From 85bef9a44d41762be5805668a1c9bdcc09c2867c Mon Sep 17 00:00:00 2001
From: Navan Chauhan <navanchauhan@gmail.com>
Date: Mon, 6 Jul 2020 15:06:48 +0530
Subject: added visualisation module
---
app/templates/visualise.html | 1322 ++++++++++++++++++++++++++++++++++++++++++
app/views.py | 5 +
2 files changed, 1327 insertions(+)
create mode 100644 app/templates/visualise.html
diff --git a/app/templates/visualise.html b/app/templates/visualise.html
new file mode 100644
index 0000000..67c3a1c
--- /dev/null
+++ b/app/templates/visualise.html
@@ -0,0 +1,1322 @@
+{% extends 'base.html' %}
+
+{% block main %}
+ <h1>Curie Visualise</h1>
+ <p>placeholder uwu</p>
+ <script src="https://cdnjs.cloudflare.com/ajax/libs/3Dmol/1.5.0/3Dmol-min.js"></script>
+ <div id="container-01" class="mol-container"></div>
+
+ <style>
+ .mol-container {
+ width: 100%;
+ height: 400px;
+ position: relative;
+ }
+ </style>
+ <script>
+ var viewer = null;
+ var labels = [];
+
+ var addLabels = function() {
+ var atoms = viewer.getModel().selectedAtoms({
+ atom : "CA"
+ });
+ for ( var a in atoms) {
+ var atom = atoms[a];
+
+ var l = viewer.addLabel(atom.resn + " " + atom.resi, {
+ inFront : true,
+ fontSize : 12,
+ position : {
+ x : atom.x,
+ y : atom.y,
+ z : atom.z
+ }
+ });
+ atom.label = l;
+ labels.push(atom);
+ }
+ };
+
+ var colorSS = function(viewer) {
+ //color by secondary structure
+ var m = viewer.getModel();
+ m.setColorByFunction({}, function(atom) {
+ if(atom.ss == 'h') return "magenta";
+ else if(atom.ss == 's') return "orange";
+ else return "white";
+ });
+ viewer.render();
+ }
+
+ var atomcallback = function(atom, viewer) {
+ if (atom.clickLabel === undefined
+ || !atom.clickLabel instanceof $3Dmol.Label) {
+ atom.clickLabel = viewer.addLabel(atom.elem + atom.serial, {
+ fontSize : 14,
+ position : {
+ x : atom.x,
+ y : atom.y,
+ z : atom.z
+ },
+ backgroundColor: "black"
+ });
+ atom.clicked = true;
+ }
+
+ //toggle label style
+ else {
+
+ if (atom.clicked) {
+ var newstyle = atom.clickLabel.getStyle();
+ newstyle.backgroundColor = 0x66ccff;
+
+ viewer.setLabelStyle(atom.clickLabel, newstyle);
+ atom.clicked = !atom.clicked;
+ }
+ else {
+ viewer.removeLabel(atom.clickLabel);
+ delete atom.clickLabel;
+ atom.clicked = false;
+ }
+
+ }
+ };
+ var readText = function(input,func) {
+ if(input.files.length > 0) {
+ var file = input.files[0];
+ var reader = new FileReader();
+ reader.onload = function(evt) {
+ func(evt.target.result,file.name);
+ };
+ reader.readAsText(file);
+ $(input).val('');
+ }
+ };
+ $(document).ready(function() {
+
+ moldata = data = $("#moldata_pdb_large").val();
+ viewer = $3Dmol.createViewer("container-01", {
+ defaultcolors : $3Dmol.rasmolElementColors
+ });
+ viewer.setBackgroundColor(0xffffff);
+
+ receptorModel = m = viewer.addModel(data, "pqr");
+
+ atoms = m.selectedAtoms({});
+
+ for ( var i in atoms) {
+ var atom = atoms[i];
+ atom.clickable = true;
+ atom.callback = atomcallback;
+ }
+
+ viewer.mapAtomProperties($3Dmol.applyPartialCharges);
+ viewer.zoomTo();
+ viewer.render();
+
+
+ })
+ </script>
+ <!--<script>
+ let element = $('#container-01');
+ let config = { backgroundColor: 'white' };
+ let viewer = $3Dmol.createViewer( element, config );
+ viewer.addSphere({ center: {x:0, y:0, z:0}, radius: 10.0, color: 'green' });
+ viewer.zoomTo();
+ viewer.render();
+ viewer.zoom(0.8, 2000);
+
+ </script>-->
+ <label for="viewControls">View Controls:</label>
+ <div id="viewControls" class="btn-group" role="group" aria-label="View Controls">
+ <button type="button" class="btn btn-outline-secondary" onclick="viewer.zoomTo();">Recenter</button>
+ <button type="button" class="btn btn-outline-secondary" onclick="viewer.clear();">Clear</button>
+ </div>
+ <br><br>
+ <label for="styleControls">Style Controls:</label>
+ <div id="styleControls" class="btn-group btn-group-toggle" data-toggle="buttons">
+ <label class="btn btn-secondary active">
+ <input type="radio" name="Stick" id="stick" autocomplete="off" onclick="viewer.setStyle({},{stick:{}}); viewer.render();"> Stick
+ </label>
+ <label class="btn btn-secondary">
+ <input type="radio" name="Line" id="line" autocomplete="off" onclick="viewer.setStyle({},{line:{}}); viewer.render();" aria-checked="true" checked>Line
+ </label>
+ <label class="btn btn-secondary">
+ <input type="radio" name="Cross" id="cross" autocomplete="off" onclick="viewer.setStyle({},{cross:{linewidth:2}}); viewer.render();"> Cross
+ </label>
+ <label class="btn btn-secondary">
+ <input type="radio" name="Sphere" id="sphere" autocomplete="off" onclick="viewer.setStyle({},{sphere:{}}); viewer.render();"> Sphere
+ </label>
+ <label class="btn btn-secondary">
+ <input type="radio" name="Cartoon" id="cartoon" autocomplete="off" onclick="viewer.setStyle({hetflag:false},{cartoon:{}}); viewer.render();"> Cartoon
+ </label>
+ </div>
+
+
+ <br><br>
+ <label for="miscControls">Other Controls:</label>
+ <button type="button" class="btn btn-outline-secondary" onclick="addLabels(viewer); viewer.render();">Label Alpha Carbons</button>
+ <button type="button" class="btn btn-outline-secondary" onclick="viewer.removeAllLabels(); viewer.render();">Remove Labels</button>
+ <button type="button" class="btn btn-outline-secondary" onclick="colorSS(viewer);">Color</button>
+ <button type="button" class="btn btn-outline-secondary" onclick="surf1 = viewer.addSurface($3Dmol.SurfaceType.VDW, {}, {hetflag:false,chain:'A'},{hetflag:false,chain:'A'});">Show Primary Surface</button>
+ <button type="button" class="btn btn-outline-secondary" onclick="surf2 = viewer.addSurface($3Dmol.SurfaceType.MS, {map:{prop:'partialCharge',scheme:new $3Dmol.Gradient.RWB(-.6,.6)}, opacity:0.85}, {chain:'B'},{chain:'B'});">Show Secondary Surface</button>
+ <button type="button" class="btn btn-outline-secondary" onclick="viewer.removeAllSurfaces();">Hide Surfaces</button>
+ <br>
+ <input type="file" onchange="readText(this, function(data, name) {viewer.clear(); m= viewer.addModel(data,name); viewer.zoomTo(); viewer.render();} );">
+
+ <div class="input-group mb-3">
+ <div class="input-group-prepend">
+ <span class="input-group-text">Protein</span>
+ </div>
+ <div class="custom-file">
+ <input type="file" class="custom-file-input" id="receptor" onchange="readText(this, function(data, name) {viewer.clear(); m= viewer.addModel(data,name); viewer.zoomTo(); viewer.render();} );">
+ <label class="custom-file-label" for="receptor">Choose file</label>
+ </div>
+ </div>
+
+ <div class="input-group mb-3">
+ <div class="input-group-prepend">
+ <span class="input-group-text">Ligand</span>
+ </div>
+ <div class="custom-file">
+ <input type="file" class="custom-file-input" id="ligand" onchange="readText(this, function(data, name) {lig= viewer.addModel(data,name); viewer.zoomTo(); viewer.render();} );">
+ <label class="custom-file-label" for="ligand">Choose file</label>
+ </div>
+ </div>
+
+ <textarea style="display: none;" id="moldata_pdb_large">
+ HEADER COMPLEX (ONCOGENE PROTEIN/PEPTIDE) 30-SEP-96 1YCR
+ TITLE MDM2 BOUND TO THE TRANSACTIVATION DOMAIN OF P53
+ COMPND MOL_ID: 1;
+ COMPND 2 MOLECULE: MDM2;
+ COMPND 3 CHAIN: A;
+ COMPND 4 FRAGMENT: RESIDUES 17 - 125;
+ COMPND 5 SYNONYM: MDM2;
+ COMPND 6 ENGINEERED: YES;
+ COMPND 7 MOL_ID: 2;
+ COMPND 8 MOLECULE: P53;
+ COMPND 9 CHAIN: B;
+ COMPND 10 FRAGMENT: RESIDUES 15 - 29;
+ COMPND 11 ENGINEERED: YES
+ SOURCE MOL_ID: 1;
+ SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
+ SOURCE 3 ORGANISM_COMMON: HUMAN;
+ SOURCE 4 ORGANISM_TAXID: 9606;
+ SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
+ SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
+ SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PET3D;
+ SOURCE 8 MOL_ID: 2
+ KEYWDS ANTI-ONCOGENE, DNA-BINDING, TRANSCRIPTION REGULATION,
+ KEYWDS 2 NUCLEAR PROTEIN, COMPLEX (ONCOGENE PROTEIN/PEPTIDE),
+ KEYWDS 3 PHOSPHORYLATION, ACTIVATOR
+ EXPDTA X-RAY DIFFRACTION
+ AUTHOR P.H.KUSSIE,N.P.PAVLETICH
+ REVDAT 2 24-FEB-09 1YCR 1 VERSN
+ REVDAT 1 19-NOV-97 1YCR 0
+ JRNL AUTH P.H.KUSSIE,S.GORINA,V.MARECHAL,B.ELENBAAS,J.MOREAU,
+ JRNL AUTH 2 A.J.LEVINE,N.P.PAVLETICH
+ JRNL TITL STRUCTURE OF THE MDM2 ONCOPROTEIN BOUND TO THE P53
+ JRNL TITL 2 TUMOR SUPPRESSOR TRANSACTIVATION DOMAIN.
+ JRNL REF SCIENCE V. 274 948 1996
+ JRNL REFN ISSN 0036-8075
+ JRNL PMID 8875929
+ JRNL DOI 10.1126/SCIENCE.274.5289.948
+ REMARK 1
+ REMARK 2
+ REMARK 2 RESOLUTION. 2.60 ANGSTROMS.
+ REMARK 3
+ REMARK 3 REFINEMENT.
+ REMARK 3 PROGRAM : TNT, X-PLOR 3.1
+ REMARK 3 AUTHORS : TRONRUD,TEN EYCK,MATTHEWS
+ REMARK 3
+ REMARK 3 DATA USED IN REFINEMENT.
+ REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.60
+ REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00
+ REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000
+ REMARK 3 COMPLETENESS FOR RANGE (%) : NULL
+ REMARK 3 NUMBER OF REFLECTIONS : 3293
+ REMARK 3
+ REMARK 3 USING DATA ABOVE SIGMA CUTOFF.
+ REMARK 3 CROSS-VALIDATION METHOD : NULL
+ REMARK 3 FREE R VALUE TEST SET SELECTION : NULL
+ REMARK 3 R VALUE (WORKING + TEST SET) : 0.200
+ REMARK 3 R VALUE (WORKING SET) : 0.200
+ REMARK 3 FREE R VALUE : 0.276
+ REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL
+ REMARK 3 FREE R VALUE TEST SET COUNT : NULL
+ REMARK 3
+ REMARK 3 USING ALL DATA, NO SIGMA CUTOFF.
+ REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL
+ REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL
+ REMARK 3 FREE R VALUE (NO CUTOFF) : NULL
+ REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL
+ REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL
+ REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL
+ REMARK 3
+ REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
+ REMARK 3 PROTEIN ATOMS : 819
+ REMARK 3 NUCLEIC ACID ATOMS : 0
+ REMARK 3 HETEROGEN ATOMS : 0
+ REMARK 3 SOLVENT ATOMS : 0
+ REMARK 3
+ REMARK 3 WILSON B VALUE (FROM FCALC, A**2) : NULL
+ REMARK 3
+ REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. RMS WEIGHT COUNT
+ REMARK 3 BOND LENGTHS (A) : NULL ; NULL ; NULL
+ REMARK 3 BOND ANGLES (DEGREES) : NULL ; NULL ; NULL
+ REMARK 3 TORSION ANGLES (DEGREES) : NULL ; NULL ; NULL
+ REMARK 3 PSEUDOROTATION ANGLES (DEGREES) : NULL ; NULL ; NULL
+ REMARK 3 TRIGONAL CARBON PLANES (A) : NULL ; NULL ; NULL
+ REMARK 3 GENERAL PLANES (A) : NULL ; NULL ; NULL
+ REMARK 3 ISOTROPIC THERMAL FACTORS (A**2) : NULL ; NULL ; NULL
+ REMARK 3 NON-BONDED CONTACTS (A) : NULL ; NULL ; NULL
+ REMARK 3
+ REMARK 3 INCORRECT CHIRAL-CENTERS (COUNT) : NULL
+ REMARK 3
+ REMARK 3 BULK SOLVENT MODELING.
