141  13.9000
-  1129 O       28.6493   1.1500  -2.6730   O.2      142 ASP141  13.3000
-  1130 CB      29.3344   3.9509  -4.2311   C.3      142 ASP141  14.2000
-  1131 CG      29.1234   4.3099  -5.6981   C.ar     142 ASP141  15.9000
-  1132 OD1     27.9834   4.2749  -6.1371   O.co2    142 ASP141  15.9000
-  1133 OD2     29.9725   5.0289  -6.2371   O.co2    142 ASP141  17.2000
-  1134 N       28.6184   2.8870  -1.2540   N.am     143 ILE142  13.4000
-  1135 CA      28.9353   1.9750  -0.1430   C.3      143 ILE142  15.3000
-  1136 C       27.7153   1.0720   0.1000   C.2      143 ILE142  15.0000
-  1137 O       27.8592  -0.0900   0.4940   O.2      143 ILE142  15.9000
-  1138 CB      29.2074   2.7860   1.1760   C.3      143 ILE142  16.2000
-  1139 CG1     30.5684   3.4159   1.1510   C.3      143 ILE142  18.2000
-  1140 CG2     29.0543   1.8940   2.4220   C.3      143 ILE142  18.1000
-  1141 CD1     31.6084   2.4140   1.6910   C.3      143 ILE142  21.4000
-  1142 N       26.4763   1.6570   0.0590   N.am     144 ALA143  14.6000
-  1143 CA      25.2812   0.8250   0.3100   C.3      144 ALA143  14.0000
-  1144 C       25.1992  -0.3170  -0.7230   C.2      144 ALA143  13.4000
-  1145 O       24.8981  -1.4630  -0.3810   O.2      144 ALA143  13.8000
-  1146 CB      24.0053   1.6880   0.2090   C.3      144 ALA143  12.7000
-  1147 N       25.5812  -0.0430  -1.9690   N.am     145 ALA144  13.0000
-  1148 CA      25.5352  -1.0750  -3.0020   C.3      145 ALA144  13.7000
-  1149 C       26.5831  -2.1170  -2.6800   C.2      145 ALA144  14.0000
-  1150 O       26.2551  -3.3090  -2.7550   O.2      145 ALA144  14.3000
-  1151 CB      25.8772  -0.5010  -4.3881   C.3      145 ALA144  13.9000
-  1152 N       27.7521  -1.7210  -2.0990   N.am     146 LYS145  13.3000
-  1153 CA      28.7371  -2.7420  -1.7940   C.3      146 LYS145  14.2000
-  1154 C       28.3061  -3.5549  -0.5830   C.2      146 LYS145  13.3000
-  1155 O       28.5350  -4.7599  -0.5320   O.2      146 LYS145  12.6000
-  1156 CB      30.0911  -2.1220  -1.5180   C.3      146 LYS145  17.2000
-  1157 CG      30.8722  -1.9000  -2.7990   C.3      146 LYS145  22.8000
-  1158 CD      29.9272  -1.5330  -3.9710   C.3      146 LYS145  26.5000
-  1159 CE      30.1202  -0.0680  -4.4421   C.3      146 LYS145  26.2000
-  1160 NZ      29.1702   0.3340  -5.4381   N.3      146 LYS145  24.6000
-  1161 N       27.6771  -2.8960   0.4070   N.am     147 TYR146  12.3000
-  1162 CA      27.1961  -3.6159   1.5680   C.3      147 TYR146  13.8000
-  1163 C       26.3180  -4.7709   1.0980   C.2      147 TYR146  14.6000
-  1164 O       26.4079  -5.8899   1.5990   O.2      147 TYR146  14.2000
-  1165 CB      26.3251  -2.7220   2.4810   C.3      147 TYR146  14.2000
-  1166 CG      27.0531  -1.8010   3.4830   C.ar     147 TYR146  14.4000
-  1167 CD1     28.4431  -1.7010   3.5600   C.ar     147 TYR146  13.4000
-  1168 CD2     26.2792  -1.1850   4.4701   C.ar     147 TYR146  15.7000
-  1169 CE1     29.0452  -1.0200   4.6411   C.ar     147 TYR146  14.4000
-  1170 CE2     26.8842  -0.5100   5.5531   C.ar     147 TYR146  16.3000
-  1171 CZ      28.2662  -0.4380   5.6241   C.ar     147 TYR146  15.3000
-  1172 OH      28.8332   0.2180   6.7041   O.3      147 TYR146  16.7000
-  1173 N       25.4170  -4.4869   0.1890   N.am     148 LYS147  15.5000
-  1174 CA      24.5159  -5.4789  -0.3180   C.3      148 LYS147  17.7000
-  1175 C       25.2349  -6.6149  -0.9850   C.2      148 LYS147  16.9000
-  1176 O       24.9698  -7.7549  -0.6170   O.2      148 LYS147  16.3000
-  1177 CB      23.5510  -4.9109  -1.3150   C.3      148 LYS147  20.7000
-  1178 CG      22.3569  -5.8239  -1.4780   C.3      148 LYS147  27.1000
-  1179 CD      21.5549  -5.4279  -2.7350   C.3      148 LYS147  32.2000
-  1180 CE      20.2699  -6.2649  -2.9080   C.3      148 LYS147  35.4000
-  1181 NZ      20.1558  -7.3229  -1.8900   N.3      148 LYS147  37.7000
-  1182 N       26.2839  -6.3359  -1.7600   N.am     149 GLU148  16.2000
-  1183 CA      27.0489  -7.4329  -2.3740   C.3      149 GLU148  16.9000
-  1184 C       27.7728  -8.2709  -1.2990   C.2      149 GLU148  16.5000
-  1185 O       27.9348  -9.4739  -1.4410   O.2      149 GLU148  14.9000
-  1186 CB      28.1379  -6.9019  -3.2920   C.3      149 GLU148  17.6000
-  1187 CG      27.5759  -6.1019  -4.4321   C.3      149 GLU148  23.2000
-  1188 CD      28.6520  -5.5009  -5.3211   C.ar     149 GLU148  26.2000
-  1189 OE1     29.7500  -6.0659  -5.3711   O.co2    149 GLU148  27.7000
-  1190 OE2     28.2690  -4.7729  -6.2441   O.co2    149 GLU148  29.3000
-  1191 N       28.1889  -7.6289  -0.1910   N.am     150 LEU149  15.1000
-  1192 CA      28.9079  -8.3279   0.8550   C.3      150 LEU149  15.4000
-  1193 C       27.9628  -9.1049   1.8060   C.2      150 LEU149  16.3000
-  1194 O       28.4258  -9.7699   2.7570   O.2      150 LEU149  16.3000
-  1195 CB      29.7809  -7.3399   1.6410   C.3      150 LEU149  15.6000
-  1196 CG      30.9219  -6.6029   0.9020   C.3      150 LEU149  16.3000
-  1197 CD1     31.4260  -5.4659   1.7440   C.3      150 LEU149  16.6000
-  1198 CD2     32.1349  -7.4669   0.6800   C.3      150 LEU149  17.6000
-  1199 N       26.6478  -8.8149   1.7310   N.am     151 GLY150  16.2000
-  1200 CA      25.7128  -9.5519   2.5280   C.2      151 GLY150  18.1000
-  1201 C       25.1778  -8.8189   3.7200   C.2      151 GLY150  20.5000
-  1202 O       24.8008  -9.5179   4.6551   O.2      151 GLY150  21.0000
-  1203 N       25.5469  -7.5399   3.9120   N.am     152 TYR151  22.5000
-  1204 CA      25.0479  -6.7609   5.0431   C.3      152 TYR151  25.6000
-  1205 C       23.9419  -5.7369   4.7271   C.2      152 TYR151  28.9000
-  1206 O       22.8599  -5.6879   5.3251   O.2      152 TYR151  29.0000
-  1207 CB      26.2439  -6.0319   5.6741   C.3      152 TYR151  25.3000
-  1208 CG      25.9190  -5.0649   6.8291   C.ar     152 TYR151  25.4000
-  1209 CD1     25.5110  -5.5189   8.0561   C.ar     152 TYR151  25.1000
-  1210 CD2     26.1490  -3.7299   6.6841   C.ar     152 TYR151  27.3000
-  1211 CE1     25.3320  -4.6629   9.1201   C.ar     152 TYR151  25.3000
-  1212 CE2     25.9921  -2.8460   7.7501   C.ar     152 TYR151  26.7000
-  1213 CZ      25.5711  -3.3280   8.9601   C.ar     152 TYR151  26.5000
-  1214 OH      25.3991  -2.4430  10.0271   O.3      152 TYR151  27.4000
-  1215 N       24.0250  -5.0339   3.6390   N.am     153 GLN152  33.0000
-  1216 CA      23.0210  -3.9769   3.4220   C.3      153 GLN152  38.6000
-  1217 C       22.3970  -3.4209   4.7251   C.2      153 GLN152  40.1000
-  1218 O       21.1870  -3.2170   4.8171   O.2      153 GLN152  40.7000
-  1219 CB      21.8790  -4.3679   2.4840   C.3      153 GLN152  40.3000
-  1220 CG      21.0470  -3.1280   2.1300   C.3      153 GLN152  42.8000
-  1221 CD      21.9031  -1.8460   2.1040   C.2      153 GLN152  44.7000
-  1222 OE1     23.0921  -1.8620   1.7770   O.2      153 GLN152  44.3000
-  1223 NE2     21.3131  -0.6970   2.4410   N.am     153 GLN152  46.0000
-  1224 N       23.2381  -2.9570   5.6661   N.am     154 GLY153  41.1000
-  1225 CA      22.7071  -2.4100   6.9051   C.3      154 GLY153  42.1000
-  1226 C       22.6381  -0.8930   6.8371   C.2      154 GLY153  42.4000
-  1227 O       21.7352  -0.3260   7.4011   O.co2    154 GLY153  42.0000
-  1228 OXT     23.2032  -0.3500   5.8981   O.co2    154 GLY153  45.0000
-  1229 S       30.5501  18.4377  28.6653   S.o2     155 SO4156  41.0000
-  1230 O1      29.7021  19.3957  28.0243   O.2      155 SO4156  41.3000
-  1231 O2      30.8030  17.4297  27.6933   O.2      155 SO4156  39.3000
-  1232 O3      29.8971  17.8817  29.7694   O.2      155 SO4156  40.1000
-  1233 O4      31.7091  19.0817  29.1523   O.2      155 SO4156  38.7000
-  1234 FE      34.9745   4.2499  10.2781   Fe       156 HEM154  11.9000
-  1235 CHA     37.6414   2.5090  11.4331   C.2      156 HEM154  11.7000
-  1236 CHB     36.8955   5.3459   7.6551   C.2      156 HEM154   9.9000
-  1237 CHC     32.3155   6.1359   9.0231   C.2      156 HEM154  11.4000
-  1238 CHD     33.0744   3.1550  12.8192   C.2      156 HEM154  11.3000
-  1239 NA      36.8515   4.0519   9.7031   N.2      156 HEM154  10.6000
-  1240 C1A     37.8585   3.3080  10.2351   C.2      156 HEM154  11.7000
-  1241 C2A     39.1595   3.3050   9.5421   C.3      156 HEM154  12.1000
-  1242 C3A     38.8605   4.1259   8.4161   C.2      156 HEM154  11.3000
-  1243 C4A     37.4685   4.5609   8.5711   C.2      156 HEM154   9.9000
-  1244 CMA     39.7725   4.5669   7.2591   C.3      156 HEM154  10.7000
-  1245 CAA     40.5404   2.4410   9.8191   C.3      156 HEM154  13.5000
-  1246 CBA     40.6004   1.1360   9.0191   C.3      156 HEM154  15.9000
-  1247 CGA     39.2843   0.3250   9.0481   C.2      156 HEM154  18.7000
-  1248 O1A     38.8903  -0.2090  10.1101   O.co2    156 HEM154  20.0000
-  1249 O2A     38.6473   0.2240   8.0001   O.co2    156 HEM154  20.3000
-  1250 NB      34.6705   5.5389   8.6211   N.2      156 HEM154  11.5000
-  1251 C1B     35.5636   5.8329   7.6511   C.2      156 HEM154  10.7000
-  1252 C2B     35.0156   6.7539   6.6081   C.3      156 HEM154  11.5000
-  1253 C3B     33.7606   6.9459   7.1281   C.2      156 HEM154  11.5000
-  1254 C4B     33.5245   6.1169   8.2791   C.2      156 HEM154  11.2000
-  1255 CMB     35.7046   7.3919   5.2721   C.3      156 HEM154   9.7000