+ REMARK 3 METHOD USED : NULL
+ REMARK 3 KSOL : NULL
+ REMARK 3 BSOL : NULL
+ REMARK 3
+ REMARK 3 RESTRAINT LIBRARIES.
+ REMARK 3 STEREOCHEMISTRY : NULL
+ REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS : NULL
+ REMARK 3
+ REMARK 3 OTHER REFINEMENT REMARKS: NULL
+ REMARK 4
+ REMARK 4 1YCR 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 : 25-JUL-96
+ REMARK 200 TEMPERATURE (KELVIN) : NULL
+ REMARK 200 PH : NULL
+ REMARK 200 NUMBER OF CRYSTALS USED : NULL
+ REMARK 200
+ REMARK 200 SYNCHROTRON (Y/N) : N
+ REMARK 200 RADIATION SOURCE : NULL
+ REMARK 200 BEAMLINE : NULL
+ REMARK 200 X-RAY GENERATOR MODEL : NULL
+ 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 : IMAGE PLATE
+ REMARK 200 DETECTOR MANUFACTURER : RIGAKU
+ REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL
+ REMARK 200 DATA SCALING SOFTWARE : NULL
+ REMARK 200
+ REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 3559
+ REMARK 200 RESOLUTION RANGE HIGH (A) : NULL
+ REMARK 200 RESOLUTION RANGE LOW (A) : NULL
+ REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000
+ REMARK 200
+ REMARK 200 OVERALL.
+ REMARK 200 COMPLETENESS FOR RANGE (%) : 90.0
+ REMARK 200 DATA REDUNDANCY : 4.500
+ REMARK 200 R MERGE (I) : 0.05200
+ 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 3.1
+ REMARK 200 STARTING MODEL: NULL
+ REMARK 200
+ REMARK 200 REMARK: NULL
+ REMARK 280
+ REMARK 280 CRYSTAL
+ REMARK 280 SOLVENT CONTENT, VS (%): 41.03
+ REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.09
+ REMARK 280
+ REMARK 280 CRYSTALLIZATION CONDITIONS: NULL
+ REMARK 290
+ REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
+ REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21
+ REMARK 290
+ REMARK 290 SYMOP SYMMETRY
+ REMARK 290 NNNMMM OPERATOR
+ REMARK 290 1555 X,Y,Z
+ REMARK 290 2555 -X,-Y,Z+1/2
+ REMARK 290 3555 -X,Y,-Z+1/2
+ REMARK 290 4555 X,-Y,-Z
+ REMARK 290 5555 X+1/2,Y+1/2,Z
+ REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2
+ REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2
+ REMARK 290 8555 X+1/2,-Y+1/2,-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 -1.000000 0.000000 0.000000 0.00000
+ REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
+ REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 27.42650
+ REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000
+ REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000
+ REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 27.42650
+ 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 1.000000 0.000000 0.000000 21.70700
+ REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 50.27300
+ REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000
+ REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 21.70700
+ REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 50.27300
+ REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 27.42650
+ REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 21.70700
+ REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 50.27300
+ REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 27.42650
+ REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 21.70700
+ REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 50.27300
+ REMARK 290 SMTRY3 8 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: DIMERIC
+ REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC
+ REMARK 350 SOFTWARE USED: PISA
+ REMARK 350 TOTAL BURIED SURFACE AREA: 1440 ANGSTROM**2
+ REMARK 350 SURFACE AREA OF THE COMPLEX: 5440 ANGSTROM**2
+ REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -12.0 KCAL/MOL
+ REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
+ 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 465
+ REMARK 465 MISSING RESIDUES
+ REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
+ REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
+ REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
+ REMARK 465
+ REMARK 465 M RES C SSSEQI
+ REMARK 465 SER A 17
+ REMARK 465 GLN A 18
+ REMARK 465 ILE A 19
+ REMARK 465 PRO A 20
+ REMARK 465 ALA A 21
+ REMARK 465 SER A 22
+ REMARK 465 GLU A 23
+ REMARK 465 GLN A 24
+ REMARK 465 VAL A 110
+ REMARK 465 ASN A 111
+ REMARK 465 GLN A 112
+ REMARK 465 GLN A 113
+ REMARK 465 GLU A 114
+ REMARK 465 SER A 115
+ REMARK 465 SER A 116
+ REMARK 465 ASP A 117
+ REMARK 465 SER A 118
+ REMARK 465 GLY A 119
+ REMARK 465 THR A 120
+ REMARK 465 SER A 121
+ REMARK 465 VAL A 122
+ REMARK 465 SER A 123
+ REMARK 465 GLU A 124
+ REMARK 465 ASN A 125
+ REMARK 465 SER B 15
+ REMARK 465 GLN B 16
+ 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 ALA A 43 90.74 -69.28
+ REMARK 500 ARG A 65 45.24 28.06
+ REMARK 500 GLN A 71 79.07 -105.81
+ REMARK 500 CYS A 77 18.22 -140.46
+ REMARK 500
+ REMARK 500 REMARK: NULL
+ DBREF 1YCR A 17 125 UNP Q00987 MDM2_HUMAN 17 125
+ DBREF 1YCR B 15 29 UNP P04637 P53_HUMAN 15 29
+ SEQRES 1 A 109 SER GLN ILE PRO ALA SER GLU GLN GLU THR LEU VAL ARG
+ SEQRES 2 A 109 PRO LYS PRO LEU LEU LEU LYS LEU LEU LYS SER VAL GLY
+ SEQRES 3 A 109 ALA GLN LYS ASP THR TYR THR MET LYS GLU VAL LEU PHE
+ SEQRES 4 A 109 TYR LEU GLY GLN TYR ILE MET THR LYS ARG LEU TYR ASP
+ SEQRES 5 A 109 GLU LYS GLN GLN HIS ILE VAL TYR CYS SER ASN ASP LEU
+ SEQRES 6 A 109 LEU GLY ASP LEU PHE GLY VAL PRO SER PHE SER VAL LYS
+ SEQRES 7 A 109 GLU HIS ARG LYS ILE TYR THR MET ILE TYR ARG ASN LEU
+ SEQRES 8 A 109 VAL VAL VAL ASN GLN GLN GLU SER SER ASP SER GLY THR
+ SEQRES 9 A 109 SER VAL SER GLU ASN
+ SEQRES 1 B 15 SER GLN GLU THR PHE SER ASP LEU TRP LYS LEU LEU PRO
+ SEQRES 2 B 15 GLU ASN
+ HELIX 1 1 PRO A 32 VAL A 41 1 10
+ HELIX 2 2 MET A 50 THR A 63 1 14
+ HELIX 3 3 LEU A 81 PHE A 86 1 6
+ HELIX 4 4 HIS A 96 ASN A 106 1 11
+ HELIX 5 5 PHE B 19 LEU B 25 1 7
+ SHEET 1 A 2 ILE A 74 TYR A 76 0
+ SHEET 2 A 2 SER A 90 SER A 92 -1 N PHE A 91 O VAL A 75
+ CRYST1 43.414 100.546 54.853 90.00 90.00 90.00 C 2 2 21 8
+ 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 0.023034 0.000000 0.000000 0.00000
+ SCALE2 0.000000 0.009946 0.000000 0.00000
+ SCALE3 0.000000 0.000000 0.018231 0.00000
+ ATOM 1 N GLU A 25 10.801 -12.147 -5.180 1.00 49.08 N
+ ATOM 2 CA GLU A 25 11.124 -13.382 -4.414 1.00 50.43 C
+ ATOM 3 C GLU A 25 11.769 -12.878 -3.130 1.00 49.75 C
+ ATOM 4 O GLU A 25 11.175 -12.047 -2.441 1.00 49.34 O
+ ATOM 5 CB GLU A 25 12.075 -14.259 -5.228 1.00 53.69 C
+ ATOM 6 CG GLU A 25 11.564 -14.543 -6.638 1.00 57.47 C
+ ATOM 7 CD GLU A 25 12.414 -15.556 -7.397 1.00 61.03 C
+ ATOM 8 OE1 GLU A 25 12.439 -16.745 -6.995 1.00 61.91 O
+ ATOM 9 OE2 GLU A 25 13.043 -15.163 -8.409 1.00 62.06 O
+ ATOM 10 N THR A 25Z 12.965 -13.355 -2.800 1.00 49.81 N
+ ATOM 11 CA THR A 25Z 13.656 -12.864 -1.611 1.00 48.43 C
+ ATOM 12 C THR A 25Z 14.518 -11.718 -2.102 1.00 44.63 C
+ ATOM 13 O THR A 25Z 15.519 -11.956 -2.778 1.00 45.84 O
+ ATOM 14 CB THR A 25Z 14.598 -13.915 -1.009 1.00 49.13 C
+ ATOM 15 OG1 THR A 25Z 15.478 -14.396 -2.032 1.00 49.45 O
+ ATOM 16 CG2 THR A 25Z 13.804 -15.068 -0.397 1.00 49.70 C
+ ATOM 17 N LEU A 27 14.081 -10.486 -1.869 1.00 38.63 N
+ ATOM 18 CA LEU A 27 14.863 -9.337 -2.294 1.00 35.16 C
+ ATOM 19 C LEU A 27 15.877 -8.978 -1.213 1.00 32.59 C
+ ATOM 20 O LEU A 27 15.495 -8.696 -0.082 1.00 30.66 O
+ ATOM 21 CB LEU A 27 13.960 -8.146 -2.616 1.00 32.87 C
+ ATOM 22 CG LEU A 27 13.336 -8.100 -4.010 1.00 29.89 C
+ ATOM 23 CD1 LEU A 27 13.942 -6.978 -4.794 1.00 29.32 C
+ ATOM 24 CD2 LEU A 27 13.546 -9.397 -4.744 1.00 27.86 C
+ ATOM 25 N VAL A 28 17.162 -9.063 -1.553 1.00 30.41 N