-  1256 CAB     32.8246   7.8979   6.5851   C.2      156 HEM154  13.2000
-  1257 CBB     33.3177   9.2119   6.1521   C.3      156 HEM154  16.7000
-  1258 NC      33.1815   4.5449  10.7661   N.2      156 HEM154  10.7000
-  1259 C1C     32.2275   5.4299  10.2651   C.2      156 HEM154  12.2000
-  1260 C2C     31.0495   5.4889  11.1091   C.2      156 HEM154  12.7000
-  1261 C3C     31.2325   4.6309  12.1851   C.2      156 HEM154  12.9000
-  1262 C4C     32.5504   4.0229  11.8921   C.2      156 HEM154  11.9000
-  1263 CMC     29.9865   6.5779  10.9441   C.3      156 HEM154  12.5000
-  1264 CAC     30.5364   4.4379  13.4642   C.2      156 HEM154  14.2000
-  1265 CBC     29.2985   5.1099  13.8052   C.3      156 HEM154  15.8000
-  1266 ND      35.3004   3.1310  11.7581   N.2      156 HEM154  11.0000
-  1267 C1D     34.4214   2.8090  12.7762   C.2      156 HEM154  12.2000
-  1268 C2D     34.9484   1.8700  13.7392   C.3      156 HEM154  12.2000
-  1269 C3D     36.2764   1.6990  13.3872   C.3      156 HEM154  11.7000
-  1270 C4D     36.4204   2.4930  12.1171   C.2      156 HEM154  10.9000
-  1271 CMD     34.1853   1.1760  14.9952   C.3      156 HEM154  12.3000
-  1272 CAD     37.5053   1.0710  14.1912   C.3      156 HEM154  14.0000
-  1273 CBD     38.1714   2.2110  14.9842   C.3      156 HEM154  19.0000
-  1274 CGD     39.3624   1.8800  15.8962   C.2      156 HEM154  23.6000
-  1275 O1D     39.1214   1.3340  16.9662   O.co2    156 HEM154  26.1000
-  1276 O2D     40.4914   1.8160  15.4092   O.co2    156 HEM154  25.5000
-  1277 C       35.3815   5.6369  11.3651   C.1      157 CMO155  12.5000
-  1278 O       35.1856   6.5269  12.0111   O.2      157 CMO155  13.6000
-  1279 O       37.6176  28.8286   4.3341   O.3      158 HOH200   9.9000
-  1280 O       34.6167  10.1568  -5.3241   O.3      159 HOH201   9.2000
-  1281 O       34.0384  25.5426  -2.1770   O.3      160 HOH202  12.4000
-  1282 O       41.4290  14.1598  14.3212   O.3      161 HOH203  14.3000
-  1283 O       37.0186  29.6336  10.8181   O.3      162 HOH204  14.7000
-  1284 O       39.4905  26.2936  10.0511   O.3      163 HOH205  14.8000
-  1285 O       34.5179  13.0848  33.3214   O.3      164 HOH206  16.5000
-  1286 O       31.8958  13.0408 -12.1601   O.3      165 HOH207  17.2000
-  1287 O       28.7685  28.2706  -2.7260   O.3      166 HOH208  17.4000
-  1288 O       46.8182  19.1107   7.8971   O.3      167 HOH209  17.7000
-  1289 O       30.4208  11.5668 -10.1571   O.3      168 HOH210  17.8000
-  1290 O       48.7345  23.5896   7.9141   O.3      169 HOH211  15.2000
-  1291 O       40.8660  14.3618  20.3192   O.3      170 HOH212  13.8000
-  1292 O       25.0189  14.2898   2.8500   O.3      171 HOH213  17.9000
-  1293 O       42.8818   9.7039  -4.2371   O.3      172 HOH214  15.7000
-  1294 O       43.5319  12.3408   1.6040   O.3      173 HOH215  20.6000
-  1295 O       46.9233  19.7697  12.0641   O.3      174 HOH216  18.8000
-  1296 O       29.8206   8.7989 -10.4571   O.3      175 HOH217  21.9000
-  1297 O       32.4732  19.8417  17.1302   O.3      176 HOH218  19.9000
-  1298 O       35.1170  15.6378 -13.8032   O.3      177 HOH219  21.1000
-  1299 O       35.6877  30.6785   4.5421   O.3      178 HOH220  23.9000
-  1300 O       34.6916  29.5876  12.3261   O.3      179 HOH221  23.4000
-  1301 O       44.8713  21.1567  15.0442   O.3      180 HOH222  17.0000
-  1302 O       21.9198  13.7308   1.6990   O.3      181 HOH223  17.1000
-  1303 O       23.0533   1.8650  -3.4720   O.3      182 HOH224  25.9000
-  1304 O       27.2614  25.0476  11.1351   O.3      183 HOH225  25.6000
-  1305 O       30.8082  21.5177  30.8074   O.3      184 HOH226  14.0000
-  1306 O       26.0002  22.8307  -6.3471   O.3      185 HOH227  27.1000
-  1307 O       26.2846  30.0495  -3.2100   O.3      186 HOH228  20.0000
-  1308 O       28.0536  30.0005   4.3061   O.3      187 HOH229  23.1000
-  1309 O       45.2629  12.6738  -0.5980   O.3      188 HOH230  26.7000
-  1310 O       35.4468  33.3025   5.0551   O.3      189 HOH231  18.5000
-  1311 O       20.6153   2.0510   8.0851   O.3      190 HOH232  18.8000
-  1312 O       37.0054   1.2390  18.5922   O.3      191 HOH233  16.5000
-  1313 O       40.6849  11.9058  27.4883   O.3      192 HOH234  17.3000
-  1314 O       40.3636   5.7619   0.8250   O.3      193 HOH235  13.7000
-  1315 O       39.2615   3.2200  -7.9671   O.3      194 HOH236  28.9000
-  1316 O       25.8709  14.4928  13.2402   O.3      195 HOH237  28.9000
-  1317 O       39.9695   3.0680   1.2380   O.3      196 HOH238  23.7000
-  1318 O       24.2306  30.0985   6.8361   O.3      197 HOH239  20.9000
-  1319 O       31.1756  28.9676  -1.5320   O.3      198 HOH240  24.0000
-  1320 O       22.1504  26.4666  -4.1910   O.3      199 HOH241  29.9000
-  1321 O       36.7664   2.3200  25.8923   O.3      200 HOH242  23.4000
-  1322 O       32.0182  -1.6850  16.1652   O.3      201 HOH243  19.0000
-  1323 O       21.7595   7.5919   2.6130   O.3      202 HOH244  18.3000
-  1324 O       39.6978  10.3118 -11.0161   O.3      203 HOH245  25.7000
-  1325 O       27.8398  11.6248  23.7493   O.3      204 HOH246  30.9000
-  1326 O       41.6980  14.8418  -7.8111   O.3      205 HOH247  19.8000
-  1327 O       30.6885   6.6669  -8.6971   O.3      206 HOH248  31.5000
-  1328 O       43.4726   6.4929   6.1461   O.3      207 HOH249  10.7000
-  1329 O       32.1737  10.5858  -3.5570   O.3      208 HOH250  26.1000
-  1330 O       40.1522  18.7107  27.1843   O.3      209 HOH251  32.4000
-  1331 O       24.6920  -4.2579  -4.7641   O.3      210 HOH252  12.2000
-  1332 O       41.4695   4.3179  13.9012   O.3      211 HOH253  33.0000
-  1333 O       25.1911  20.6017  -6.5321   O.3      212 HOH254  15.4000
-  1334 O       41.0107   7.8289  24.2123   O.3      213 HOH255  24.2000
-  1335 O       43.4048  10.8948  -6.8801   O.3      214 HOH256  29.7000
-  1336 O       39.6707   7.4969  31.3124   O.3      215 HOH257  31.7000
-  1337 O       43.5057   6.7829  -3.8940   O.3      216 HOH258  28.1000
-  1338 O       25.5180  16.9427  13.2542   O.3      217 HOH259  33.1000
-  1339 O       39.2250  -6.0019   0.1960   O.3      218 HOH260  35.8000
-  1340 O       36.9174  24.3266  16.0232   O.3      219 HOH261  35.9000
-  1341 O       25.0603   1.8340  18.4872   O.3      220 HOH262  36.1000
-  1342 O       41.1836   5.2309  23.4413   O.3      221 HOH263  36.3000
-  1343 O       45.1229  10.9058  25.4503   O.3      222 HOH264  16.2000
-  1344 O       33.2625  28.0576  -3.2150   O.3      223 HOH265  29.3000
-  1345 O       23.1656  31.4785   4.8171   O.3      224 HOH266  29.4000
-  1346 O       32.7134  25.1836  -9.8821   O.3      225 HOH267  26.8000
-  1347 O       32.7795   5.8389  31.0474   O.3      226 HOH268  37.2000
-  1348 O       39.7323  21.0507  16.9382   O.3      227 HOH269  24.4000
-  1349 O       27.7909  -7.7769   9.2061   O.3      228 HOH270  19.4000
-  1350 O       40.4523  -0.5400  12.2371   O.3      229 HOH271  26.6000
-  1351 O       39.3373   0.1800   5.6891   O.3      230 HOH272  26.6000
-  1352 O       35.1523  -0.6770  18.0132   O.3      231 HOH273  29.9000
-  1353 O       34.1523  23.5236  14.1812   O.3      232 HOH274  34.5000
-  1354 O       21.9131  -0.6670  -2.6560   O.3      233 HOH275  27.4000
-  1355 O       22.9520  18.9077  -4.3081   O.3      234 HOH276  16.3000
-  1356 O       40.7811  17.6517  -9.8181   O.3      235 HOH277  38.4000
-  1357 O       30.1972  19.9937  18.7802   O.3      236 HOH278  40.0000
-  1358 O       35.1672  -2.6580  15.4252   O.3      237 HOH279  22.3000
-  1359 O       20.3476   9.7549  17.0532   O.3      238 HOH280  35.7000
-  1360 O       40.4847  30.3915  -1.2900   O.3      239 HOH281  40.4000
-  1361 O       41.4972  19.4307  -2.4400   O.3      240 HOH282  30.2000
-  1362 O       29.3377  31.9705   1.1880   O.3      241 HOH283  39.2000
-  1363 O       38.3839  12.1738  32.7324   O.3      242 HOH284  38.2000
-  1364 O       28.3272  22.2817 -12.8192   O.3      243 HOH285  40.9000
-  1365 O       21.3578  13.7648   9.0521   O.3      244 HOH286  38.9000
-  1366 O       21.9183  24.3506  -2.6540   O.3      245 HOH287  29.8000
-  1367 O       48.7793  19.7627  14.2772   O.3      246 HOH288  41.5000
-  1368 O       34.5514  25.7196 -12.0391   O.3      247 HOH289  41.5000
-  1369 O       43.6986   5.5499  13.4632   O.3      248 HOH290  39.0000
-  1370 O       43.9989  12.0688  27.6703   O.3      249 HOH291  42.1000
-  1371 O       44.1187   8.5809  24.2743   O.3      250 HOH292  42.1000
-  1372 O       26.6775   6.7889  24.0083   O.3      251 HOH293   9.2000
-  1373 O       44.9438  10.3088  -2.5290   O.3      252 HOH294  30.0000
-  1374 O       22.7015   8.0189  -1.2430   O.3      253 HOH295  15.2000
-  1375 O       34.6647  30.3195  -2.6890   O.3      254 HOH296  38.3000
-  1376 O       49.4368   9.5709  18.2012   O.3      255 HOH297  42.8000
-  1377 O       31.6647  32.0185  13.3282   O.3      256 HOH298  39.8000
-  1378 O       40.1890  -6.1099   2.8570   O.3      257 HOH299  41.5000
-  1379 O       31.0316  30.4395  11.2141   O.3      258 HOH300  43.1000
-  1380 O       24.6581  19.6187   8.5041   O.3      259 HOH301  33.4000
-  1381 O       22.4464   4.8009   0.7290   O.3      260 HOH302  31.5000
-  1382 O       43.1020  14.5458   2.9360   O.3      261 HOH303  43.5000