+ ATOM 26 CA VAL A 28 18.243 -8.753 -0.623 1.00 26.97 C
+ ATOM 27 C VAL A 28 19.056 -7.585 -1.146 1.00 29.59 C
+ ATOM 28 O VAL A 28 18.977 -7.247 -2.329 1.00 29.91 O
+ ATOM 29 CB VAL A 28 19.188 -9.980 -0.384 1.00 20.37 C
+ ATOM 30 CG1 VAL A 28 18.428 -11.110 0.261 1.00 17.22 C
+ ATOM 31 CG2 VAL A 28 19.819 -10.441 -1.688 1.00 19.17 C
+ ATOM 32 N ARG A 29 19.785 -6.941 -0.241 1.00 33.20 N
+ ATOM 33 CA ARG A 29 20.650 -5.812 -0.577 1.00 37.19 C
+ ATOM 34 C ARG A 29 22.031 -6.257 -0.132 1.00 34.37 C
+ ATOM 35 O ARG A 29 22.238 -6.530 1.050 1.00 35.05 O
+ ATOM 36 CB ARG A 29 20.239 -4.577 0.213 1.00 46.45 C
+ ATOM 37 CG ARG A 29 20.885 -3.295 -0.264 1.00 56.87 C
+ ATOM 38 CD ARG A 29 20.354 -2.071 0.489 1.00 62.95 C
+ ATOM 39 NE ARG A 29 18.892 -1.904 0.445 1.00 67.51 N
+ ATOM 40 CZ ARG A 29 18.168 -1.674 -0.657 1.00 69.80 C
+ ATOM 41 NH1 ARG A 29 18.743 -1.578 -1.853 1.00 70.00 N
+ ATOM 42 NH2 ARG A 29 16.853 -1.509 -0.560 1.00 70.00 N
+ ATOM 43 N PRO A 30 22.976 -6.407 -1.075 1.00 32.61 N
+ ATOM 44 CA PRO A 30 24.328 -6.842 -0.726 1.00 31.66 C
+ ATOM 45 C PRO A 30 25.179 -5.801 0.008 1.00 31.16 C
+ ATOM 46 O PRO A 30 25.136 -4.598 -0.297 1.00 33.84 O
+ ATOM 47 CB PRO A 30 24.915 -7.215 -2.086 1.00 31.15 C
+ ATOM 48 CG PRO A 30 24.291 -6.227 -2.989 1.00 31.13 C
+ ATOM 49 CD PRO A 30 22.853 -6.222 -2.532 1.00 32.34 C
+ ATOM 50 N LYS A 31 25.928 -6.279 0.997 1.00 26.84 N
+ ATOM 51 CA LYS A 31 26.812 -5.440 1.782 1.00 25.65 C
+ ATOM 52 C LYS A 31 27.962 -4.950 0.897 1.00 25.77 C
+ ATOM 53 O LYS A 31 28.271 -5.569 -0.123 1.00 24.89 O
+ ATOM 54 CB LYS A 31 27.298 -6.203 3.022 1.00 27.30 C
+ ATOM 55 CG LYS A 31 26.247 -6.219 4.140 1.00 28.71 C
+ ATOM 56 CD LYS A 31 26.650 -7.040 5.370 1.00 31.15 C
+ ATOM 57 CE LYS A 31 25.543 -6.988 6.439 1.00 31.90 C
+ ATOM 58 NZ LYS A 31 25.561 -8.096 7.463 1.00 32.60 N
+ ATOM 59 N PRO A 32 28.632 -3.852 1.294 1.00 27.32 N
+ ATOM 60 CA PRO A 32 29.752 -3.210 0.585 1.00 28.83 C
+ ATOM 61 C PRO A 32 30.758 -4.109 -0.155 1.00 28.49 C
+ ATOM 62 O PRO A 32 30.962 -3.960 -1.368 1.00 26.97 O
+ ATOM 63 CB PRO A 32 30.415 -2.397 1.693 1.00 30.47 C
+ ATOM 64 CG PRO A 32 29.249 -1.972 2.513 1.00 29.36 C
+ ATOM 65 CD PRO A 32 28.486 -3.257 2.637 1.00 27.44 C
+ ATOM 66 N LEU A 33 31.405 -5.018 0.569 1.00 28.99 N
+ ATOM 67 CA LEU A 33 32.370 -5.908 -0.059 1.00 30.75 C
+ ATOM 68 C LEU A 33 31.709 -6.751 -1.160 1.00 29.16 C
+ ATOM 69 O LEU A 33 32.216 -6.834 -2.292 1.00 28.31 O
+ ATOM 70 CB LEU A 33 33.014 -6.811 1.000 1.00 34.41 C
+ ATOM 71 CG LEU A 33 34.513 -6.663 1.322 1.00 36.11 C
+ ATOM 72 CD1 LEU A 33 34.816 -5.269 1.837 1.00 35.52 C
+ ATOM 73 CD2 LEU A 33 34.923 -7.714 2.356 1.00 36.44 C
+ ATOM 74 N LEU A 34 30.544 -7.316 -0.838 1.00 26.60 N
+ ATOM 75 CA LEU A 34 29.801 -8.160 -1.765 1.00 24.24 C
+ ATOM 76 C LEU A 34 29.264 -7.399 -2.961 1.00 23.47 C
+ ATOM 77 O LEU A 34 29.189 -7.933 -4.068 1.00 24.63 O
+ ATOM 78 CB LEU A 34 28.655 -8.872 -1.044 1.00 23.85 C
+ ATOM 79 CG LEU A 34 27.797 -9.797 -1.918 1.00 22.79 C
+ ATOM 80 CD1 LEU A 34 28.677 -10.890 -2.495 1.00 20.28 C
+ ATOM 81 CD2 LEU A 34 26.620 -10.369 -1.110 1.00 22.38 C
+ ATOM 82 N LEU A 35 28.892 -6.149 -2.747 1.00 22.96 N
+ ATOM 83 CA LEU A 35 28.366 -5.336 -3.833 1.00 23.98 C
+ ATOM 84 C LEU A 35 29.470 -5.044 -4.855 1.00 26.54 C
+ ATOM 85 O LEU A 35 29.231 -5.039 -6.069 1.00 27.25 O
+ ATOM 86 CB LEU A 35 27.784 -4.054 -3.268 1.00 22.75 C
+ ATOM 87 CG LEU A 35 26.684 -3.377 -4.074 1.00 23.66 C
+ ATOM 88 CD1 LEU A 35 27.195 -2.000 -4.438 1.00 26.56 C
+ ATOM 89 CD2 LEU A 35 26.257 -4.189 -5.304 1.00 21.58 C
+ ATOM 90 N LYS A 36 30.678 -4.830 -4.340 1.00 28.69 N
+ ATOM 91 CA LYS A 36 31.883 -4.570 -5.132 1.00 31.72 C
+ ATOM 92 C LYS A 36 32.209 -5.825 -5.981 1.00 31.71 C
+ ATOM 93 O LYS A 36 32.513 -5.730 -7.173 1.00 33.69 O
+ ATOM 94 CB LYS A 36 33.029 -4.269 -4.166 1.00 35.41 C
+ ATOM 95 CG LYS A 36 34.359 -4.005 -4.810 1.00 39.49 C
+ ATOM 96 CD LYS A 36 35.454 -4.022 -3.755 1.00 43.89 C
+ ATOM 97 CE LYS A 36 35.130 -3.090 -2.589 1.00 46.95 C
+ ATOM 98 NZ LYS A 36 36.283 -2.868 -1.655 1.00 47.38 N
+ ATOM 99 N LEU A 37 32.162 -6.990 -5.339 1.00 27.34 N
+ ATOM 100 CA LEU A 37 32.387 -8.279 -5.983 1.00 24.68 C
+ ATOM 101 C LEU A 37 31.378 -8.413 -7.125 1.00 25.88 C
+ ATOM 102 O LEU A 37 31.711 -8.866 -8.216 1.00 23.86 O
+ ATOM 103 CB LEU A 37 32.113 -9.371 -4.943 1.00 25.16 C
+ ATOM 104 CG LEU A 37 32.290 -10.884 -5.107 1.00 26.21 C
+ ATOM 105 CD1 LEU A 37 31.802 -11.369 -6.456 1.00 27.27 C
+ ATOM 106 CD2 LEU A 37 33.737 -11.232 -4.901 1.00 26.79 C
+ ATOM 107 N LEU A 38 30.130 -8.030 -6.846 1.00 30.28 N
+ ATOM 108 CA LEU A 38 29.030 -8.111 -7.813 1.00 29.47 C
+ ATOM 109 C LEU A 38 29.248 -7.215 -9.012 1.00 31.49 C
+ ATOM 110 O LEU A 38 29.178 -7.680 -10.151 1.00 31.19 O
+ ATOM 111 CB LEU A 38 27.696 -7.777 -7.134 1.00 24.98 C
+ ATOM 112 CG LEU A 38 26.681 -8.896 -6.865 1.00 20.36 C
+ ATOM 113 CD1 LEU A 38 27.327 -10.238 -6.748 1.00 17.92 C
+ ATOM 114 CD2 LEU A 38 25.941 -8.569 -5.596 1.00 20.85 C
+ ATOM 115 N LYS A 39 29.521 -5.934 -8.756 1.00 33.42 N
+ ATOM 116 CA LYS A 39 29.764 -4.979 -9.833 1.00 34.82 C
+ ATOM 117 C LYS A 39 30.869 -5.531 -10.710 1.00 35.75 C
+ ATOM 118 O LYS A 39 30.754 -5.535 -11.939 1.00 37.32 O
+ ATOM 119 CB LYS A 39 30.171 -3.603 -9.293 1.00 38.06 C
+ ATOM 120 CG LYS A 39 29.133 -2.935 -8.392 1.00 41.92 C
+ ATOM 121 CD LYS A 39 27.729 -3.178 -8.919 1.00 44.44 C
+ ATOM 122 CE LYS A 39 26.630 -2.584 -8.055 1.00 46.35 C
+ ATOM 123 NZ LYS A 39 26.391 -1.133 -8.324 1.00 46.80 N
+ ATOM 124 N SER A 40 31.889 -6.096 -10.069 1.00 36.07 N
+ ATOM 125 CA SER A 40 33.022 -6.663 -10.783 1.00 36.72 C
+ ATOM 126 C SER A 40 32.586 -7.569 -11.941 1.00 37.40 C
+ ATOM 127 O SER A 40 33.299 -7.675 -12.944 1.00 39.94 O
+ ATOM 128 CB SER A 40 33.939 -7.422 -9.816 1.00 37.52 C
+ ATOM 129 OG SER A 40 33.633 -8.802 -9.782 1.00 39.51 O
+ ATOM 130 N VAL A 41 31.416 -8.202 -11.824 1.00 34.16 N
+ ATOM 131 CA VAL A 41 30.957 -9.077 -12.896 1.00 30.18 C
+ ATOM 132 C VAL A 41 29.807 -8.535 -13.711 1.00 29.68 C
+ ATOM 133 O VAL A 41 29.119 -9.299 -14.378 1.00 32.08 O
+ ATOM 134 CB VAL A 41 30.651 -10.512 -12.411 1.00 26.76 C
+ ATOM 135 CG1 VAL A 41 31.934 -11.220 -12.068 1.00 26.46 C
+ ATOM 136 CG2 VAL A 41 29.764 -10.488 -11.204 1.00 25.44 C
+ ATOM 137 N GLY A 42 29.618 -7.220 -13.684 1.00 27.40 N
+ ATOM 138 CA GLY A 42 28.554 -6.605 -14.461 1.00 26.98 C
+ ATOM 139 C GLY A 42 27.242 -6.280 -13.771 1.00 29.87 C
+ ATOM 140 O GLY A 42 26.435 -5.515 -14.299 1.00 31.25 O
+ ATOM 141 N ALA A 43 27.006 -6.857 -12.599 1.00 31.86 N
+ ATOM 142 CA ALA A 43 25.767 -6.605 -11.863 1.00 33.11 C
+ ATOM 143 C ALA A 43 25.743 -5.173 -11.340 1.00 36.97 C
+ ATOM 144 O ALA A 43 26.183 -4.912 -10.224 1.00 37.99 O
+ ATOM 145 CB ALA A 43 25.629 -7.590 -10.709 1.00 31.88 C
+ ATOM 146 N GLN A 44 25.196 -4.258 -12.134 1.00 38.43 N
+ ATOM 147 CA GLN A 44 25.131 -2.841 -11.765 1.00 40.64 C
+ ATOM 148 C GLN A 44 23.950 -2.382 -10.881 1.00 38.73 C
+ ATOM 149 O GLN A 44 23.270 -1.417 -11.218 1.00 39.71 O
+ ATOM 150 CB GLN A 44 25.100 -1.997 -13.038 1.00 44.75 C
+ ATOM 151 CG GLN A 44 26.061 -2.371 -14.123 1.00 47.84 C
+ ATOM 152 CD GLN A 44 25.898 -1.446 -15.308 1.00 52.18 C
+ ATOM 153 OE1 GLN A 44 24.827 -1.385 -15.918 1.00 53.63 O
+ ATOM 154 NE2 GLN A 44 26.945 -0.680 -15.616 1.00 54.69 N
+ ATOM 155 N LYS A 45 23.712 -3.000 -9.735 1.00 36.33 N
+ ATOM 156 CA LYS A 45 22.587 -2.545 -8.939 1.00 35.35 C
+ ATOM 157 C LYS A 45 22.679 -2.802 -7.445 1.00 38.33 C