-  1383 O       31.8684   2.8600  -7.2951   O.3      262 HOH304  26.4000
-  1384 O       31.1780  -5.2459  15.6752   O.3      263 HOH305  43.9000
-  1385 O       28.4437  11.1628  28.5803   O.3      264 HOH306  43.0000
-  1386 O       23.4269  -6.6809  -4.6881   O.3      265 HOH307  44.1000
-  1387 O       32.1142  21.5617  -1.1560   O.3      266 HOH308  26.0000
-  1388 O       28.3503   0.9930  -7.6971   O.3      267 HOH309  42.0000
-  1389 O       38.5768   9.7599  29.9674   O.3      268 HOH310  45.3000
-  1390 O       28.9266  29.6786   9.4481   O.3      269 HOH311  34.0000
-  1391 O       27.3456   9.3359  25.4263   O.3      270 HOH312  43.9000
-  1392 O       31.2327  31.5955  -1.2930   O.3      271 HOH313  42.1000
-  1393 O       31.1108  34.7565   0.8510   O.3      272 HOH314  38.4000
-  1394 O       45.4281  17.0007  -3.5760   O.3      273 HOH315  38.9000
-  1395 O       38.9714  23.2047  -6.6601   O.3      274 HOH316  39.6000
-  1396 O       39.6352  -3.1220   9.8541   O.3      275 HOH317  30.9000
-  1397 O       40.5082  -2.3300  -3.9360   O.3      276 HOH318  12.7000
-  1398 O       41.1479  13.5328  29.7024   O.3      277 HOH319  44.5000
-  1399 O       27.9855   5.1009  -8.9231   O.3      278 HOH320  40.6000
-  1400 O       24.7938  14.2648  23.7753   O.3      279 HOH321  35.9000
-  1401 O       31.9433   0.9420  -5.9241   O.3      280 HOH322  41.8000
-  1402 O       41.5394   1.5840  13.3002   O.3      281 HOH323  28.9000
-  1403 O       27.9037 -10.7318   5.3361   O.3      282 HOH324  46.2000
-  1404 O       44.0661  15.6378  21.4643   O.3      283 HOH325  44.8000
-  1405 O       41.6354  22.4077  -4.7251   O.3      284 HOH326  41.1000
-  1406 O       40.6216   5.8409 -10.4821   O.3      285 HOH327  35.4000
-  1407 O       27.0683  24.0036  -8.4671   O.3      286 HOH328  46.7000
-  1408 O       31.8063  22.0417  15.1162   O.3      287 HOH329  41.8000
-  1409 O       33.6124   3.3959  30.9804   O.3      288 HOH330  45.6000
-  1410 O       23.5385   6.6219   2.1080   O.3      289 HOH331  46.5000
-  1411 O       28.5320  -4.0809  16.0602   O.3      290 HOH332  45.8000
-  1412 O       46.9655  24.7736  10.5731   O.3      291 HOH333  36.6000
-  1413 O       25.3030  17.7067 -12.0311   O.3      292 HOH334  41.7000
-  1414 O       40.6297   8.1859 -12.1571   O.3      293 HOH335  45.7000
-  1415 O       34.4402  20.7587  18.9552   O.3      294 HOH336   9.7000
-  1416 O       46.6788   8.8159  12.2651   O.3      295 HOH337  32.7000
-  1417 O       41.5674  22.9597  14.7692   O.3      296 HOH338  43.3000
-  1418 O       26.0890  -3.9519  -6.6561   O.3      297 HOH339  48.9000
-  1419 O       29.9377  10.7148  26.0743   O.3      298 HOH340  36.4000
-  1420 O       44.6195  24.8466   2.5580   O.3      299 HOH341  38.1000
-  1421 O       29.9889  -7.2199  10.5421   O.3      300 HOH342  45.3000
-  1422 O       43.0891  16.6967  -6.2851   O.3      301 HOH343  43.5000
-  1423 O       23.7270  -3.2880  11.7521   O.3      302 HOH344  44.5000
-  1424 O       22.4961  20.7367  -6.1401   O.3      303 HOH345  53.1000
-  1425 O       50.2336   5.3719  17.0212   O.3      304 HOH346  49.0000
-  1426 O       39.5533  -0.1550  15.4612   O.3      305 HOH347  46.4000
-  1427 O       33.5083   1.2510  28.5253   O.3      306 HOH348  46.4000
-  1428 O       20.0334   5.9459  15.7552   O.3      307 HOH349  21.0000
-  1429 O       21.6137  10.8888  -2.9230   O.3      308 HOH350  50.7000
-  1430 O       27.9671  -2.2310  -5.5671   O.3      309 HOH351  54.6000
-  1431 O       35.6025   4.1829 -13.1202   O.3      310 HOH352  50.5000
-  1432 O       43.9185   2.3550   9.2321   O.3      311 HOH353  46.4000
-  1433 O       38.4212  19.7017 -10.3111   O.3      312 HOH354  34.2000
-  1434 O       20.6393   2.9720   1.5470   O.3      313 HOH355  50.8000
-  1435 O       38.4883  21.4787  26.9423   O.3      314 HOH356  57.2000
-  1436 O       23.5234   4.8039  -7.8861   O.3      315 HOH357  50.4000
-  1437 O       23.2402  23.0467  -5.0661   O.3      316 HOH358  57.6000
-@<TRIPOS>BOND
-     1     1     2    1
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-     4     2     5    1
-     5     5     6    1
-     6     6     7    1
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-  1169  1136  1142   am
-  1170  1142  1143    1
-  1171  1143  1144    1
-  1172  1144  1145    2
-  1173  1143  1146    1
-  1174  1144  1147   am
-  1175  1147  1148    1
-  1176  1148  1149    1
-  1177  1149  1150    2
-  1178  1148  1151    1
-  1179  1149  1152   am
-  1180  1152  1153    1
-  1181  1153  1154    1
-  1182  1154  1155    2
-  1183  1153  1156    1
-  1184  1156  1157    1
-  1185  1157  1158    1
-  1186  1158  1159    1
-  1187  1159  1160    1
-  1188  1154  1161   am
-  1189  1161  1162    1
-  1190  1162  1163    1
-  1191  1163  1164    2
-  1192  1162  1165    1
-  1193  1165  1166    1
-  1194  1166  1167   ar
-  1195  1166  1168   ar
-  1196  1167  1169   ar
-  1197  1168  1170   ar
-  1198  1169  1171   ar
-  1199  1170  1171   ar
-  1200  1171  1172    1
-  1201  1163  1173   am
-  1202  1173  1174    1
-  1203  1174  1175    1
-  1204  1175  1176    2
-  1205  1174  1177    1
-  1206  1177  1178    1
-  1207  1178  1179    1
-  1208  1179  1180    1
-  1209  1180  1181    1
-  1210  1175  1182   am
-  1211  1182  1183    1
-  1212  1183  1184    1
-  1213  1184  1185    2
-  1214  1183  1186    1
-  1215  1186  1187    1
-  1216  1187  1188    1
-  1217  1188  1189   ar
-  1218  1188  1190   ar
-  1219  1184  1191   am
-  1220  1191  1192    1
-  1221  1192  1193    1
-  1222  1193  1194    2
-  1223  1192  1195    1
-  1224  1195  1196    1
-  1225  1196  1197    1
-  1226  1196  1198    1
-  1227  1193  1199   am
-  1228  1199  1200    1
-  1229  1200  1201    1
-  1230  1201  1202    2
-  1231  1201  1203   am
-  1232  1203  1204    1
-  1233  1204  1205    1
-  1234  1205  1206    2
-  1235  1204  1207    1
-  1236  1207  1208    1
-  1237  1208  1209   ar
-  1238  1208  1210   ar
-  1239  1209  1211   ar
-  1240  1210  1212   ar
-  1241  1211  1213   ar
-  1242  1212  1213   ar
-  1243  1213  1214    1
-  1244  1205  1215   am
-  1245  1215  1216    1
-  1246  1216  1217    1
-  1247  1217  1218    2
-  1248  1216  1219    1
-  1249  1219  1220    1
-  1250  1220  1221    1
-  1251  1221  1222    2
-  1252  1221  1223   am
-  1253  1217  1224   am
-  1254  1224  1225    1
-  1255  1225  1226    1
-  1256  1226  1227    2
-  1257  1226  1228    1
-  1258  1229  1230   un
-  1259  1229  1231   un
-  1260  1229  1232   un
-  1261  1229  1233   un
-  1262  1234  1239   un
-  1263  1235  1240   un
-  1264  1239  1240   un
-  1265  1240  1241    1
-  1266  1241  1242    1
-  1267  1236  1243   un
-  1268  1239  1243   un
-  1269  1242  1243   un
-  1270  1242  1244    1
-  1271  1241  1245    1
-  1272  1245  1246    1
-  1273  1246  1247    1
-  1274  1247  1248   un
-  1275  1247  1249   un
-  1276  1234  1250   un
-  1277  1236  1251   un
-  1278  1250  1251   un
-  1279  1251  1252    1
-  1280  1252  1253    1
-  1281  1237  1254   un
-  1282  1250  1254   un
-  1283  1253  1254   un
-  1284  1252  1255    1
-  1285  1253  1256   un
-  1286  1256  1257    1
-  1287  1234  1258   un
-  1288  1237  1259   un
-  1289  1258  1259   un
-  1290  1259  1260   un
-  1291  1260  1261   un
-  1292  1238  1262   un
-  1293  1258  1262   un
-  1294  1261  1262   un
-  1295  1260  1263    1
-  1296  1261  1264   un
-  1297  1264  1265    1
-  1298  1234  1266   un
-  1299  1238  1267   un
-  1300  1266  1267   un
-  1301  1267  1268    1
-  1302  1268  1269    1
-  1303  1235  1270   un
-  1304  1266  1270   un
-  1305  1269  1270    1
-  1306  1268  1271    1
-  1307  1269  1272    1
-  1308  1272  1273    1
-  1309  1273  1274    1
-  1310  1274  1275   un
-  1311  1274  1276   un
-  1312  1277  1278   un
-@<TRIPOS>SUBSTRUCTURE
-     1 MET0        1 RESIDUE           0 A     MET     0  
-     2 VAL1        9 RESIDUE           0 A     VAL     0  
-     3 LEU2       16 RESIDUE           0 A     LEU     0  
-     4 SER3       24 RESIDUE           0 A     SER     0  
-     5 GLU4       30 RESIDUE           0 A     GLU     0  
-     6 GLY5       39 RESIDUE           0 A     GLY     0  
-     7 GLU6       43 RESIDUE           0 A     GLU     0  
-     8 TRP7       52 RESIDUE           0 A     TRP     0  
-     9 GLN8       66 RESIDUE           0 A     GLN     0  
-    10 LEU9       75 RESIDUE           0 A     LEU     0  
-    11 VAL10      83 RESIDUE           0 A     VAL     0  
-    12 LEU11      90 RESIDUE           0 A     LEU     0  
-    13 HIS12      98 RESIDUE           0 A     HIS     0  
-    14 VAL13     108 RESIDUE           0 A     VAL     0  
-    15 TRP14     115 RESIDUE           0 A     TRP     0  
-    16 ALA15     129 RESIDUE           0 A     ALA     0  
-    17 LYS16     134 RESIDUE           0 A     LYS     0  
-    18 VAL17     143 RESIDUE           0 A     VAL     0  
-    19 GLU18     150 RESIDUE           0 A     GLU     0  
-    20 ALA19     159 RESIDUE           0 A     ALA     0  
-    21 ASP20     164 RESIDUE           0 A     ASP     0  
-    22 VAL21     172 RESIDUE           0 A     VAL     0  
-    23 ALA22     179 RESIDUE           0 A     ALA     0  
-    24 GLY23     184 RESIDUE           0 A     GLY     0  
-    25 HIS24     188 RESIDUE           0 A     HIS     0  
-    26 GLY25     198 RESIDUE           0 A     GLY     0  
-    27 GLN26     202 RESIDUE           0 A     GLN     0  
-    28 ASP27     211 RESIDUE           0 A     ASP     0  
-    29 ILE28     219 RESIDUE           0 A     ILE     0  
-    30 PHE29     227 RESIDUE           0 A     PHE     0  
-    31 ILE30     238 RESIDUE           0 A     ILE     0  
-    32 ARG31     246 RESIDUE           0 A     ARG     0  
-    33 LEU32     257 RESIDUE           0 A     LEU     0  
-    34 PHE33     265 RESIDUE           0 A     PHE     0  
-    35 LYS34     276 RESIDUE           0 A     LYS     0  
-    36 SER35     285 RESIDUE           0 A     SER     0  
-    37 HIS36     291 RESIDUE           0 A     HIS     0  
-    38 PRO37     301 RESIDUE           0 A     PRO     0  
-    39 GLU38     308 RESIDUE           0 A     GLU     0  
-    40 THR39     317 RESIDUE           0 A     THR     0  
-    41 LEU40     324 RESIDUE           0 A     LEU     0  
-    42 GLU41     332 RESIDUE           0 A     GLU     0  
-    43 LYS42     341 RESIDUE           0 A     LYS     0  
-    44 PHE43     350 RESIDUE           0 A     PHE     0  
-    45 ASP44     361 RESIDUE           0 A     ASP     0  
-    46 ARG45     369 RESIDUE           0 A     ARG     0  
-    47 PHE46     380 RESIDUE           0 A     PHE     0  
-    48 LYS47     391 RESIDUE           0 A     LYS     0  
-    49 HIS48     400 RESIDUE           0 A     HIS     0  
-    50 LEU49     410 RESIDUE           0 A     LEU     0  
-    51 LYS50     418 RESIDUE           0 A     LYS     0  
-    52 THR51     427 RESIDUE           0 A     THR     0  
-    53 GLU52     434 RESIDUE           0 A     GLU     0  
-    54 ALA53     443 RESIDUE           0 A     ALA     0  
-    55 GLU54     448 RESIDUE           0 A     GLU     0  
-    56 MET55     457 RESIDUE           0 A     MET     0  
-    57 LYS56     465 RESIDUE           0 A     LYS     0  
-    58 ALA57     474 RESIDUE           0 A     ALA     0  
-    59 SER58     479 RESIDUE           0 A     SER     0  
-    60 GLU59     485 RESIDUE           0 A     GLU     0  
-    61 ASP60     494 RESIDUE           0 A     ASP     0  
-    62 LEU61     502 RESIDUE           0 A     LEU     0  
-    63 LYS62     510 RESIDUE           0 A     LYS     0  
-    64 LYS63     519 RESIDUE           0 A     LYS     0  
-    65 HIS64     528 RESIDUE           0 A     HIS     0  
-    66 GLY65     538 RESIDUE           0 A     GLY     0  
-    67 VAL66     542 RESIDUE           0 A     VAL     0  
-    68 THR67     549 RESIDUE           0 A     THR     0  
-    69 VAL68     556 RESIDUE           0 A     VAL     0  
-    70 LEU69     563 RESIDUE           0 A     LEU     0  
-    71 THR70     571 RESIDUE           0 A     THR     0  
-    72 ALA71     578 RESIDUE           0 A     ALA     0  
-    73 LEU72     583 RESIDUE           0 A     LEU     0  
-    74 GLY73     591 RESIDUE           0 A     GLY     0  
-    75 ALA74     595 RESIDUE           0 A     ALA     0  
-    76 ILE75     600 RESIDUE           0 A     ILE     0  
-    77 LEU76     608 RESIDUE           0 A     LEU     0  
-    78 LYS77     616 RESIDUE           0 A     LYS     0  
-    79 LYS78     625 RESIDUE           0 A     LYS     0  
-    80 LYS79     634 RESIDUE           0 A     LYS     0  
-    81 GLY80     643 RESIDUE           0 A     GLY     0  
-    82 HIS81     647 RESIDUE           0 A     HIS     0  
-    83 HIS82     657 RESIDUE           0 A     HIS     0  
-    84 GLU83     667 RESIDUE           0 A     GLU     0  
-    85 ALA84     676 RESIDUE           0 A     ALA     0  
-    86 GLU85     681 RESIDUE           0 A     GLU     0  
-    87 LEU86     690 RESIDUE           0 A     LEU     0  
-    88 LYS87     698 RESIDUE           0 A     LYS     0  
-    89 PRO88     707 RESIDUE           0 A     PRO     0  
-    90 LEU89     714 RESIDUE           0 A     LEU     0  
-    91 ALA90     722 RESIDUE           0 A     ALA     0  
-    92 GLN91     727 RESIDUE           0 A     GLN     0  
-    93 SER92     736 RESIDUE           0 A     SER     0  
-    94 HIS93     742 RESIDUE           0 A     HIS     0  
-    95 ALA94     752 RESIDUE           0 A     ALA     0  
-    96 THR95     757 RESIDUE           0 A     THR     0  
-    97 LYS96     764 RESIDUE           0 A     LYS     0  
-    98 HIS97     773 RESIDUE           0 A     HIS     0  
-    99 LYS98     783 RESIDUE           0 A     LYS     0  
-   100 ILE99     792 RESIDUE           0 A     ILE     0  
-   101 PRO100    800 RESIDUE           0 A     PRO     0  
-   102 ILE101    807 RESIDUE           0 A     ILE     0  
-   103 LYS102    815 RESIDUE           0 A     LYS     0  
-   104 TYR103    824 RESIDUE           0 A     TYR     0  
-   105 LEU104    836 RESIDUE           0 A     LEU     0  
-   106 GLU105    844 RESIDUE           0 A     GLU     0  
-   107 PHE106    853 RESIDUE           0 A     PHE     0  
-   108 ILE107    864 RESIDUE           0 A     ILE     0  
-   109 SER108    872 RESIDUE           0 A     SER     0  
-   110 GLU109    878 RESIDUE           0 A     GLU     0  
-   111 ALA110    887 RESIDUE           0 A     ALA     0  
-   112 ILE111    892 RESIDUE           0 A     ILE     0  
-   113 ILE112    900 RESIDUE           0 A     ILE     0  
-   114 HIS113    908 RESIDUE           0 A     HIS     0  
-   115 VAL114    918 RESIDUE           0 A     VAL     0  
-   116 LEU115    925 RESIDUE           0 A     LEU     0  
-   117 HIS116    933 RESIDUE           0 A     HIS     0  
-   118 SER117    943 RESIDUE           0 A     SER     0  
-   119 ARG118    949 RESIDUE           0 A     ARG     0  
-   120 HIS119    960 RESIDUE           0 A     HIS     0  
-   121 PRO120    970 RESIDUE           0 A     PRO     0  
-   122 GLY121    977 RESIDUE           0 A     GLY     0  
-   123 ASN122    981 RESIDUE           0 A     ASN     0  
-   124 PHE123    989 RESIDUE           0 A     PHE     0  
-   125 GLY124   1000 RESIDUE           0 A     GLY     0  
-   126 ALA125   1004 RESIDUE           0 A     ALA     0  
-   127 ASP126   1009 RESIDUE           0 A     ASP     0  
-   128 ALA127   1017 RESIDUE           0 A     ALA     0  
-   129 GLN128   1022 RESIDUE           0 A     GLN     0  
-   130 GLY129   1031 RESIDUE           0 A     GLY     0  
-   131 ALA130   1035 RESIDUE           0 A     ALA     0  
-   132 MET131   1040 RESIDUE           0 A     MET     0  
-   133 ASN132   1048 RESIDUE           0 A     ASN     0  
-   134 LYS133   1056 RESIDUE           0 A     LYS     0  
-   135 ALA134   1065 RESIDUE           0 A     ALA     0  
-   136 LEU135   1070 RESIDUE           0 A     LEU     0  
-   137 GLU136   1078 RESIDUE           0 A     GLU     0  
-   138 LEU137   1087 RESIDUE           0 A     LEU     0  
-   139 PHE138   1095 RESIDUE           0 A     PHE     0  
-   140 ARG139   1106 RESIDUE           0 A     ARG     0  
-   141 LYS140   1117 RESIDUE           0 A     LYS     0  
-   142 ASP141   1126 RESIDUE           0 A     ASP     0  
-   143 ILE142   1134 RESIDUE           0 A     ILE     0  
-   144 ALA143   1142 RESIDUE           0 A     ALA     0  
-   145 ALA144   1147 RESIDUE           0 A     ALA     0  
-   146 LYS145   1152 RESIDUE           0 A     LYS     0  
-   147 TYR146   1161 RESIDUE           0 A     TYR     0  
-   148 LYS147   1173 RESIDUE           0 A     LYS     0  
-   149 GLU148   1182 RESIDUE           0 A     GLU     0  
-   150 LEU149   1191 RESIDUE           0 A     LEU     0  
-   151 GLY150   1199 RESIDUE           0 A     GLY     0  
-   152 TYR151   1203 RESIDUE           0 A     TYR     0  
-   153 GLN152   1215 RESIDUE           0 A     GLN     0  
-   154 GLY153   1224 RESIDUE           0 A     GLY     0  
-   155 SO4156   1229 GROUP             0 A     SO4     0  
-   156 HEM154   1234 GROUP             0 A     HEM     0  
-   157 CMO155   1277 GROUP             0 A     CMO     0  
-   158 HOH200   1279 GROUP             0 A     HOH     0  
-   159 HOH201   1280 GROUP             0 A     HOH     0  
-   160 HOH202   1281 GROUP             0 A     HOH     0  
-   161 HOH203   1282 GROUP             0 A     HOH     0  
-   162 HOH204   1283 GROUP             0 A     HOH     0  
-   163 HOH205   1284 GROUP             0 A     HOH     0  
-   164 HOH206   1285 GROUP             0 A     HOH     0  
-   165 HOH207   1286 GROUP             0 A     HOH     0  
-   166 HOH208   1287 GROUP             0 A     HOH     0  
-   167 HOH209   1288 GROUP             0 A     HOH     0  
-   168 HOH210   1289 GROUP             0 A     HOH     0  
-   169 HOH211   1290 GROUP             0 A     HOH     0  
-   170 HOH212   1291 GROUP             0 A     HOH     0  
-   171 HOH213   1292 GROUP             0 A     HOH     0  
-   172 HOH214   1293 GROUP             0 A     HOH     0  
-   173 HOH215   1294 GROUP             0 A     HOH     0  
-   174 HOH216   1295 GROUP             0 A     HOH     0  
-   175 HOH217   1296 GROUP             0 A     HOH     0  
-   176 HOH218   1297 GROUP             0 A     HOH     0  
-   177 HOH219   1298 GROUP             0 A     HOH     0  
-   178 HOH220   1299 GROUP             0 A     HOH     0  
-   179 HOH221   1300 GROUP             0 A     HOH     0  