+ ATOM 158 O LYS A 45 23.568 -3.507 -6.978 1.00 40.86 O
+ ATOM 159 CB LYS A 45 21.277 -3.065 -9.526 1.00 34.15 C
+ ATOM 160 CG LYS A 45 21.215 -4.557 -9.704 1.00 33.47 C
+ ATOM 161 CD LYS A 45 19.840 -4.968 -10.170 1.00 33.07 C
+ ATOM 162 CE LYS A 45 19.581 -6.418 -9.848 1.00 33.29 C
+ ATOM 163 NZ LYS A 45 18.155 -6.740 -10.064 1.00 33.65 N
+ ATOM 164 N ASP A 46 21.731 -2.247 -6.703 1.00 39.51 N
+ ATOM 165 CA ASP A 46 21.717 -2.334 -5.253 1.00 43.18 C
+ ATOM 166 C ASP A 46 20.770 -3.333 -4.628 1.00 39.04 C
+ ATOM 167 O ASP A 46 20.897 -3.623 -3.454 1.00 39.67 O
+ ATOM 168 CB ASP A 46 21.387 -0.944 -4.706 1.00 53.36 C
+ ATOM 169 CG ASP A 46 21.760 -0.766 -3.242 1.00 63.20 C
+ ATOM 170 OD1 ASP A 46 22.354 -1.691 -2.634 1.00 67.17 O
+ ATOM 171 OD2 ASP A 46 21.475 0.336 -2.709 1.00 66.33 O
+ ATOM 172 N THR A 47 19.798 -3.829 -5.379 1.00 37.84 N
+ ATOM 173 CA THR A 47 18.826 -4.769 -4.826 1.00 37.77 C
+ ATOM 174 C THR A 47 18.751 -5.986 -5.729 1.00 33.96 C
+ ATOM 175 O THR A 47 18.709 -5.842 -6.947 1.00 34.85 O
+ ATOM 176 CB THR A 47 17.438 -4.093 -4.678 1.00 41.52 C
+ ATOM 177 OG1 THR A 47 17.606 -2.806 -4.059 1.00 44.57 O
+ ATOM 178 CG2 THR A 47 16.533 -4.918 -3.789 1.00 41.07 C
+ ATOM 179 N TYR A 48 18.757 -7.181 -5.139 1.00 29.39 N
+ ATOM 180 CA TYR A 48 18.751 -8.419 -5.918 1.00 25.54 C
+ ATOM 181 C TYR A 48 17.912 -9.518 -5.303 1.00 23.68 C
+ ATOM 182 O TYR A 48 17.644 -9.512 -4.108 1.00 24.17 O
+ ATOM 183 CB TYR A 48 20.180 -9.004 -5.990 1.00 23.33 C
+ ATOM 184 CG TYR A 48 21.250 -8.109 -6.562 1.00 20.34 C
+ ATOM 185 CD1 TYR A 48 21.808 -7.089 -5.796 1.00 19.97 C
+ ATOM 186 CD2 TYR A 48 21.694 -8.265 -7.875 1.00 19.16 C
+ ATOM 187 CE1 TYR A 48 22.770 -6.248 -6.323 1.00 18.70 C
+ ATOM 188 CE2 TYR A 48 22.656 -7.427 -8.400 1.00 19.06 C
+ ATOM 189 CZ TYR A 48 23.181 -6.424 -7.614 1.00 18.73 C
+ ATOM 190 OH TYR A 48 24.118 -5.576 -8.118 1.00 21.84 O
+ ATOM 191 N THR A 49 17.521 -10.484 -6.117 1.00 21.72 N
+ ATOM 192 CA THR A 49 16.819 -11.630 -5.577 1.00 22.96 C
+ ATOM 193 C THR A 49 17.970 -12.568 -5.189 1.00 23.47 C
+ ATOM 194 O THR A 49 19.105 -12.333 -5.602 1.00 21.98 O
+ ATOM 195 CB THR A 49 15.898 -12.290 -6.628 1.00 24.40 C
+ ATOM 196 OG1 THR A 49 16.624 -12.552 -7.835 1.00 25.85 O
+ ATOM 197 CG2 THR A 49 14.738 -11.367 -6.951 1.00 24.83 C
+ ATOM 198 N MET A 50 17.724 -13.577 -4.359 1.00 26.64 N
+ ATOM 199 CA MET A 50 18.794 -14.502 -3.998 1.00 28.05 C
+ ATOM 200 C MET A 50 19.413 -15.149 -5.246 1.00 28.41 C
+ ATOM 201 O MET A 50 20.624 -15.353 -5.303 1.00 31.46 O
+ ATOM 202 CB MET A 50 18.290 -15.585 -3.043 1.00 29.52 C
+ ATOM 203 CG MET A 50 18.786 -15.430 -1.616 1.00 31.67 C
+ ATOM 204 SD MET A 50 20.561 -15.673 -1.478 1.00 33.21 S
+ ATOM 205 CE MET A 50 20.698 -17.337 -2.115 1.00 33.22 C
+ ATOM 206 N LYS A 51 18.595 -15.443 -6.254 1.00 25.59 N
+ ATOM 207 CA LYS A 51 19.082 -16.054 -7.492 1.00 24.33 C
+ ATOM 208 C LYS A 51 20.123 -15.240 -8.275 1.00 20.13 C
+ ATOM 209 O LYS A 51 21.077 -15.814 -8.783 1.00 20.41 O
+ ATOM 210 CB LYS A 51 17.911 -16.421 -8.405 1.00 26.76 C
+ ATOM 211 CG LYS A 51 17.019 -17.491 -7.844 1.00 29.23 C
+ ATOM 212 CD LYS A 51 15.826 -17.759 -8.757 1.00 32.33 C
+ ATOM 213 CE LYS A 51 14.860 -18.758 -8.123 1.00 35.65 C
+ ATOM 214 NZ LYS A 51 13.726 -19.097 -9.045 1.00 39.61 N
+ ATOM 215 N GLU A 52 19.929 -13.927 -8.396 1.00 18.05 N
+ ATOM 216 CA GLU A 52 20.876 -13.065 -9.111 1.00 17.63 C
+ ATOM 217 C GLU A 52 22.214 -13.071 -8.387 1.00 18.96 C
+ ATOM 218 O GLU A 52 23.271 -13.141 -9.011 1.00 21.98 O
+ ATOM 219 CB GLU A 52 20.379 -11.623 -9.192 1.00 15.17 C
+ ATOM 220 CG GLU A 52 19.197 -11.420 -10.100 1.00 14.49 C
+ ATOM 221 CD GLU A 52 18.761 -9.957 -10.221 1.00 14.76 C
+ ATOM 222 OE1 GLU A 52 18.401 -9.331 -9.195 1.00 14.10 O
+ ATOM 223 OE2 GLU A 52 18.773 -9.430 -11.359 1.00 16.08 O
+ ATOM 224 N VAL A 53 22.162 -12.984 -7.063 1.00 16.80 N
+ ATOM 225 CA VAL A 53 23.367 -12.993 -6.256 1.00 15.61 C
+ ATOM 226 C VAL A 53 24.177 -14.251 -6.596 1.00 19.06 C
+ ATOM 227 O VAL A 53 25.280 -14.165 -7.121 1.00 19.53 O
+ ATOM 228 CB VAL A 53 23.022 -12.909 -4.732 1.00 10.83 C
+ ATOM 229 CG1 VAL A 53 24.221 -13.377 -3.855 1.00 9.30 C
+ ATOM 230 CG2 VAL A 53 22.617 -11.464 -4.356 1.00 6.78 C
+ ATOM 231 N LEU A 54 23.569 -15.414 -6.415 1.00 20.11 N
+ ATOM 232 CA LEU A 54 24.244 -16.672 -6.687 1.00 17.78 C
+ ATOM 233 C LEU A 54 24.751 -16.780 -8.105 1.00 18.36 C
+ ATOM 234 O LEU A 54 25.816 -17.334 -8.323 1.00 23.49 O
+ ATOM 235 CB LEU A 54 23.318 -17.850 -6.420 1.00 16.46 C
+ ATOM 236 CG LEU A 54 22.858 -18.137 -4.996 1.00 14.65 C
+ ATOM 237 CD1 LEU A 54 21.786 -19.217 -5.048 1.00 15.10 C
+ ATOM 238 CD2 LEU A 54 24.023 -18.574 -4.154 1.00 11.49 C
+ ATOM 239 N PHE A 55 23.983 -16.277 -9.065 1.00 15.68 N
+ ATOM 240 CA PHE A 55 24.341 -16.344 -10.489 1.00 12.20 C
+ ATOM 241 C PHE A 55 25.636 -15.630 -10.765 1.00 15.52 C
+ ATOM 242 O PHE A 55 26.546 -16.223 -11.342 1.00 17.40 O
+ ATOM 243 CB PHE A 55 23.223 -15.735 -11.350 1.00 6.10 C
+ ATOM 244 CG PHE A 55 23.615 -15.454 -12.776 1.00 1.58 C
+ ATOM 245 CD1 PHE A 55 23.765 -16.477 -13.688 1.00 1.07 C
+ ATOM 246 CD2 PHE A 55 23.835 -14.171 -13.197 1.00 1.00 C
+ ATOM 247 CE1 PHE A 55 24.135 -16.221 -14.999 1.00 1.00 C
+ ATOM 248 CE2 PHE A 55 24.200 -13.901 -14.497 1.00 1.00 C
+ ATOM 249 CZ PHE A 55 24.351 -14.915 -15.392 1.00 1.77 C
+ ATOM 250 N TYR A 56 25.697 -14.353 -10.376 1.00 18.18 N
+ ATOM 251 CA TYR A 56 26.886 -13.515 -10.570 1.00 21.08 C
+ ATOM 252 C TYR A 56 28.058 -14.009 -9.713 1.00 25.58 C
+ ATOM 253 O TYR A 56 29.203 -14.065 -10.171 1.00 27.28 O
+ ATOM 254 CB TYR A 56 26.588 -12.060 -10.211 1.00 19.30 C
+ ATOM 255 CG TYR A 56 25.665 -11.344 -11.164 1.00 18.72 C
+ ATOM 256 CD1 TYR A 56 26.036 -11.122 -12.493 1.00 19.77 C
+ ATOM 257 CD2 TYR A 56 24.418 -10.890 -10.739 1.00 17.69 C
+ ATOM 258 CE1 TYR A 56 25.187 -10.464 -13.377 1.00 19.76 C
+ ATOM 259 CE2 TYR A 56 23.566 -10.237 -11.602 1.00 18.54 C
+ ATOM 260 CZ TYR A 56 23.948 -10.022 -12.923 1.00 21.12 C
+ ATOM 261 OH TYR A 56 23.089 -9.339 -13.769 1.00 24.19 O
+ ATOM 262 N LEU A 57 27.760 -14.367 -8.468 1.00 25.21 N
+ ATOM 263 CA LEU A 57 28.758 -14.877 -7.542 1.00 21.43 C
+ ATOM 264 C LEU A 57 29.396 -16.144 -8.132 1.00 16.56 C
+ ATOM 265 O LEU A 57 30.583 -16.399 -7.952 1.00 16.93 O
+ ATOM 266 CB LEU A 57 28.097 -15.141 -6.188 1.00 21.93 C
+ ATOM 267 CG LEU A 57 28.991 -15.465 -4.993 1.00 23.25 C
+ ATOM 268 CD1 LEU A 57 30.098 -14.433 -4.883 1.00 24.87 C
+ ATOM 269 CD2 LEU A 57 28.163 -15.504 -3.729 1.00 22.07 C
+ ATOM 270 N GLY A 58 28.606 -16.903 -8.877 1.00 13.03 N
+ ATOM 271 CA GLY A 58 29.093 -18.105 -9.525 1.00 12.30 C
+ ATOM 272 C GLY A 58 29.881 -17.738 -10.769 1.00 15.61 C
+ ATOM 273 O GLY A 58 30.833 -18.418 -11.126 1.00 19.99 O
+ ATOM 274 N GLN A 59 29.489 -16.659 -11.427 1.00 14.86 N
+ ATOM 275 CA GLN A 59 30.166 -16.170 -12.622 1.00 16.02 C
+ ATOM 276 C GLN A 59 31.564 -15.657 -12.285 1.00 17.15 C
+ ATOM 277 O GLN A 59 32.486 -15.736 -13.091 1.00 20.04 O
+ ATOM 278 CB GLN A 59 29.368 -15.021 -13.216 1.00 18.21 C
+ ATOM 279 CG GLN A 59 28.089 -15.453 -13.826 1.00 21.13 C
+ ATOM 280 CD GLN A 59 28.336 -16.409 -14.942 1.00 23.42 C
+ ATOM 281 OE1 GLN A 59 28.794 -16.018 -16.008 1.00 26.16 O
+ ATOM 282 NE2 GLN A 59 28.071 -17.677 -14.700 1.00 24.91 N
+ ATOM 283 N TYR A 60 31.688 -15.061 -11.114 1.00 15.53 N
+ ATOM 284 CA TYR A 60 32.947 -14.515 -10.639 1.00 14.57 C
+ ATOM 285 C TYR A 60 33.933 -15.681 -10.434 1.00 16.46 C
+ ATOM 286 O TYR A 60 35.049 -15.679 -10.946 1.00 18.96 O
+ ATOM 287 CB TYR A 60 32.660 -13.784 -9.333 1.00 14.30 C
+ ATOM 288 CG TYR A 60 33.858 -13.295 -8.591 1.00 15.69 C
+ ATOM 289 CD1 TYR A 60 34.378 -12.026 -8.831 1.00 15.89 C
+ ATOM 290 CD2 TYR A 60 34.444 -14.077 -7.591 1.00 16.18 C
+ ATOM 291 CE1 TYR A 60 35.444 -11.550 -8.088 1.00 15.25 C
+ ATOM 292 CE2 TYR A 60 35.505 -13.607 -6.848 1.00 15.93 C
+ ATOM 293 CZ TYR A 60 35.996 -12.344 -7.101 1.00 16.11 C
+ ATOM 294 OH TYR A 60 37.017 -11.854 -6.336 1.00 18.25 O
+ ATOM 295 N ILE A 61 33.478 -16.702 -9.727 1.00 15.26 N
+ ATOM 296 CA ILE A 61 34.274 -17.877 -9.450 1.00 13.48 C
+ ATOM 297 C ILE A 61 34.684 -18.570 -10.724 1.00 16.31 C
+ ATOM 298 O ILE A 61 35.862 -18.831 -10.943 1.00 18.13 O
+ ATOM 299 CB ILE A 61 33.497 -18.858 -8.544 1.00 12.76 C
+ ATOM 300 CG1 ILE A 61 33.109 -18.151 -7.243 1.00 11.76 C
+ ATOM 301 CG2 ILE A 61 34.337 -20.069 -8.235 1.00 13.49 C
+ ATOM 302 CD1 ILE A 61 32.359 -19.041 -6.269 1.00 13.72 C
+ ATOM 303 N MET A 62 33.721 -18.882 -11.572 1.00 21.25 N
+ ATOM 304 CA MET A 62 34.048 -19.563 -12.815 1.00 26.19 C
+ ATOM 305 C MET A 62 35.038 -18.750 -13.618 1.00 26.57 C
+ ATOM 306 O MET A 62 36.084 -19.245 -14.022 1.00 27.73 O
+ ATOM 307 CB MET A 62 32.801 -19.801 -13.656 1.00 32.22 C
+ ATOM 308 CG MET A 62 32.041 -21.059 -13.299 1.00 40.65 C
+ ATOM 309 SD MET A 62 30.444 -21.159 -14.164 1.00 48.52 S
+ ATOM 310 CE MET A 62 29.206 -21.058 -12.752 1.00 48.60 C
+ ATOM 311 N THR A 63 34.719 -17.482 -13.804 1.00 26.49 N
+ ATOM 312 CA THR A 63 35.548 -16.577 -14.580 1.00 27.67 C
+ ATOM 313 C THR A 63 37.002 -16.428 -14.136 1.00 24.94 C
+ ATOM 314 O THR A 63 37.910 -16.429 -14.972 1.00 26.27 O
+ ATOM 315 CB THR A 63 34.862 -15.234 -14.662 1.00 32.91 C
+ ATOM 316 OG1 THR A 63 33.709 -15.368 -15.505 1.00 36.10 O
+ ATOM 317 CG2 THR A 63 35.789 -14.178 -15.199 1.00 36.18 C
+ ATOM 318 N LYS A 64 37.218 -16.302 -12.829 1.00 20.57 N
+ ATOM 319 CA LYS A 64 38.555 -16.168 -12.265 1.00 16.27 C
+ ATOM 320 C LYS A 64 39.105 -17.538 -11.869 1.00 17.22 C
+ ATOM 321 O LYS A 64 39.920 -17.652 -10.968 1.00 20.18 O
+ ATOM 322 CB LYS A 64 38.495 -15.265 -11.039 1.00 16.24 C
+ ATOM 323 CG LYS A 64 38.056 -13.868 -11.370 1.00 19.29 C
+ ATOM 324 CD LYS A 64 38.081 -12.988 -10.149 1.00 22.86 C
+ ATOM 325 CE LYS A 64 39.487 -12.826 -9.614 1.00 26.64 C
+ ATOM 326 NZ LYS A 64 39.479 -11.939 -8.409 1.00 29.52 N
+ ATOM 327 N ARG A 65 38.631 -18.575 -12.545 1.00 17.49 N
+ ATOM 328 CA ARG A 65 38.997 -19.964 -12.295 1.00 14.49 C
+ ATOM 329 C ARG A 65 39.410 -20.287 -10.874 1.00 14.03 C
+ ATOM 330 O ARG A 65 40.351 -21.044 -10.665 1.00 17.94 O
+ ATOM 331 CB ARG A 65 40.070 -20.431 -13.261 1.00 14.75 C
+ ATOM 332 CG ARG A 65 39.838 -20.028 -14.703 1.00 17.60 C
+ ATOM 333 CD ARG A 65 40.309 -21.126 -15.650 1.00 22.61 C
+ ATOM 334 NE ARG A 65 41.729 -21.456 -15.510 1.00 28.14 N
+ ATOM 335 CZ ARG A 65 42.190 -22.697 -15.392 1.00 34.90 C
+ ATOM 336 NH1 ARG A 65 41.349 -23.723 -15.395 1.00 38.13 N
+ ATOM 337 NH2 ARG A 65 43.493 -22.920 -15.289 1.00 38.07 N
+ ATOM 338 N LEU A 66 38.652 -19.796 -9.898 1.00 10.97 N
+ ATOM 339 CA LEU A 66 38.983 -20.045 -8.498 1.00 9.06 C
+ ATOM 340 C LEU A 66 38.692 -21.446 -7.968 1.00 9.71 C
+ ATOM 341 O LEU A 66 38.925 -21.724 -6.780 1.00 13.68 O
+ ATOM 342 CB LEU A 66 38.297 -19.034 -7.589 1.00 7.18 C
+ ATOM 343 CG LEU A 66 38.524 -17.554 -7.819 1.00 6.89 C
+ ATOM 344 CD1 LEU A 66 37.780 -16.767 -6.748 1.00 5.18 C
+ ATOM 345 CD2 LEU A 66 40.002 -17.272 -7.753 1.00 8.57 C
+ ATOM 346 N TYR A 67 38.179 -22.331 -8.806 1.00 8.57 N
+ ATOM 347 CA TYR A 67 37.861 -23.681 -8.338 1.00 12.51 C
+ ATOM 348 C TYR A 67 39.016 -24.624 -8.635 1.00 16.43 C
+ ATOM 349 O TYR A 67 39.865 -24.328 -9.477 1.00 19.05 O
+ ATOM 350 CB TYR A 67 36.567 -24.197 -8.995 1.00 11.42 C
+ ATOM 351 CG TYR A 67 36.529 -23.987 -10.501 1.00 15.91 C
+ ATOM 352 CD1 TYR A 67 37.095 -24.922 -11.377 1.00 18.44 C
+ ATOM 353 CD2 TYR A 67 35.967 -22.837 -11.052 1.00 17.76 C
+ ATOM 354 CE1 TYR A 67 37.102 -24.717 -12.744 1.00 17.83 C
+ ATOM 355 CE2 TYR A 67 35.975 -22.623 -12.422 1.00 19.57 C
+ ATOM 356 CZ TYR A 67 36.544 -23.567 -13.259 1.00 20.81 C
+ ATOM 357 OH TYR A 67 36.557 -23.357 -14.625 1.00 26.44 O
+ ATOM 358 N ASP A 68 39.070 -25.746 -7.926 1.00 16.73 N
+ ATOM 359 CA ASP A 68 40.119 -26.715 -8.163 1.00 19.56 C
+ ATOM 360 C ASP A 68 39.798 -27.404 -9.468 1.00 24.40 C
+ ATOM 361 O ASP A 68 38.656 -27.763 -9.727 1.00 28.26 O
+ ATOM 362 CB ASP A 68 40.187 -27.747 -7.054 1.00 19.74 C
+ ATOM 363 CG ASP A 68 41.407 -28.627 -7.173 1.00 19.84 C
+ ATOM 364 OD1 ASP A 68 42.476 -28.209 -6.693 1.00 22.77 O
+ ATOM 365 OD2 ASP A 68 41.311 -29.715 -7.763 1.00 19.07 O
+ ATOM 366 N GLU A 69 40.820 -27.662 -10.259 1.00 26.47 N
+ ATOM 367 CA GLU A 69 40.616 -28.281 -11.551 1.00 26.24 C
+ ATOM 368 C GLU A 69 40.161 -29.725 -11.510 1.00 27.23 C
+ ATOM 369 O GLU A 69 39.405 -30.182 -12.373 1.00 26.72 O
+ ATOM 370 CB GLU A 69 41.887 -28.180 -12.355 1.00 27.13 C
+ ATOM 371 CG GLU A 69 41.645 -28.315 -13.830 1.00 29.09 C
+ ATOM 372 CD GLU A 69 41.219 -27.024 -14.466 1.00 30.90 C
+ ATOM 373 OE1 GLU A 69 41.178 -25.975 -13.769 1.00 30.71 O
+ ATOM 374 OE2 GLU A 69 40.941 -27.076 -15.679 1.00 33.03 O
+ ATOM 375 N LYS A 70 40.657 -30.461 -10.529 1.00 30.01 N
+ ATOM 376 CA LYS A 70 40.297 -31.861 -10.402 1.00 34.47 C
+ ATOM 377 C LYS A 70 39.040 -32.074 -9.557 1.00 34.65 C
+ ATOM 378 O LYS A 70 38.120 -32.769 -9.971 1.00 38.08 O
+ ATOM 379 CB LYS A 70 41.490 -32.678 -9.875 1.00 40.08 C
+ ATOM 380 CG LYS A 70 42.609 -32.959 -10.934 1.00 45.97 C
+ ATOM 381 CD LYS A 70 43.362 -31.687 -11.431 1.00 50.20 C
+ ATOM 382 CE LYS A 70 44.171 -30.995 -10.309 1.00 53.12 C
+ ATOM 383 NZ LYS A 70 44.770 -29.677 -10.699 1.00 54.32 N
+ ATOM 384 N GLN A 71 39.005 -31.485 -8.371 1.00 30.70 N
+ ATOM 385 CA GLN A 71 37.857 -31.604 -7.484 1.00 27.30 C
+ ATOM 386 C GLN A 71 37.161 -30.259 -7.563 1.00 21.02 C
+ ATOM 387 O GLN A 71 37.289 -29.436 -6.666 1.00 18.60 O
+ ATOM 388 CB GLN A 71 38.352 -31.883 -6.068 1.00 32.17 C
+ ATOM 389 CG GLN A 71 38.983 -33.246 -5.920 1.00 37.01 C
+ ATOM 390 CD GLN A 71 37.950 -34.357 -5.964 1.00 43.82 C
+ ATOM 391 OE1 GLN A 71 37.068 -34.430 -5.110 1.00 47.96 O
+ ATOM 392 NE2 GLN A 71 38.040 -35.215 -6.968 1.00 44.79 N
+ ATOM 393 N GLN A 72 36.399 -30.056 -8.633 1.00 20.30 N
+ ATOM 394 CA GLN A 72 35.719 -28.784 -8.896 1.00 16.73 C
+ ATOM 395 C GLN A 72 34.859 -28.192 -7.812 1.00 15.22 C
+ ATOM 396 O GLN A 72 34.446 -27.045 -7.919 1.00 17.63 O
+ ATOM 397 CB GLN A 72 34.930 -28.851 -10.190 1.00 16.67 C
+ ATOM 398 CG GLN A 72 35.723 -29.443 -11.328 1.00 19.27 C
+ ATOM 399 CD GLN A 72 35.798 -28.544 -12.540 1.00 22.33 C
+ ATOM 400 OE1 GLN A 72 34.920 -27.711 -12.792 1.00 22.68 O
+ ATOM 401 NE2 GLN A 72 36.844 -28.726 -13.323 1.00 25.00 N
+ ATOM 402 N HIS A 73 34.592 -28.958 -6.763 1.00 14.02 N
+ ATOM 403 CA HIS A 73 33.791 -28.456 -5.652 1.00 13.96 C
+ ATOM 404 C HIS A 73 34.620 -27.629 -4.661 1.00 15.64 C
+ ATOM 405 O HIS A 73 34.056 -27.010 -3.742 1.00 17.41 O
+ ATOM 406 CB HIS A 73 33.074 -29.604 -4.931 1.00 14.80 C
+ ATOM 407 CG HIS A 73 33.991 -30.572 -4.261 1.00 16.64 C
+ ATOM 408 ND1 HIS A 73 34.318 -30.488 -2.924 1.00 18.85 N
+ ATOM 409 CD2 HIS A 73 34.639 -31.664 -4.736 1.00 15.41 C
+ ATOM 410 CE1 HIS A 73 35.124 -31.485 -2.604 1.00 16.68 C
+ ATOM 411 NE2 HIS A 73 35.335 -32.212 -3.686 1.00 15.48 N
+ ATOM 412 N ILE A 74 35.950 -27.646 -4.831 1.00 12.87 N