-   180 HOH222   1301 GROUP             0 A     HOH     0  
-   181 HOH223   1302 GROUP             0 A     HOH     0  
-   182 HOH224   1303 GROUP             0 A     HOH     0  
-   183 HOH225   1304 GROUP             0 A     HOH     0  
-   184 HOH226   1305 GROUP             0 A     HOH     0  
-   185 HOH227   1306 GROUP             0 A     HOH     0  
-   186 HOH228   1307 GROUP             0 A     HOH     0  
-   187 HOH229   1308 GROUP             0 A     HOH     0  
-   188 HOH230   1309 GROUP             0 A     HOH     0  
-   189 HOH231   1310 GROUP             0 A     HOH     0  
-   190 HOH232   1311 GROUP             0 A     HOH     0  
-   191 HOH233   1312 GROUP             0 A     HOH     0  
-   192 HOH234   1313 GROUP             0 A     HOH     0  
-   193 HOH235   1314 GROUP             0 A     HOH     0  
-   194 HOH236   1315 GROUP             0 A     HOH     0  
-   195 HOH237   1316 GROUP             0 A     HOH     0  
-   196 HOH238   1317 GROUP             0 A     HOH     0  
-   197 HOH239   1318 GROUP             0 A     HOH     0  
-   198 HOH240   1319 GROUP             0 A     HOH     0  
-   199 HOH241   1320 GROUP             0 A     HOH     0  
-   200 HOH242   1321 GROUP             0 A     HOH     0  
-   201 HOH243   1322 GROUP             0 A     HOH     0  
-   202 HOH244   1323 GROUP             0 A     HOH     0  
-   203 HOH245   1324 GROUP             0 A     HOH     0  
-   204 HOH246   1325 GROUP             0 A     HOH     0  
-   205 HOH247   1326 GROUP             0 A     HOH     0  
-   206 HOH248   1327 GROUP             0 A     HOH     0  
-   207 HOH249   1328 GROUP             0 A     HOH     0  
-   208 HOH250   1329 GROUP             0 A     HOH     0  
-   209 HOH251   1330 GROUP             0 A     HOH     0  
-   210 HOH252   1331 GROUP             0 A     HOH     0  
-   211 HOH253   1332 GROUP             0 A     HOH     0  
-   212 HOH254   1333 GROUP             0 A     HOH     0  
-   213 HOH255   1334 GROUP             0 A     HOH     0  
-   214 HOH256   1335 GROUP             0 A     HOH     0  
-   215 HOH257   1336 GROUP             0 A     HOH     0  
-   216 HOH258   1337 GROUP             0 A     HOH     0  
-   217 HOH259   1338 GROUP             0 A     HOH     0  
-   218 HOH260   1339 GROUP             0 A     HOH     0  
-   219 HOH261   1340 GROUP             0 A     HOH     0  
-   220 HOH262   1341 GROUP             0 A     HOH     0  
-   221 HOH263   1342 GROUP             0 A     HOH     0  
-   222 HOH264   1343 GROUP             0 A     HOH     0  
-   223 HOH265   1344 GROUP             0 A     HOH     0  
-   224 HOH266   1345 GROUP             0 A     HOH     0  
-   225 HOH267   1346 GROUP             0 A     HOH     0  
-   226 HOH268   1347 GROUP             0 A     HOH     0  
-   227 HOH269   1348 GROUP             0 A     HOH     0  
-   228 HOH270   1349 GROUP             0 A     HOH     0  
-   229 HOH271   1350 GROUP             0 A     HOH     0  
-   230 HOH272   1351 GROUP             0 A     HOH     0  
-   231 HOH273   1352 GROUP             0 A     HOH     0  
-   232 HOH274   1353 GROUP             0 A     HOH     0  
-   233 HOH275   1354 GROUP             0 A     HOH     0  
-   234 HOH276   1355 GROUP             0 A     HOH     0  
-   235 HOH277   1356 GROUP             0 A     HOH     0  
-   236 HOH278   1357 GROUP             0 A     HOH     0  
-   237 HOH279   1358 GROUP             0 A     HOH     0  
-   238 HOH280   1359 GROUP             0 A     HOH     0  
-   239 HOH281   1360 GROUP             0 A     HOH     0  
-   240 HOH282   1361 GROUP             0 A     HOH     0  
-   241 HOH283   1362 GROUP             0 A     HOH     0  
-   242 HOH284   1363 GROUP             0 A     HOH     0  
-   243 HOH285   1364 GROUP             0 A     HOH     0  
-   244 HOH286   1365 GROUP             0 A     HOH     0  
-   245 HOH287   1366 GROUP             0 A     HOH     0  
-   246 HOH288   1367 GROUP             0 A     HOH     0  
-   247 HOH289   1368 GROUP             0 A     HOH     0  
-   248 HOH290   1369 GROUP             0 A     HOH     0  
-   249 HOH291   1370 GROUP             0 A     HOH     0  
-   250 HOH292   1371 GROUP             0 A     HOH     0  
-   251 HOH293   1372 GROUP             0 A     HOH     0  
-   252 HOH294   1373 GROUP             0 A     HOH     0  
-   253 HOH295   1374 GROUP             0 A     HOH     0  
-   254 HOH296   1375 GROUP             0 A     HOH     0  
-   255 HOH297   1376 GROUP             0 A     HOH     0  
-   256 HOH298   1377 GROUP             0 A     HOH     0  
-   257 HOH299   1378 GROUP             0 A     HOH     0  
-   258 HOH300   1379 GROUP             0 A     HOH     0  
-   259 HOH301   1380 GROUP             0 A     HOH     0  
-   260 HOH302   1381 GROUP             0 A     HOH     0  
-   261 HOH303   1382 GROUP             0 A     HOH     0  
-   262 HOH304   1383 GROUP             0 A     HOH     0  
-   263 HOH305   1384 GROUP             0 A     HOH     0  
-   264 HOH306   1385 GROUP             0 A     HOH     0  
-   265 HOH307   1386 GROUP             0 A     HOH     0  
-   266 HOH308   1387 GROUP             0 A     HOH     0  
-   267 HOH309   1388 GROUP             0 A     HOH     0  
-   268 HOH310   1389 GROUP             0 A     HOH     0  
-   269 HOH311   1390 GROUP             0 A     HOH     0  
-   270 HOH312   1391 GROUP             0 A     HOH     0  
-   271 HOH313   1392 GROUP             0 A     HOH     0  
-   272 HOH314   1393 GROUP             0 A     HOH     0  
-   273 HOH315   1394 GROUP             0 A     HOH     0  
-   274 HOH316   1395 GROUP             0 A     HOH     0  
-   275 HOH317   1396 GROUP             0 A     HOH     0  
-   276 HOH318   1397 GROUP             0 A     HOH     0  
-   277 HOH319   1398 GROUP             0 A     HOH     0  
-   278 HOH320   1399 GROUP             0 A     HOH     0  
-   279 HOH321   1400 GROUP             0 A     HOH     0  
-   280 HOH322   1401 GROUP             0 A     HOH     0  
-   281 HOH323   1402 GROUP             0 A     HOH     0  
-   282 HOH324   1403 GROUP             0 A     HOH     0  
-   283 HOH325   1404 GROUP             0 A     HOH     0  
-   284 HOH326   1405 GROUP             0 A     HOH     0  
-   285 HOH327   1406 GROUP             0 A     HOH     0  
-   286 HOH328   1407 GROUP             0 A     HOH     0  
-   287 HOH329   1408 GROUP             0 A     HOH     0  
-   288 HOH330   1409 GROUP             0 A     HOH     0  
-   289 HOH331   1410 GROUP             0 A     HOH     0  
-   290 HOH332   1411 GROUP             0 A     HOH     0  
-   291 HOH333   1412 GROUP             0 A     HOH     0  
-   292 HOH334   1413 GROUP             0 A     HOH     0  
-   293 HOH335   1414 GROUP             0 A     HOH     0  
-   294 HOH336   1415 GROUP             0 A     HOH     0  
-   295 HOH337   1416 GROUP             0 A     HOH     0  
-   296 HOH338   1417 GROUP             0 A     HOH     0  
-   297 HOH339   1418 GROUP             0 A     HOH     0  
-   298 HOH340   1419 GROUP             0 A     HOH     0  
-   299 HOH341   1420 GROUP             0 A     HOH     0  
-   300 HOH342   1421 GROUP             0 A     HOH     0  
-   301 HOH343   1422 GROUP             0 A     HOH     0  
-   302 HOH344   1423 GROUP             0 A     HOH     0  
-   303 HOH345   1424 GROUP             0 A     HOH     0  
-   304 HOH346   1425 GROUP             0 A     HOH     0  
-   305 HOH347   1426 GROUP             0 A     HOH     0  
-   306 HOH348   1427 GROUP             0 A     HOH     0  
-   307 HOH349   1428 GROUP             0 A     HOH     0  
-   308 HOH350   1429 GROUP             0 A     HOH     0  
-   309 HOH351   1430 GROUP             0 A     HOH     0  
-   310 HOH352   1431 GROUP             0 A     HOH     0  
-   311 HOH353   1432 GROUP             0 A     HOH     0  
-   312 HOH354   1433 GROUP             0 A     HOH     0  
-   313 HOH355   1434 GROUP             0 A     HOH     0  
-   314 HOH356   1435 GROUP             0 A     HOH     0  
-   315 HOH357   1436 GROUP             0 A     HOH     0  
-   316 HOH358   1437 GROUP             0 A     HOH     0  
-@<TRIPOS>SET
-CCDC_AMINOACID STATIC ATOMS
-1228 1 2 3 4 5 6 7 8 9 \
-10 11 12 13 14 15 16 17 18 19 \
-20 21 22 23 24 25 26 27 28 29 \
-30 31 32 33 34 35 36 37 38 39 \
-40 41 42 43 44 45 46 47 48 49 \
-50 51 52 53 54 55 56 57 58 59 \
-60 61 62 63 64 65 66 67 68 69 \
-70 71 72 73 74 75 76 77 78 79 \
-80 81 82 83 84 85 86 87 88 89 \
-90 91 92 93 94 95 96 97 98 99 \
-100 101 102 103 104 105 106 107 108 109 \
-110 111 112 113 114 115 116 117 118 119 \
-120 121 122 123 124 125 126 127 128 129 \
-130 131 132 133 134 135 136 137 138 139 \
-140 141 142 143 144 145 146 147 148 149 \
-150 151 152 153 154 155 156 157 158 159 \
-160 161 162 163 164 165 166 167 168 169 \
-170 171 172 173 174 175 176 177 178 179 \
-180 181 182 183 184 185 186 187 188 189 \
-190 191 192 193 194 195 196 197 198 199 \
-200 201 202 203 204 205 206 207 208 209 \
-210 211 212 213 214 215 216 217 218 219 \
-220 221 222 223 224 225 226 227 228 229 \
-230 231 232 233 234 235 236 237 238 239 \
-240 241 242 243 244 245 246 247 248 249 \
-250 251 252 253 254 255 256 257 258 259 \
-260 261 262 263 264 265 266 267 268 269 \