+ ATOM 413 CA ILE A 74 36.865 -26.894 -3.970 1.00 9.08 C
+ ATOM 414 C ILE A 74 37.119 -25.524 -4.577 1.00 5.48 C
+ ATOM 415 O ILE A 74 37.492 -25.418 -5.727 1.00 8.13 O
+ ATOM 416 CB ILE A 74 38.243 -27.630 -3.779 1.00 12.08 C
+ ATOM 417 CG1 ILE A 74 38.039 -29.024 -3.161 1.00 11.72 C
+ ATOM 418 CG2 ILE A 74 39.174 -26.832 -2.801 1.00 10.17 C
+ ATOM 419 CD1 ILE A 74 37.636 -28.963 -1.719 1.00 10.84 C
+ ATOM 420 N VAL A 75 36.889 -24.475 -3.812 1.00 2.49 N
+ ATOM 421 CA VAL A 75 37.130 -23.129 -4.293 1.00 4.31 C
+ ATOM 422 C VAL A 75 38.140 -22.513 -3.333 1.00 9.01 C
+ ATOM 423 O VAL A 75 38.054 -22.707 -2.115 1.00 10.49 O
+ ATOM 424 CB VAL A 75 35.840 -22.317 -4.362 1.00 3.43 C
+ ATOM 425 CG1 VAL A 75 36.107 -20.894 -4.774 1.00 1.00 C
+ ATOM 426 CG2 VAL A 75 34.913 -22.964 -5.355 1.00 4.30 C
+ ATOM 427 N TYR A 76 39.133 -21.847 -3.916 1.00 10.57 N
+ ATOM 428 CA TYR A 76 40.251 -21.237 -3.201 1.00 9.82 C
+ ATOM 429 C TYR A 76 40.091 -19.749 -3.237 1.00 13.54 C
+ ATOM 430 O TYR A 76 40.024 -19.179 -4.315 1.00 17.59 O
+ ATOM 431 CB TYR A 76 41.537 -21.582 -3.943 1.00 6.09 C
+ ATOM 432 CG TYR A 76 41.844 -23.073 -4.072 1.00 2.63 C
+ ATOM 433 CD1 TYR A 76 42.331 -23.796 -2.995 1.00 1.00 C
+ ATOM 434 CD2 TYR A 76 41.733 -23.719 -5.294 1.00 1.49 C
+ ATOM 435 CE1 TYR A 76 42.714 -25.101 -3.136 1.00 1.00 C
+ ATOM 436 CE2 TYR A 76 42.105 -25.032 -5.437 1.00 1.00 C
+ ATOM 437 CZ TYR A 76 42.600 -25.715 -4.354 1.00 1.93 C
+ ATOM 438 OH TYR A 76 43.024 -27.023 -4.493 1.00 5.30 O
+ ATOM 439 N CYS A 77 40.135 -19.090 -2.089 1.00 15.15 N
+ ATOM 440 CA CYS A 77 39.927 -17.653 -2.094 1.00 17.24 C
+ ATOM 441 C CYS A 77 40.798 -16.855 -1.166 1.00 19.10 C
+ ATOM 442 O CYS A 77 40.527 -15.676 -0.938 1.00 15.49 O
+ ATOM 443 CB CYS A 77 38.449 -17.351 -1.822 1.00 18.53 C
+ ATOM 444 SG CYS A 77 37.662 -18.378 -0.536 1.00 18.57 S
+ ATOM 445 N SER A 78 41.895 -17.469 -0.730 1.00 26.56 N
+ ATOM 446 CA SER A 78 42.874 -16.862 0.185 1.00 33.89 C
+ ATOM 447 C SER A 78 43.454 -15.587 -0.381 1.00 38.51 C
+ ATOM 448 O SER A 78 43.584 -14.563 0.294 1.00 42.17 O
+ ATOM 449 CB SER A 78 44.009 -17.847 0.444 1.00 34.90 C
+ ATOM 450 OG SER A 78 44.316 -18.547 -0.754 1.00 37.68 O
+ ATOM 451 N ASN A 79 43.779 -15.664 -1.653 1.00 39.64 N
+ ATOM 452 CA ASN A 79 44.366 -14.559 -2.394 1.00 43.62 C
+ ATOM 453 C ASN A 79 43.268 -13.694 -2.983 1.00 40.29 C
+ ATOM 454 O ASN A 79 43.551 -12.851 -3.836 1.00 39.90 O
+ ATOM 455 CB ASN A 79 45.102 -15.171 -3.579 1.00 49.71 C
+ ATOM 456 CG ASN A 79 44.178 -16.081 -4.420 1.00 53.95 C
+ ATOM 457 OD1 ASN A 79 43.807 -17.195 -3.989 1.00 55.43 O
+ ATOM 458 ND2 ASN A 79 43.749 -15.579 -5.581 1.00 54.43 N
+ ATOM 459 N ASP A 80 42.035 -13.869 -2.512 1.00 36.87 N
+ ATOM 460 CA ASP A 80 40.908 -13.190 -3.130 1.00 29.52 C
+ ATOM 461 C ASP A 80 39.959 -12.435 -2.231 1.00 27.60 C
+ ATOM 462 O ASP A 80 39.762 -12.820 -1.095 1.00 26.69 O
+ ATOM 463 CB ASP A 80 40.117 -14.258 -3.882 1.00 25.03 C
+ ATOM 464 CG ASP A 80 39.365 -13.714 -5.050 1.00 22.21 C
+ ATOM 465 OD1 ASP A 80 40.031 -13.307 -6.019 1.00 22.42 O
+ ATOM 466 OD2 ASP A 80 38.113 -13.724 -5.006 1.00 20.56 O
+ ATOM 467 N LEU A 81 39.310 -11.414 -2.804 1.00 28.92 N
+ ATOM 468 CA LEU A 81 38.294 -10.583 -2.133 1.00 30.59 C
+ ATOM 469 C LEU A 81 37.167 -11.478 -1.609 1.00 27.06 C
+ ATOM 470 O LEU A 81 36.514 -11.165 -0.620 1.00 27.06 O
+ ATOM 471 CB LEU A 81 37.703 -9.566 -3.128 1.00 37.34 C
+ ATOM 472 CG LEU A 81 36.292 -8.950 -2.964 1.00 42.99 C
+ ATOM 473 CD1 LEU A 81 36.205 -7.965 -1.782 1.00 44.45 C
+ ATOM 474 CD2 LEU A 81 35.909 -8.232 -4.262 1.00 43.58 C
+ ATOM 475 N LEU A 82 36.928 -12.576 -2.314 1.00 23.26 N
+ ATOM 476 CA LEU A 82 35.923 -13.537 -1.940 1.00 18.87 C
+ ATOM 477 C LEU A 82 36.295 -14.064 -0.568 1.00 20.31 C
+ ATOM 478 O LEU A 82 35.435 -14.279 0.266 1.00 22.63 O
+ ATOM 479 CB LEU A 82 35.927 -14.665 -2.956 1.00 18.68 C
+ ATOM 480 CG LEU A 82 34.818 -15.699 -2.920 1.00 16.28 C
+ ATOM 481 CD1 LEU A 82 33.477 -14.974 -2.843 1.00 17.88 C
+ ATOM 482 CD2 LEU A 82 34.923 -16.545 -4.168 1.00 11.40 C
+ ATOM 483 N GLY A 83 37.587 -14.250 -0.331 1.00 21.34 N
+ ATOM 484 CA GLY A 83 38.059 -14.747 0.954 1.00 19.72 C
+ ATOM 485 C GLY A 83 37.901 -13.695 2.031 1.00 22.61 C
+ ATOM 486 O GLY A 83 37.665 -14.045 3.183 1.00 25.72 O
+ ATOM 487 N ASP A 84 38.074 -12.416 1.681 1.00 24.08 N
+ ATOM 488 CA ASP A 84 37.917 -11.315 2.639 1.00 27.82 C
+ ATOM 489 C ASP A 84 36.469 -11.369 3.053 1.00 32.42 C
+ ATOM 490 O ASP A 84 36.142 -11.324 4.234 1.00 36.61 O
+ ATOM 491 CB ASP A 84 38.150 -9.953 1.978 1.00 31.47 C
+ ATOM 492 CG ASP A 84 39.600 -9.712 1.592 1.00 35.83 C
+ ATOM 493 OD1 ASP A 84 40.356 -10.688 1.379 1.00 38.48 O
+ ATOM 494 OD2 ASP A 84 39.984 -8.528 1.482 1.00 36.32 O
+ ATOM 495 N LEU A 85 35.621 -11.493 2.035 1.00 33.28 N
+ ATOM 496 CA LEU A 85 34.172 -11.582 2.136 1.00 31.28 C
+ ATOM 497 C LEU A 85 33.722 -12.742 3.012 1.00 28.59 C
+ ATOM 498 O LEU A 85 33.153 -12.529 4.074 1.00 32.02 O
+ ATOM 499 CB LEU A 85 33.599 -11.783 0.736 1.00 32.23 C
+ ATOM 500 CG LEU A 85 32.135 -11.469 0.508 1.00 33.98 C
+ ATOM 501 CD1 LEU A 85 32.041 -9.998 0.291 1.00 34.37 C
+ ATOM 502 CD2 LEU A 85 31.618 -12.202 -0.714 1.00 34.90 C
+ ATOM 503 N PHE A 86 33.970 -13.968 2.563 1.00 24.06 N
+ ATOM 504 CA PHE A 86 33.565 -15.157 3.314 1.00 22.65 C
+ ATOM 505 C PHE A 86 34.372 -15.379 4.573 1.00 20.98 C
+ ATOM 506 O PHE A 86 33.963 -16.148 5.432 1.00 21.83 O
+ ATOM 507 CB PHE A 86 33.643 -16.418 2.440 1.00 23.60 C
+ ATOM 508 CG PHE A 86 32.600 -16.475 1.346 1.00 25.25 C
+ ATOM 509 CD1 PHE A 86 31.609 -15.496 1.245 1.00 26.07 C
+ ATOM 510 CD2 PHE A 86 32.587 -17.519 0.439 1.00 26.99 C
+ ATOM 511 CE1 PHE A 86 30.628 -15.561 0.261 1.00 26.66 C
+ ATOM 512 CE2 PHE A 86 31.605 -17.596 -0.552 1.00 27.82 C
+ ATOM 513 CZ PHE A 86 30.627 -16.614 -0.638 1.00 28.09 C
+ ATOM 514 N GLY A 87 35.528 -14.727 4.660 1.00 20.07 N
+ ATOM 515 CA GLY A 87 36.406 -14.864 5.809 1.00 19.32 C
+ ATOM 516 C GLY A 87 37.016 -16.250 5.963 1.00 20.03 C
+ ATOM 517 O GLY A 87 37.169 -16.739 7.091 1.00 20.31 O
+ ATOM 518 N VAL A 88 37.337 -16.909 4.848 1.00 19.28 N
+ ATOM 519 CA VAL A 88 37.939 -18.256 4.889 1.00 18.20 C
+ ATOM 520 C VAL A 88 38.922 -18.424 3.734 1.00 19.23 C
+ ATOM 521 O VAL A 88 38.795 -17.764 2.700 1.00 22.03 O
+ ATOM 522 CB VAL A 88 36.879 -19.420 4.797 1.00 16.54 C
+ ATOM 523 CG1 VAL A 88 36.041 -19.490 6.046 1.00 13.24 C
+ ATOM 524 CG2 VAL A 88 36.008 -19.285 3.534 1.00 16.74 C
+ ATOM 525 N PRO A 89 39.936 -19.292 3.910 1.00 17.26 N
+ ATOM 526 CA PRO A 89 40.940 -19.547 2.873 1.00 15.01 C
+ ATOM 527 C PRO A 89 40.341 -20.305 1.690 1.00 16.26 C
+ ATOM 528 O PRO A 89 40.595 -19.957 0.536 1.00 20.02 O
+ ATOM 529 CB PRO A 89 41.987 -20.374 3.615 1.00 14.47 C
+ ATOM 530 CG PRO A 89 41.193 -21.108 4.634 1.00 14.57 C
+ ATOM 531 CD PRO A 89 40.272 -20.026 5.142 1.00 16.66 C
+ ATOM 532 N SER A 90 39.537 -21.327 1.968 1.00 14.88 N
+ ATOM 533 CA SER A 90 38.893 -22.107 0.918 1.00 15.30 C
+ ATOM 534 C SER A 90 37.525 -22.660 1.386 1.00 17.77 C
+ ATOM 535 O SER A 90 37.172 -22.532 2.562 1.00 17.21 O
+ ATOM 536 CB SER A 90 39.825 -23.238 0.476 1.00 13.07 C
+ ATOM 537 OG SER A 90 40.003 -24.201 1.499 1.00 10.50 O
+ ATOM 538 N PHE A 91 36.747 -23.242 0.471 1.00 17.71 N
+ ATOM 539 CA PHE A 91 35.443 -23.810 0.832 1.00 13.01 C
+ ATOM 540 C PHE A 91 34.952 -24.861 -0.174 1.00 13.62 C
+ ATOM 541 O PHE A 91 35.483 -24.952 -1.278 1.00 14.61 O
+ ATOM 542 CB PHE A 91 34.398 -22.696 1.069 1.00 9.68 C
+ ATOM 543 CG PHE A 91 34.044 -21.860 -0.158 1.00 5.81 C
+ ATOM 544 CD1 PHE A 91 33.094 -22.293 -1.067 1.00 6.55 C
+ ATOM 545 CD2 PHE A 91 34.579 -20.596 -0.338 1.00 5.77 C
+ ATOM 546 CE1 PHE A 91 32.671 -21.477 -2.129 1.00 5.62 C
+ ATOM 547 CE2 PHE A 91 34.164 -19.782 -1.392 1.00 5.00 C
+ ATOM 548 CZ PHE A 91 33.209 -20.230 -2.280 1.00 6.43 C
+ ATOM 549 N SER A 92 34.014 -25.714 0.241 1.00 13.98 N
+ ATOM 550 CA SER A 92 33.450 -26.746 -0.627 1.00 12.99 C
+ ATOM 551 C SER A 92 32.038 -26.359 -0.998 1.00 14.71 C
+ ATOM 552 O SER A 92 31.181 -26.253 -0.122 1.00 15.05 O
+ ATOM 553 CB SER A 92 33.399 -28.074 0.099 1.00 15.88 C
+ ATOM 554 OG SER A 92 32.677 -29.051 -0.652 1.00 19.78 O
+ ATOM 555 N VAL A 93 31.773 -26.173 -2.288 1.00 17.37 N
+ ATOM 556 CA VAL A 93 30.426 -25.784 -2.700 1.00 18.30 C
+ ATOM 557 C VAL A 93 29.429 -26.853 -2.295 1.00 20.89 C
+ ATOM 558 O VAL A 93 28.225 -26.606 -2.273 1.00 25.39 O
+ ATOM 559 CB VAL A 93 30.275 -25.513 -4.223 1.00 15.03 C
+ ATOM 560 CG1 VAL A 93 31.333 -24.544 -4.718 1.00 16.89 C
+ ATOM 561 CG2 VAL A 93 30.274 -26.792 -4.990 1.00 12.62 C
+ ATOM 562 N LYS A 94 29.934 -28.030 -1.951 1.00 16.49 N
+ ATOM 563 CA LYS A 94 29.078 -29.107 -1.549 1.00 15.72 C
+ ATOM 564 C LYS A 94 28.532 -28.949 -0.138 1.00 19.47 C
+ ATOM 565 O LYS A 94 27.718 -29.751 0.296 1.00 21.41 O
+ ATOM 566 CB LYS A 94 29.817 -30.419 -1.646 1.00 17.53 C
+ ATOM 567 CG LYS A 94 30.080 -30.892 -3.033 1.00 19.31 C
+ ATOM 568 CD LYS A 94 30.722 -32.253 -2.946 1.00 23.17 C
+ ATOM 569 CE LYS A 94 30.952 -32.844 -4.316 1.00 28.08 C
+ ATOM 570 NZ LYS A 94 31.566 -34.209 -4.222 1.00 30.82 N
+ ATOM 571 N GLU A 95 28.985 -27.954 0.609 1.00 22.29 N
+ ATOM 572 CA GLU A 95 28.477 -27.767 1.956 1.00 23.82 C
+ ATOM 573 C GLU A 95 27.485 -26.624 1.876 1.00 22.81 C
+ ATOM 574 O GLU A 95 27.821 -25.478 2.202 1.00 22.39 O
+ ATOM 575 CB GLU A 95 29.601 -27.367 2.890 1.00 31.07 C
+ ATOM 576 CG GLU A 95 30.820 -28.239 2.853 1.00 37.59 C
+ ATOM 577 CD GLU A 95 31.989 -27.593 3.595 1.00 43.46 C
+ ATOM 578 OE1 GLU A 95 32.296 -26.392 3.349 1.00 43.63 O
+ ATOM 579 OE2 GLU A 95 32.599 -28.297 4.429 1.00 46.58 O
+ ATOM 580 N HIS A 96 26.252 -26.947 1.488 1.00 21.86 N
+ ATOM 581 CA HIS A 96 25.184 -25.952 1.309 1.00 18.69 C
+ ATOM 582 C HIS A 96 24.900 -25.057 2.510 1.00 18.22 C
+ ATOM 583 O HIS A 96 24.782 -23.842 2.369 1.00 18.94 O
+ ATOM 584 CB HIS A 96 23.890 -26.617 0.839 1.00 17.58 C
+ ATOM 585 CG HIS A 96 24.017 -27.365 -0.457 1.00 16.90 C
+ ATOM 586 ND1 HIS A 96 24.923 -27.019 -1.434 1.00 15.62 N
+ ATOM 587 CD2 HIS A 96 23.371 -28.460 -0.919 1.00 18.23 C
+ ATOM 588 CE1 HIS A 96 24.839 -27.875 -2.440 1.00 16.07 C
+ ATOM 589 NE2 HIS A 96 23.904 -28.759 -2.151 1.00 17.70 N
+ ATOM 590 N ARG A 97 24.798 -25.638 3.694 1.00 17.37 N
+ ATOM 591 CA ARG A 97 24.525 -24.832 4.873 1.00 15.09 C
+ ATOM 592 C ARG A 97 25.645 -23.820 5.118 1.00 16.62 C
+ ATOM 593 O ARG A 97 25.395 -22.678 5.494 1.00 16.57 O
+ ATOM 594 CB ARG A 97 24.314 -25.730 6.093 1.00 12.02 C
+ ATOM 595 CG ARG A 97 23.811 -24.994 7.323 1.00 11.33 C
+ ATOM 596 CD ARG A 97 23.642 -25.948 8.472 1.00 12.38 C
+ ATOM 597 NE ARG A 97 22.697 -27.032 8.216 1.00 15.31 N
+ ATOM 598 CZ ARG A 97 21.422 -27.040 8.630 1.00 17.96 C
+ ATOM 599 NH1 ARG A 97 20.921 -26.012 9.312 1.00 15.89 N
+ ATOM 600 NH2 ARG A 97 20.666 -28.118 8.441 1.00 18.19 N
+ ATOM 601 N LYS A 98 26.883 -24.219 4.861 1.00 19.25 N
+ ATOM 602 CA LYS A 98 27.998 -23.312 5.072 1.00 20.50 C
+ ATOM 603 C LYS A 98 27.983 -22.184 4.079 1.00 18.09 C
+ ATOM 604 O LYS A 98 28.003 -21.023 4.478 1.00 20.14 O
+ ATOM 605 CB LYS A 98 29.324 -24.039 4.974 1.00 27.06 C
+ ATOM 606 CG LYS A 98 29.808 -24.623 6.264 1.00 33.25 C
+ ATOM 607 CD LYS A 98 31.240 -25.071 6.082 1.00 39.81 C
+ ATOM 608 CE LYS A 98 32.090 -23.947 5.472 1.00 44.47 C
+ ATOM 609 NZ LYS A 98 32.296 -22.815 6.427 1.00 47.34 N
+ ATOM 610 N ILE A 99 27.949 -22.524 2.788 1.00 15.40 N
+ ATOM 611 CA ILE A 99 27.938 -21.523 1.717 1.00 15.01 C
+ ATOM 612 C ILE A 99 26.802 -20.529 1.923 1.00 17.44 C
+ ATOM 613 O ILE A 99 27.014 -19.307 1.926 1.00 18.10 O
+ ATOM 614 CB ILE A 99 27.728 -22.153 0.328 1.00 15.52 C
+ ATOM 615 CG1 ILE A 99 28.645 -23.348 0.118 1.00 16.84 C
+ ATOM 616 CG2 ILE A 99 28.032 -21.138 -0.728 1.00 16.45 C
+ ATOM 617 CD1 ILE A 99 30.108 -22.999 0.168 1.00 18.50 C
+ ATOM 618 N TYR A 100 25.598 -21.070 2.126 1.00 19.20 N
+ ATOM 619 CA TYR A 100 24.403 -20.267 2.326 1.00 18.81 C
+ ATOM 620 C TYR A 100 24.547 -19.345 3.510 1.00 16.22 C
+ ATOM 621 O TYR A 100 24.117 -18.185 3.454 1.00 19.82 O
+ ATOM 622 CB TYR A 100 23.190 -21.153 2.496 1.00 24.97 C
+ ATOM 623 CG TYR A 100 21.898 -20.417 2.284 1.00 30.83 C
+ ATOM 624 CD1 TYR A 100 21.482 -20.044 1.004 1.00 31.83 C
+ ATOM 625 CD2 TYR A 100 21.095 -20.079 3.366 1.00 35.02 C
+ ATOM 626 CE1 TYR A 100 20.306 -19.348 0.814 1.00 34.30 C
+ ATOM 627 CE2 TYR A 100 19.917 -19.384 3.192 1.00 37.14 C
+ ATOM 628 CZ TYR A 100 19.526 -19.019 1.921 1.00 38.42 C
+ ATOM 629 OH TYR A 100 18.367 -18.281 1.803 1.00 42.34 O
+ ATOM 630 N THR A 101 25.186 -19.830 4.566 1.00 11.06 N
+ ATOM 631 CA THR A 101 25.388 -18.998 5.738 1.00 13.10 C
+ ATOM 632 C THR A 101 26.369 -17.858 5.493 1.00 11.97 C
+ ATOM 633 O THR A 101 26.133 -16.706 5.874 1.00 11.20 O
+ ATOM 634 CB THR A 101 25.880 -19.837 6.946 1.00 19.30 C
+ ATOM 635 OG1 THR A 101 24.880 -20.809 7.296 1.00 23.86 O
+ ATOM 636 CG2 THR A 101 26.154 -18.938 8.162 1.00 18.32 C
+ ATOM 637 N MET A 102 27.494 -18.180 4.873 1.00 13.67 N
+ ATOM 638 CA MET A 102 28.506 -17.169 4.622 1.00 14.03 C
+ ATOM 639 C MET A 102 27.932 -16.089 3.752 1.00 13.43 C
+ ATOM 640 O MET A 102 28.082 -14.910 4.059 1.00 13.36 O
+ ATOM 641 CB MET A 102 29.748 -17.787 3.990 1.00 15.52 C
+ ATOM 642 CG MET A 102 30.469 -18.757 4.907 1.00 16.74 C
+ ATOM 643 SD MET A 102 32.005 -19.317 4.198 1.00 19.43 S
+ ATOM 644 CE MET A 102 31.533 -20.724 3.326 1.00 17.64 C
+ ATOM 645 N ILE A 103 27.232 -16.506 2.697 1.00 15.07 N
+ ATOM 646 CA ILE A 103 26.593 -15.577 1.774 1.00 17.58 C
+ ATOM 647 C ILE A 103 25.575 -14.690 2.508 1.00 20.37 C
+ ATOM 648 O ILE A 103 25.527 -13.486 2.277 1.00 18.95 O
+ ATOM 649 CB ILE A 103 25.883 -16.321 0.634 1.00 17.88 C
+ ATOM 650 CG1 ILE A 103 26.896 -17.111 -0.193 1.00 17.49 C
+ ATOM 651 CG2 ILE A 103 25.152 -15.335 -0.267 1.00 17.47 C
+ ATOM 652 CD1 ILE A 103 26.266 -17.985 -1.286 1.00 15.46 C
+ ATOM 653 N TYR A 104 24.791 -15.269 3.417 1.00 26.57 N
+ ATOM 654 CA TYR A 104 23.812 -14.487 4.168 1.00 30.90 C
+ ATOM 655 C TYR A 104 24.384 -13.445 5.095 1.00 31.73 C
+ ATOM 656 O TYR A 104 23.786 -12.399 5.278 1.00 31.18 O
+ ATOM 657 CB TYR A 104 22.841 -15.375 4.922 1.00 36.22 C
+ ATOM 658 CG TYR A 104 21.502 -15.350 4.254 1.00 43.21 C
+ ATOM 659 CD1 TYR A 104 21.219 -16.222 3.208 1.00 46.10 C
+ ATOM 660 CD2 TYR A 104 20.546 -14.381 4.591 1.00 47.20 C
+ ATOM 661 CE1 TYR A 104 20.031 -16.134 2.505 1.00 49.00 C
+ ATOM 662 CE2 TYR A 104 19.338 -14.286 3.885 1.00 50.18 C
+ ATOM 663 CZ TYR A 104 19.091 -15.175 2.840 1.00 51.57 C
+ ATOM 664 OH TYR A 104 17.904 -15.133 2.138 1.00 53.78 O
+ ATOM 665 N ARG A 105 25.558 -13.712 5.652 1.00 35.53 N
+ ATOM 666 CA ARG A 105 26.227 -12.764 6.549 1.00 34.37 C
+ ATOM 667 C ARG A 105 26.539 -11.468 5.814 1.00 30.61 C
+ ATOM 668 O ARG A 105 26.762 -10.429 6.439 1.00 32.92 O
+ ATOM 669 CB ARG A 105 27.538 -13.365 7.096 1.00 38.15 C
+ ATOM 670 CG ARG A 105 27.350 -14.668 7.876 1.00 43.81 C
+ ATOM 671 CD ARG A 105 28.516 -14.975 8.808 1.00 49.18 C
+ ATOM 672 NE ARG A 105 29.578 -15.760 8.174 1.00 54.51 N