-270 271 272 273 274 275 276 277 278 279 \
-280 281 282 283 284 285 286 287 288 289 \
-290 291 292 293 294 295 296 297 298 299 \
-300 301 302 303 304 305 306 307 308 309 \
-310 311 312 313 314 315 316 317 318 319 \
-320 321 322 323 324 325 326 327 328 329 \
-330 331 332 333 334 335 336 337 338 339 \
-340 341 342 343 344 345 346 347 348 349 \
-350 351 352 353 354 355 356 357 358 359 \
-360 361 362 363 364 365 366 367 368 369 \
-370 371 372 373 374 375 376 377 378 379 \
-380 381 382 383 384 385 386 387 388 389 \
-390 391 392 393 394 395 396 397 398 399 \
-400 401 402 403 404 405 406 407 408 409 \
-410 411 412 413 414 415 416 417 418 419 \
-420 421 422 423 424 425 426 427 428 429 \
-430 431 432 433 434 435 436 437 438 439 \
-440 441 442 443 444 445 446 447 448 449 \
-450 451 452 453 454 455 456 457 458 459 \
-460 461 462 463 464 465 466 467 468 469 \
-470 471 472 473 474 475 476 477 478 479 \
-480 481 482 483 484 485 486 487 488 489 \
-490 491 492 493 494 495 496 497 498 499 \
-500 501 502 503 504 505 506 507 508 509 \
-510 511 512 513 514 515 516 517 518 519 \
-520 521 522 523 524 525 526 527 528 529 \
-530 531 532 533 534 535 536 537 538 539 \
-540 541 542 543 544 545 546 547 548 549 \
-550 551 552 553 554 555 556 557 558 559 \
-560 561 562 563 564 565 566 567 568 569 \
-570 571 572 573 574 575 576 577 578 579 \
-580 581 582 583 584 585 586 587 588 589 \
-590 591 592 593 594 595 596 597 598 599 \
-600 601 602 603 604 605 606 607 608 609 \
-610 611 612 613 614 615 616 617 618 619 \
-620 621 622 623 624 625 626 627 628 629 \
-630 631 632 633 634 635 636 637 638 639 \
-640 641 642 643 644 645 646 647 648 649 \
-650 651 652 653 654 655 656 657 658 659 \
-660 661 662 663 664 665 666 667 668 669 \
-670 671 672 673 674 675 676 677 678 679 \
-680 681 682 683 684 685 686 687 688 689 \
-690 691 692 693 694 695 696 697 698 699 \
-700 701 702 703 704 705 706 707 708 709 \
-710 711 712 713 714 715 716 717 718 719 \
-720 721 722 723 724 725 726 727 728 729 \
-730 731 732 733 734 735 736 737 738 739 \
-740 741 742 743 744 745 746 747 748 749 \
-750 751 752 753 754 755 756 757 758 759 \
-760 761 762 763 764 765 766 767 768 769 \
-770 771 772 773 774 775 776 777 778 779 \
-780 781 782 783 784 785 786 787 788 789 \
-790 791 792 793 794 795 796 797 798 799 \
-800 801 802 803 804 805 806 807 808 809 \
-810 811 812 813 814 815 816 817 818 819 \
-820 821 822 823 824 825 826 827 828 829 \
-830 831 832 833 834 835 836 837 838 839 \
-840 841 842 843 844 845 846 847 848 849 \
-850 851 852 853 854 855 856 857 858 859 \
-860 861 862 863 864 865 866 867 868 869 \
-870 871 872 873 874 875 876 877 878 879 \
-880 881 882 883 884 885 886 887 888 889 \
-890 891 892 893 894 895 896 897 898 899 \
-900 901 902 903 904 905 906 907 908 909 \
-910 911 912 913 914 915 916 917 918 919 \
-920 921 922 923 924 925 926 927 928 929 \
-930 931 932 933 934 935 936 937 938 939 \
-940 941 942 943 944 945 946 947 948 949 \
-950 951 952 953 954 955 956 957 958 959 \
-960 961 962 963 964 965 966 967 968 969 \
-970 971 972 973 974 975 976 977 978 979 \
-980 981 982 983 984 985 986 987 988 989 \
-990 991 992 993 994 995 996 997 998 999 \
-1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 \
-1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 \
-1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 \
-1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 \
-1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 \
-1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 \
-1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 \
-1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 \
-1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 \
-1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 \
-1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 \
-1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 \
-1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 \
-1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 \
-1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 \
-1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 \
-1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 \
-1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 \
-1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 \
-1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 \
-1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 \
-1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 \
-1220 1221 1222 1223 1224 1225 1226 1227 1228 
-CCDC_LIGAND STATIC ATOMS
-7 1229 1230 1231 1232 1233 1277 1278 
-CCDC_METAL STATIC ATOMS
-1 1234 
-CCDC_COFACTOR STATIC ATOMS
-42 1235 1236 1237 1238 1239 1240 1241 1242 1243 \
-1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 \
-1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 \
-1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 \
-1274 1275 1276 
-CCDC_WATER STATIC ATOMS
-159 1279 1280 1281 1282 1283 1284 1285 1286 1287 \
-1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 \
-1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 \
-1308 1309 1310 1311 1312 1313 1314 1315 1316 1317 \
-1318 1319 1320 1321 1322 1323 1324 1325 1326 1327 \
-1328 1329 1330 1331 1332 1333 1334 1335 1336 1337 \
-1338 1339 1340 1341 1342 1343 1344 1345 1346 1347 \
-1348 1349 1350 1351 1352 1353 1354 1355 1356 1357 \
-1358 1359 1360 1361 1362 1363 1364 1365 1366 1367 \
-1368 1369 1370 1371 1372 1373 1374 1375 1376 1377 \
-1378 1379 1380 1381 1382 1383 1384 1385 1386 1387 \
-1388 1389 1390 1391 1392 1393 1394 1395 1396 1397 \
-1398 1399 1400 1401 1402 1403 1404 1405 1406 1407 \
-1408 1409 1410 1411 1412 1413 1414 1415 1416 1417 \
-1418 1419 1420 1421 1422 1423 1424 1425 1426 1427 \
-1428 1429 1430 1431 1432 1433 1434 1435 1436 1437 
-@<TRIPOS>CRYSIN
-   91.2000   91.2000   45.8700   90.0000   90.0000  120.0000   168     1
diff --git a/Tests/ChemSharp.Tests/files/oriluy.pdb b/Tests/ChemSharp.Tests/files/oriluy.pdb
deleted file mode 100644
index a9d3427..0000000
--- a/Tests/ChemSharp.Tests/files/oriluy.pdb
+++ /dev/null
@@ -1,337 +0,0 @@
-HEADER    CSD ENTRY ps16bw
-CRYST1  11.2636  19.2851  23.6216  90.00  90.00  90.00   P212121
-SCALE1      0.088782  0.000000  0.000000       0.000000
-SCALE2      0.000000  0.051854  0.000000       0.000000
-SCALE3      0.000000  0.000000  0.042334       0.000000
-HETATM    1  H5N UNK     1      11.973   3.221   8.853  1.00  1.58           H  
-HETATM    2 Zn1  UNK     1       9.366   1.848  10.689  1.00  1.51          ZN  
-ANISOU    2 Zn1  UNK     1      174    173    226    -13     -6      1      ZN  
-HETATM    3 Cl1  UNK     1      11.020   0.816   9.424  1.00  2.20          CL  
-ANISOU    3 Cl1  UNK     1      256    234    344     30     61    -34      CL  
-HETATM    4  N1  UNK     1       8.988   3.538   9.450  1.00  1.52           N  
-ANISOU    4  N1  UNK     1      173    181    225    -10     -4    -13       N  
-HETATM    5  N2  UNK     1       7.565   1.076   9.990  1.00  1.66           N  
-ANISOU    5  N2  UNK     1      215    172    243    -27     -5      2       N  
-HETATM    6  N3  UNK     1       9.098   0.719  12.440  1.00  1.66           N  
-ANISOU    6  N3  UNK     1      208    186    238    -17     11     -1       N  
-HETATM    7  N4  UNK     1      10.582   3.144  11.852  1.00  1.48           N  
-ANISOU    7  N4  UNK     1      203    159    201     -2    -14    -15       N  
-HETATM    8  O1  UNK     1       3.555   3.508   3.792  1.00  2.48           O  
-ANISOU    8  O1  UNK     1      342    335    266     22   -123    -42       O  
-HETATM    9  O2  UNK     1       5.524  -6.166  11.814  1.00  4.30           O  
-ANISOU    9  O2  UNK     1      620    163    850    -93   -140     -4       O  
-HETATM   10  O3  UNK     1      13.289   1.450  18.978  1.00  4.03           O  
-ANISOU   10  O3  UNK     1      476    730    326   -251   -177    204       O  
-HETATM   11  O4  UNK     1       8.900  10.297  11.249  1.00  2.81           O  
-ANISOU   11  O4  UNK     1      448    228    393     96     21     10       O  
-HETATM   12  C1  UNK     1       9.846   4.538   9.253  1.00  1.61           C  
-ANISOU   12  C1  UNK     1      208    176    226     -6      2      9       C  
-HETATM   13  C2  UNK     1       9.645   5.163   7.973  1.00  1.91           C  
-ANISOU   13  C2  UNK     1      249    241    237    -44      7     39       C  
-HETATM   14  H2  UNK     1      10.144   5.886   7.611  1.00  2.29           H  
-HETATM   15  C3  UNK     1       8.611   4.524   7.383  1.00  1.78           C  
-ANISOU   15  C3  UNK     1      214    248    214     -4     -2     33       C  
-HETATM   16  H3  UNK     1       8.245   4.713   6.529  1.00  2.13           H  
-HETATM   17  C4  UNK     1       8.165   3.490   8.304  1.00  1.57           C  
-ANISOU   17  C4  UNK     1      198    191    206     -2    -21      1       C  
-HETATM   18  C5  UNK     1       7.107   2.637   8.125  1.00  1.56           C  
-ANISOU   18  C5  UNK     1      203    184    206     32      1    -33       C  
-HETATM   19  C6  UNK     1       6.763   1.542   8.991  1.00  1.69           C  
-ANISOU   19  C6  UNK     1      181    212    251    -11    -14    -33       C  
-HETATM   20  C7  UNK     1       5.587   0.733   8.878  1.00  2.03           C  
-ANISOU   20  C7  UNK     1      204    258    308    -30     10    -26       C  
-HETATM   21  H7  UNK     1       4.856   0.868   8.286  1.00  2.45           H  
-HETATM   22  C8  UNK     1       5.725  -0.270   9.793  1.00  2.00           C  
-ANISOU   22  C8  UNK     1      225    251    283    -35      9      9       C  
-HETATM   23  H8  UNK     1       5.119  -0.985   9.945  1.00  2.37           H  
-HETATM   24  C9  UNK     1       6.944  -0.043  10.471  1.00  1.70           C  
-ANISOU   24  C9  UNK     1      203    191    252    -30     13    -18       C  
-HETATM   25  C10 UNK     1       7.436  -0.863  11.537  1.00  1.78           C  
-ANISOU   25  C10 UNK     1      215    191    272    -16     17     15       C  
-HETATM   26  C11 UNK     1       8.436  -0.499  12.438  1.00  1.86           C  
-ANISOU   26  C11 UNK     1      266    160    281    -17      3     30       C  
-HETATM   27  C12 UNK     1       8.900  -1.286  13.527  1.00  2.50           C  
-ANISOU   27  C12 UNK     1      380    229    340    -70   -103     85       C  
-HETATM   28  H12 UNK     1       8.626  -2.172  13.736  1.00  3.00           H  
-HETATM   29  C13 UNK     1       9.806  -0.548  14.214  1.00  2.36           C  
-ANISOU   29  C13 UNK     1      330    227    340    -15    -47     68       C  
-HETATM   30  H13 UNK     1      10.266  -0.796  15.007  1.00  2.84           H  
-HETATM   31  C14 UNK     1       9.925   0.683  13.495  1.00  1.78           C  
-ANISOU   31  C14 UNK     1      218    209    250    -11      6     34       C  
-HETATM   32  C15 UNK     1      10.854   1.732  13.866  1.00  1.61           C  
-ANISOU   32  C15 UNK     1      153    198    260     15     22     -1       C  
-HETATM   33  C16 UNK     1      11.143   2.843  13.111  1.00  1.54           C  
-ANISOU   33  C16 UNK     1      185    206    194      0    -34    -22       C  
-HETATM   34  C17 UNK     1      12.015   3.926  13.513  1.00  1.64           C  
-ANISOU   34  C17 UNK     1      168    229    225     -8    -15     -4       C  
-HETATM   35  H17 UNK     1      12.518   3.980  14.317  1.00  1.97           H  
-HETATM   36  C18 UNK     1      11.974   4.842  12.527  1.00  1.78           C  
-ANISOU   36  C18 UNK     1      211    228    237    -50    -31    -26       C  
-HETATM   37  H18 UNK     1      12.442   5.668  12.496  1.00  2.13           H  
-HETATM   38  C19 UNK     1      11.068   4.310  11.517  1.00  1.55           C  
-ANISOU   38  C19 UNK     1      163    233    192    -12    -19     -8       C  
-HETATM   39  C20 UNK     1      10.877   5.048  10.213  1.00  1.55           C  
-ANISOU   39  C20 UNK     1      175    193    222    -23     -3     16       C  
-HETATM   40  C21 UNK     1       6.214   2.865   6.945  1.00  1.57           C  
-ANISOU   40  C21 UNK     1      171    217    210     -7    -15    -20       C  
-HETATM   41  C22 UNK     1       5.681   4.136   6.651  1.00  1.79           C  
-ANISOU   41  C22 UNK     1      221    198    261    -16      4    -44       C  
-HETATM   42  H22 UNK     1       5.926   4.881   7.188  1.00  2.13           H  
-HETATM   43  C23 UNK     1       4.814   4.317   5.600  1.00  1.88           C  
-ANISOU   43  C23 UNK     1      250    228    238     34    -44     16       C  
-HETATM   44  H23 UNK     1       4.463   5.182   5.421  1.00  2.29           H  
-HETATM   45  C24 UNK     1       4.445   3.236   4.792  1.00  1.93           C  
-ANISOU   45  C24 UNK     1      227    272    236    -21     -5    -22       C  
-HETATM   46  C25 UNK     1       4.968   1.975   5.061  1.00  1.97           C  
-ANISOU   46  C25 UNK     1      253    238    258    -41    -10    -76       C  
-HETATM   47  H25 UNK     1       4.723   1.230   4.524  1.00  2.37           H  
-HETATM   48  C26 UNK     1       5.844   1.811   6.111  1.00  1.90           C  
-ANISOU   48  C26 UNK     1      238    225    259    -15     -4    -20       C  
-HETATM   49  H26 UNK     1       6.208   0.949   6.274  1.00  2.29           H  
-HETATM   50  C27 UNK     1       3.182   2.426   2.929  1.00  2.90           C  
-ANISOU   50  C27 UNK     1      370    410    320    -65   -157    -76       C  
-HETATM   51 H27A UNK     1       3.966   2.129   2.419  1.00  4.34           H  
-HETATM   52 H27B UNK     1       2.485   2.725   2.310  1.00  4.34           H  
-HETATM   53 H27C UNK     1       2.842   1.680   3.468  1.00  4.34           H  
-HETATM   54  C28 UNK     1       6.839  -2.213  11.645  1.00  1.97           C  
-ANISOU   54  C28 UNK     1      239    181    327    -31     -4    -18       C  
-HETATM   55  C29 UNK     1       6.246  -2.694  12.823  1.00  2.14           C  
-ANISOU   55  C29 UNK     1      257    216    342    -13      7     17       C  
-HETATM   56  H29 UNK     1       6.165  -2.118  13.573  1.00  2.61           H  
-HETATM   57  C30 UNK     1       5.778  -3.992  12.907  1.00  2.59           C  
-ANISOU   57  C30 UNK     1      282    241    460    -22    -16     79       C  
-HETATM   58  H30 UNK     1       5.361  -4.297  13.705  1.00  3.08           H  
-HETATM   59  C31 UNK     1       5.916  -4.846  11.832  1.00  3.03           C  
-ANISOU   59  C31 UNK     1      360    170    620    -37    -70     -4       C  
-HETATM   60  C32 UNK     1       6.502  -4.395  10.646  1.00  3.59           C  
-ANISOU   60  C32 UNK     1      710    215    440      0      0    -37       C  
-HETATM   61  H32 UNK     1       6.616  -4.987   9.912  1.00  4.26           H  
-HETATM   62  C33 UNK     1       6.917  -3.074  10.556  1.00  2.82           C  
-ANISOU   62  C33 UNK     1      460    241    370     10     40    -22       C  
-HETATM   63  H33 UNK     1       7.262  -2.752   9.732  1.00  3.40           H  
-HETATM   64  C34 UNK     1       5.010  -6.711  13.016  1.00  4.66           C  
-ANISOU   64  C34 UNK     1      420    220   1130   -100    -40    170       C  
-HETATM   65 H34A UNK     1       5.722  -6.752  13.686  1.00  6.95           H  
-HETATM   66 H34B UNK     1       4.672  -7.616  12.845  1.00  6.95           H  
-HETATM   67 H34C UNK     1       4.279  -6.148  13.346  1.00  6.95           H  
-HETATM   68  C35 UNK     1      11.522   1.621  15.205  1.00  1.67           C  
-ANISOU   68  C35 UNK     1      229    192    215    -26     -2     12       C  
-HETATM   69  C36 UNK     1      10.785   1.719  16.389  1.00  2.01           C  
-ANISOU   69  C36 UNK     1      267    201    294      2      2     19       C  
-HETATM   70  H36 UNK     1       9.841   1.821  16.349  1.00  2.37           H  
-HETATM   71  C37 UNK     1      11.412   1.668  17.614  1.00  2.33           C  
-ANISOU   71  C37 UNK     1      410    253    221    -36      0     36       C  
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-ANISOU   83  C43 UNK     1      200    225    267    -30      7     35       C  
-HETATM   84  H43 UNK     1       9.196   5.921  12.047  1.00  2.21           H  
-HETATM   85  C44 UNK     1       8.950   7.930  11.824  1.00  2.11           C  
-ANISOU   85  C44 UNK     1      277    245    279      8     -8     -2       C  
-HETATM   86  H44 UNK     1       8.301   8.038  12.510  1.00  2.53           H  
-HETATM   87  C45 UNK     1       9.385   9.022  11.081  1.00  2.06           C  
-ANISOU   87  C45 UNK     1      283    216    283     26    -66      8       C  
-HETATM   88  C46 UNK     1      10.354   8.858  10.102  1.00  2.03           C  
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-HETATM   90  C47 UNK     1      10.869   7.610   9.830  1.00  1.90           C  
-ANISOU   90  C47 UNK     1      231    239    251    -48    -27     26       C  
-HETATM   91  H47 UNK     1      11.526   7.512   9.151  1.00  2.29           H  
-HETATM   92  C48 UNK     1       7.732  10.422  12.052  1.00  4.37           C  
-ANISOU   92  C48 UNK     1      760    380    520    300    230    120       C  
-HETATM   93 H48A UNK     1       7.125   9.675  11.865  1.00  6.55           H  
-HETATM   94 H48B UNK     1       7.284  11.268  11.846  1.00  6.55           H  
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-ANISOU  100  C51 UNK     1      193    370    314     -4     10     16       C  
-HETATM  101  H51 UNK     1      15.267   5.290   8.671  1.00  2.76           H  
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-ANISOU  102  C52 UNK     1      251    307    350     -7     47    -25       C  
-HETATM  103  H52 UNK     1      14.318   3.080   8.034  1.00  2.84           H  
-HETATM  104 Cl12 UNK     1       8.866  13.132  13.376  1.00  6.57          CL  
-ANISOU  104 Cl12 UNK     1      636    947    915    -37    -42    -90      CL  
-HETATM  105 Cl11 UNK     1       8.147  14.813  15.647  1.00  7.80          CL  
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-HETATM  106 C101 UNK     1       9.474  14.124  14.704  0.71  5.16           C  
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-HETATM  127 Cl31 UNK     1       4.496   9.716  18.848  0.29  8.42          CL  
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-CONECT    1   96
-CONECT    2    3    4    5    6
-CONECT    2    7
-CONECT    3    2
-CONECT    4    2   12   17
-CONECT    5    2   19   24
-CONECT    6    2   26   31
-CONECT    7    2   33   38
-CONECT    8   45   50
-CONECT    9   59   64
-CONECT   10   73   78
-CONECT   11   87   92
-CONECT   12    4   13   39
-CONECT   13   12   14   15
-CONECT   14   13
-CONECT   15   13   16   17
-CONECT   16   15
-CONECT   17    4   15   18
-CONECT   18   17   19   40
-CONECT   19    5   18   20
-CONECT   20   19   21   22
-CONECT   21   20
-CONECT   22   20   23   24
-CONECT   23   22
-CONECT   24    5   22   25
-CONECT   25   24   26   54
-CONECT   26    6   25   27
-CONECT   27   26   28   29
-CONECT   28   27
-CONECT   29   27   30   31
-CONECT   30   29
-CONECT   31    6   29   32
-CONECT   32   31   33   68
-CONECT   33    7   32   34
-CONECT   34   33   35   36
-CONECT   35   34
-CONECT   36   34   37   38
-CONECT   37   36
-CONECT   38    7   36   39
-CONECT   39   12   38   82   97
-CONECT   40   18   41   48
-CONECT   41   40   42   43
-CONECT   42   41
-CONECT   43   41   44   45
-CONECT   44   43
-CONECT   45    8   43   46
-CONECT   46   45   47   48
-CONECT   47   46
-CONECT   48   40   46   49
-CONECT   49   48
-CONECT   50    8   51   52   53
-CONECT   51   50
-CONECT   52   50
-CONECT   53   50
-CONECT   54   25   55   62
-CONECT   55   54   56   57
-CONECT   56   55
-CONECT   57   55   58   59
-CONECT   58   57
-CONECT   59    9   57   60
-CONECT   60   59   61   62
-CONECT   61   60
-CONECT   62   54   60   63
-CONECT   63   62
-CONECT   64    9   65   66   67
-CONECT   65   64
-CONECT   66   64
-CONECT   67   64
-CONECT   68   32   69   76
-CONECT   69   68   70   71
-CONECT   70   69
-CONECT   71   69   72   73
-CONECT   72   71
-CONECT   73   10   71   74
-CONECT   74   73   75   76
-CONECT   75   74
-CONECT   76   68   74   77
-CONECT   77   76
-CONECT   78   10   79   80   81
-CONECT   79   78
-CONECT   80   78
-CONECT   81   78
-CONECT   82   39   83   90
-CONECT   83   82   84   85
-CONECT   84   83
-CONECT   85   83   86   87
-CONECT   86   85
-CONECT   87   11   85   88
-CONECT   88   87   89   90
-CONECT   89   88
-CONECT   90   82   88   91
-CONECT   91   90
-CONECT   92   11   93   94   95
-CONECT   93   92
-CONECT   94   92
-CONECT   95   92
-CONECT   96    1   97  102
-CONECT   97   39   96   98
-CONECT   98   97   99  100
-CONECT   99   98
-CONECT  100   98  101  102
-CONECT  101  100
-CONECT  102   96  100  103
-CONECT  103  102
-CONECT  104  106
-CONECT  105  106
-CONECT  106  104  105  107  108
-CONECT  107  106
-CONECT  108  106
-CONECT  109  110  111  112  119
-CONECT  110  109
-CONECT  111  109
-CONECT  112  109  113  114  115
-CONECT  113  112
-CONECT  114  112
-CONECT  115  112
-CONECT  116  117  118  119  122
-CONECT  117  116
-CONECT  118  116
-CONECT  119  109  116  120  121
-CONECT  120  119
-CONECT  121  119
-CONECT  122  116  123  124  125
-CONECT  123  122
-CONECT  124  122
-CONECT  125  122
-MASTER        0    0    0    0    0    0    0    3  130    0  126    0
-END
diff --git a/Tests/ChemSharp.Tests/files/porphin.cdxml b/Tests/ChemSharp.Tests/files/porphin.cdxml
deleted file mode 100644
index 23b954c..0000000
--- a/Tests/ChemSharp.Tests/files/porphin.cdxml
+++ /dev/null
@@ -1,499 +0,0 @@
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diff --git a/Tests/ChemSharp.Tests/files/ptcor.mol2 b/Tests/ChemSharp.Tests/files/ptcor.mol2
deleted file mode 100644
index 192751f..0000000
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-@<TRIPOS>MOLECULE
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-    13 C6      11.3784   5.0433   4.3755   C.2       1 RES1   0.0000
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-    63 C38     16.2002   0.7952   5.5448   C.3       1 RES1   0.0000
-    64 H38A    15.9727  -0.1261   5.3019   H         1 RES1   0.0000
-    65 H38B    16.5912   0.8102   6.4439   H         1 RES1   0.0000
-    66 H38C    16.8461   1.1532   4.9014   H         1 RES1   0.0000
-    67 C39     11.8689  10.8491  -1.9676   C.3       1 RES1   0.0000
-    68 H39A    11.8956  11.7955  -1.7147   H         1 RES1   0.0000
-    69 H39B    11.2724  10.7339  -2.7371   H         1 RES1   0.0000
-    70 H39C    12.7709  10.5491  -2.2060   H         1 RES1   0.0000
-    71 C40      1.1155  11.1180   5.3871   C.3       1 RES1   0.0000
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-    73 H40B     0.2965  10.5803   5.4198   H         1 RES1   0.0000
-    74 H40C     1.1337  11.6332   4.5533   H         1 RES1   0.0000
-    75 C41      9.6191   7.4501   6.4785   C.3       1 RES1   0.0000
-    76 C42     10.9235   7.2813   6.9469   C.2       1 RES1   0.0000
-    77 H42A    11.4304   6.5342   6.6542   H         1 RES1   0.0000
-    78 C43     11.4943   8.1898   7.8356   C.2       1 RES1   0.0000
-    79 H43A    12.3839   8.0560   8.1405   H         1 RES1   0.0000
-    80 C44     10.7678   9.2970   8.2808   C.2       1 RES1   0.0000
-    81 C45      9.4565   9.4630   7.8509   C.2       1 RES1   0.0000
-    82 H45A     8.9442  10.1991   8.1641   H         1 RES1   0.0000
-    83 C46      8.8930   8.5499   6.9610   C.2       1 RES1   0.0000
-    84 H46A     7.9964   8.6761   6.6741   H         1 RES1   0.0000
-    85 C47     11.3903  10.3239   9.1193   C.3       1 RES1   0.0000
-    86 C48      7.7535   4.6084   3.9338   C.3       1 RES1   0.0000
-    87 C49      8.3814   3.4182   3.5571   C.2       1 RES1   0.0000
-    88 H49A     9.2836   3.2655   3.8138   H         1 RES1   0.0000
-    89 C50      7.7114   2.4507   2.8147   C.2       1 RES1   0.0000
-    90 H50A     8.1631   1.6510   2.5721   H         1 RES1   0.0000
-    91 C51      6.3954   2.6343   2.4213   C.2       1 RES1   0.0000
-    92 C52      5.7600   3.8062   2.7949   C.2       1 RES1   0.0000
-    93 H52A     4.8554   3.9510   2.5413   H         1 RES1   0.0000
-    94 C53      6.4276   4.7771   3.5361   C.2       1 RES1   0.0000
-    95 H53A     5.9697   5.5735   3.7775   H         1 RES1   0.0000
-    96 C54      5.6582   1.6024   1.6350   C.3       1 RES1   0.0000
-    97 C1H      8.6025   3.3483  -0.5365   C.3       2 RES2   0.0000
-    98 H1HA     9.5523   3.2141  -0.3299   H         2 RES2   0.0000
-    99 H1HB     8.4680   3.2970  -1.5063   H         2 RES2   0.0000
-   100 H1HC     8.0714   2.6511  -0.0961   H         2 RES2   0.0000
-   101 C2H      8.1714   4.6891  -0.0417   C.3       2 RES2   0.0000
-   102 H2HA     8.7279   5.3818  -0.4803   H         2 RES2   0.0000
-   103 H2HB     8.3438   4.7393   0.9317   H         2 RES2   0.0000
-   104 C3H      6.7087   5.0111  -0.2936   C.3       2 RES2   0.0000
-   105 H3HA     6.1531   4.2869   0.0924   H         2 RES2   0.0000
-   106 H3HB     6.5496   5.0233  -1.2707   H         2 RES2   0.0000
-   107 C1H      4.3569   8.0069   0.5365   C.3       2 RES2   0.0000
-   108 H1HA     3.4070   8.1411   0.3299   H         2 RES2   0.0000
-   109 H1HB     4.4914   8.0582   1.5063   H         2 RES2   0.0000
-   110 H1HC     4.8880   8.7041   0.0961   H         2 RES2   0.0000
-   111 C2H      4.7880   6.6662   0.0417   C.3       2 RES2   0.0000
-   112 H2HA     4.2315   5.9734   0.4803   H         2 RES2   0.0000
-   113 H2HB     4.6156   6.6160  -0.9317   H         2 RES2   0.0000
-   114 C3H      6.2506   6.3441   0.2936   C.3       2 RES2   0.0000
-   115 H3HA     6.8062   7.0683  -0.0924   H         2 RES2   0.0000
-   116 H3HB     6.4097   6.3320   1.2707   H         2 RES2   0.0000
-   117 Cl1      8.3570   5.5404   0.2356   Cl        3 RES3   0.0000
-   118 Cl2      8.9149   2.8792  -0.6942   Cl        3 RES3   0.0000
-   119 C1S      7.7318   4.1623  -0.6235   C.3       3 RES3   0.0000
-   120 H1SA     7.4836   4.4320  -1.5425   H         3 RES3   0.0000
-   121 H1SB     6.9161   3.8332  -0.1704   H         3 RES3   0.0000
-   122 N5      11.8721  11.1908   9.5906   N.3       3 RES3   0.0000
-   123 H47A    10.7308  11.0176   9.3314   H         3 RES3   0.0000
-   124 H47B    12.1435  10.7264   8.6372   H         3 RES3   0.0000
-   125 H47C    11.7137   9.9166   9.9495   H         3 RES3   0.0000
-   126 N6       5.3044   0.8835   0.9589   N.3       3 RES3   0.0000
-   127 H54A     4.7468   1.9176   1.4555   H         3 RES3   0.0000
-   128 H54B     5.6213   0.7678   2.1462   H         3 RES3   0.0000
-   129 H54C     6.1216   1.4463   0.7849   H         3 RES3   0.0000
-@<TRIPOS>BOND
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-@<TRIPOS>CRYSIN
-   10.4746   11.6239   18.2464   87.7520   83.4820   77.6570     2     1
diff --git a/Tests/ChemSharp.Tests/files/tep.mol b/Tests/ChemSharp.Tests/files/tep.mol
deleted file mode 100644
index d7a83ba..0000000
--- a/Tests/ChemSharp.Tests/files/tep.mol
+++ /dev/null
@@ -1,101 +0,0 @@
-
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diff --git a/Tests/ChemSharp.Tests/files/tep.mol2 b/Tests/ChemSharp.Tests/files/tep.mol2
deleted file mode 100644
index 09db0cf..0000000
--- a/Tests/ChemSharp.Tests/files/tep.mol2
+++ /dev/null
@@ -1,104 +0,0 @@
-@<TRIPOS>MOLECULE
-*****
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diff --git a/Tests/ChemSharp.Tests/files/uvvis.csv b/Tests/ChemSharp.Tests/files/uvvis.csv
deleted file mode 100644
index dcb7c17..0000000
--- a/Tests/ChemSharp.Tests/files/uvvis.csv
+++ /dev/null
@@ -1,904 +0,0 @@
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diff --git a/Tests/ChemSharp.Tests/files/uvvis.dsw b/Tests/ChemSharp.Tests/files/uvvis.dsw
deleted file mode 100644
index 648862d..0000000
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