+ ATOM 673 CZ ARG A 105 30.684 -15.253 7.623 1.00 57.35 C
+ ATOM 674 NH1 ARG A 105 30.904 -13.938 7.603 1.00 58.70 N
+ ATOM 675 NH2 ARG A 105 31.589 -16.072 7.106 1.00 57.31 N
+ ATOM 676 N ASN A 106 26.546 -11.532 4.487 1.00 27.25 N
+ ATOM 677 CA ASN A 106 26.864 -10.377 3.657 1.00 27.34 C
+ ATOM 678 C ASN A 106 25.679 -9.699 3.022 1.00 27.34 C
+ ATOM 679 O ASN A 106 25.842 -8.848 2.149 1.00 25.54 O
+ ATOM 680 CB ASN A 106 27.853 -10.770 2.563 1.00 30.39 C
+ ATOM 681 CG ASN A 106 29.258 -10.946 3.091 1.00 30.78 C
+ ATOM 682 OD1 ASN A 106 29.664 -12.058 3.420 1.00 31.77 O
+ ATOM 683 ND2 ASN A 106 30.002 -9.839 3.207 1.00 28.54 N
+ ATOM 684 N LEU A 107 24.487 -10.065 3.465 1.00 29.67 N
+ ATOM 685 CA LEU A 107 23.276 -9.482 2.929 1.00 28.94 C
+ ATOM 686 C LEU A 107 22.467 -8.866 4.044 1.00 30.37 C
+ ATOM 687 O LEU A 107 22.684 -9.133 5.225 1.00 29.22 O
+ ATOM 688 CB LEU A 107 22.390 -10.558 2.300 1.00 25.42 C
+ ATOM 689 CG LEU A 107 22.846 -11.433 1.151 1.00 22.75 C
+ ATOM 690 CD1 LEU A 107 21.897 -12.599 1.086 1.00 23.42 C
+ ATOM 691 CD2 LEU A 107 22.903 -10.680 -0.153 1.00 20.95 C
+ ATOM 692 N VAL A 108 21.459 -8.118 3.631 1.00 32.60 N
+ ATOM 693 CA VAL A 108 20.518 -7.502 4.535 1.00 34.59 C
+ ATOM 694 C VAL A 108 19.180 -7.624 3.820 1.00 34.90 C
+ ATOM 695 O VAL A 108 19.119 -7.559 2.589 1.00 32.74 O
+ ATOM 696 CB VAL A 108 20.914 -6.048 4.869 1.00 36.33 C
+ ATOM 697 CG1 VAL A 108 21.650 -5.412 3.709 1.00 37.75 C
+ ATOM 698 CG2 VAL A 108 19.690 -5.236 5.243 1.00 36.99 C
+ ATOM 699 N VAL A 109 18.143 -7.864 4.619 1.00 38.64 N
+ ATOM 700 CA VAL A 109 16.736 -8.058 4.213 1.00 40.78 C
+ ATOM 701 C VAL A 109 16.520 -9.550 3.941 1.00 42.51 C
+ ATOM 702 O VAL A 109 17.481 -10.242 3.539 1.00 42.68 O
+ ATOM 703 CB VAL A 109 16.277 -7.204 2.975 1.00 41.86 C
+ ATOM 704 CG1 VAL A 109 14.762 -7.298 2.791 1.00 41.92 C
+ ATOM 705 CG2 VAL A 109 16.649 -5.745 3.141 1.00 43.61 C
+ TER 706 VAL A 109
+ ATOM 707 N GLU B 17 32.075 -34.286 -11.853 1.00 52.56 N
+ ATOM 708 CA GLU B 17 31.206 -33.198 -11.326 1.00 50.89 C
+ ATOM 709 C GLU B 17 31.909 -31.865 -11.563 1.00 44.52 C
+ ATOM 710 O GLU B 17 32.999 -31.632 -11.049 1.00 46.37 O
+ ATOM 711 CB GLU B 17 30.912 -33.429 -9.824 1.00 55.17 C
+ ATOM 712 CG GLU B 17 32.078 -34.013 -8.980 1.00 58.48 C
+ ATOM 713 CD GLU B 17 32.839 -32.976 -8.139 1.00 60.32 C
+ ATOM 714 OE1 GLU B 17 32.302 -32.543 -7.098 1.00 60.54 O
+ ATOM 715 OE2 GLU B 17 33.988 -32.618 -8.498 1.00 60.63 O
+ ATOM 716 N THR B 17Z 31.324 -31.015 -12.390 1.00 36.89 N
+ ATOM 717 CA THR B 17Z 31.948 -29.737 -12.658 1.00 32.17 C
+ ATOM 718 C THR B 17Z 31.419 -28.661 -11.707 1.00 26.92 C
+ ATOM 719 O THR B 17Z 30.376 -28.848 -11.062 1.00 25.44 O
+ ATOM 720 CB THR B 17Z 31.733 -29.316 -14.107 1.00 33.65 C
+ ATOM 721 OG1 THR B 17Z 30.372 -28.917 -14.291 1.00 33.86 O
+ ATOM 722 CG2 THR B 17Z 32.040 -30.485 -15.032 1.00 35.00 C
+ ATOM 723 N PHE B 19 32.143 -27.542 -11.625 1.00 22.45 N
+ ATOM 724 CA PHE B 19 31.769 -26.453 -10.742 1.00 17.73 C
+ ATOM 725 C PHE B 19 30.344 -26.019 -10.974 1.00 21.74 C
+ ATOM 726 O PHE B 19 29.549 -25.992 -10.043 1.00 22.84 O
+ ATOM 727 CB PHE B 19 32.674 -25.245 -10.916 1.00 12.04 C
+ ATOM 728 CG PHE B 19 32.265 -24.076 -10.062 1.00 12.01 C
+ ATOM 729 CD1 PHE B 19 32.438 -24.116 -8.685 1.00 12.17 C
+ ATOM 730 CD2 PHE B 19 31.667 -22.955 -10.628 1.00 11.53 C
+ ATOM 731 CE1 PHE B 19 32.021 -23.055 -7.889 1.00 13.45 C
+ ATOM 732 CE2 PHE B 19 31.246 -21.888 -9.839 1.00 10.96 C
+ ATOM 733 CZ PHE B 19 31.421 -21.935 -8.468 1.00 11.75 C
+ ATOM 734 N SER B 20 30.030 -25.693 -12.225 1.00 24.64 N
+ ATOM 735 CA SER B 20 28.703 -25.237 -12.606 1.00 26.30 C
+ ATOM 736 C SER B 20 27.575 -26.173 -12.205 1.00 27.49 C
+ ATOM 737 O SER B 20 26.509 -25.712 -11.822 1.00 28.40 O
+ ATOM 738 CB SER B 20 28.652 -24.947 -14.093 1.00 27.55 C
+ ATOM 739 OG SER B 20 28.286 -23.593 -14.268 1.00 30.01 O
+ ATOM 740 N ASP B 21 27.809 -27.478 -12.284 1.00 27.30 N
+ ATOM 741 CA ASP B 21 26.814 -28.452 -11.882 1.00 28.79 C
+ ATOM 742 C ASP B 21 26.639 -28.352 -10.378 1.00 29.54 C
+ ATOM 743 O ASP B 21 25.519 -28.300 -9.873 1.00 33.11 O
+ ATOM 744 CB ASP B 21 27.281 -29.875 -12.205 1.00 33.00 C
+ ATOM 745 CG ASP B 21 27.479 -30.112 -13.692 1.00 38.52 C
+ ATOM 746 OD1 ASP B 21 26.877 -29.358 -14.503 1.00 39.73 O
+ ATOM 747 OD2 ASP B 21 28.238 -31.057 -14.042 1.00 40.32 O
+ ATOM 748 N LEU B 22 27.761 -28.324 -9.665 1.00 26.27 N
+ ATOM 749 CA LEU B 22 27.753 -28.274 -8.217 1.00 21.85 C
+ ATOM 750 C LEU B 22 27.124 -27.006 -7.657 1.00 22.11 C
+ ATOM 751 O LEU B 22 26.320 -27.064 -6.716 1.00 24.72 O
+ ATOM 752 CB LEU B 22 29.180 -28.412 -7.685 1.00 18.73 C
+ ATOM 753 CG LEU B 22 29.872 -29.738 -7.354 1.00 15.80 C
+ ATOM 754 CD1 LEU B 22 29.042 -30.916 -7.782 1.00 14.53 C
+ ATOM 755 CD2 LEU B 22 31.236 -29.774 -8.020 1.00 14.98 C
+ ATOM 756 N TRP B 23 27.477 -25.871 -8.251 1.00 19.21 N
+ ATOM 757 CA TRP B 23 27.021 -24.553 -7.803 1.00 20.10 C
+ ATOM 758 C TRP B 23 25.532 -24.284 -8.011 1.00 25.27 C
+ ATOM 759 O TRP B 23 24.919 -23.498 -7.297 1.00 27.09 O
+ ATOM 760 CB TRP B 23 27.892 -23.448 -8.451 1.00 14.64 C
+ ATOM 761 CG TRP B 23 27.585 -22.055 -8.009 1.00 11.74 C
+ ATOM 762 CD1 TRP B 23 26.730 -21.178 -8.613 1.00 10.40 C
+ ATOM 763 CD2 TRP B 23 28.090 -21.382 -6.842 1.00 11.59 C
+ ATOM 764 NE1 TRP B 23 26.659 -20.002 -7.892 1.00 8.62 N
+ ATOM 765 CE2 TRP B 23 27.478 -20.101 -6.799 1.00 10.54 C
+ ATOM 766 CE3 TRP B 23 28.990 -21.731 -5.830 1.00 11.67 C
+ ATOM 767 CZ2 TRP B 23 27.738 -19.177 -5.784 1.00 11.03 C
+ ATOM 768 CZ3 TRP B 23 29.251 -20.809 -4.825 1.00 10.73 C
+ ATOM 769 CH2 TRP B 23 28.623 -19.548 -4.812 1.00 10.81 C
+ ATOM 770 N LYS B 24 24.939 -24.930 -8.991 1.00 30.12 N
+ ATOM 771 CA LYS B 24 23.530 -24.716 -9.231 1.00 35.48 C
+ ATOM 772 C LYS B 24 22.646 -25.442 -8.219 1.00 35.68 C
+ ATOM 773 O LYS B 24 21.451 -25.171 -8.134 1.00 39.75 O
+ ATOM 774 CB LYS B 24 23.180 -25.083 -10.671 1.00 41.39 C
+ ATOM 775 CG LYS B 24 23.805 -24.114 -11.676 1.00 46.84 C
+ ATOM 776 CD LYS B 24 23.803 -24.649 -13.100 1.00 50.66 C
+ ATOM 777 CE LYS B 24 24.657 -23.764 -13.999 1.00 52.44 C
+ ATOM 778 NZ LYS B 24 24.754 -24.351 -15.355 1.00 53.53 N
+ ATOM 779 N LEU B 25 23.240 -26.308 -7.408 1.00 31.53 N
+ ATOM 780 CA LEU B 25 22.485 -27.035 -6.394 1.00 28.43 C
+ ATOM 781 C LEU B 25 22.403 -26.295 -5.067 1.00 27.36 C
+ ATOM 782 O LEU B 25 22.155 -26.900 -4.030 1.00 28.91 O
+ ATOM 783 CB LEU B 25 23.113 -28.401 -6.153 1.00 28.84 C
+ ATOM 784 CG LEU B 25 23.201 -29.321 -7.366 1.00 30.87 C
+ ATOM 785 CD1 LEU B 25 23.891 -30.600 -6.922 1.00 30.42 C
+ ATOM 786 CD2 LEU B 25 21.808 -29.605 -7.945 1.00 30.75 C
+ ATOM 787 N LEU B 26 22.657 -24.998 -5.083 1.00 28.16 N
+ ATOM 788 CA LEU B 26 22.616 -24.202 -3.862 1.00 30.58 C
+ ATOM 789 C LEU B 26 21.235 -23.583 -3.733 1.00 32.69 C
+ ATOM 790 O LEU B 26 20.630 -23.223 -4.753 1.00 33.43 O
+ ATOM 791 CB LEU B 26 23.652 -23.069 -3.918 1.00 30.27 C
+ ATOM 792 CG LEU B 26 25.131 -23.345 -4.163 1.00 29.57 C
+ ATOM 793 CD1 LEU B 26 25.825 -22.010 -4.268 1.00 29.65 C
+ ATOM 794 CD2 LEU B 26 25.723 -24.177 -3.038 1.00 29.90 C
+ ATOM 795 N PRO B 27 20.753 -23.387 -2.477 1.00 32.15 N
+ ATOM 796 CA PRO B 27 19.442 -22.801 -2.172 1.00 32.91 C
+ ATOM 797 C PRO B 27 19.329 -21.458 -2.877 1.00 36.74 C
+ ATOM 798 O PRO B 27 20.105 -20.538 -2.608 1.00 37.93 O
+ ATOM 799 CB PRO B 27 19.491 -22.646 -0.660 1.00 31.00 C
+ ATOM 800 CG PRO B 27 20.369 -23.774 -0.245 1.00 28.74 C
+ ATOM 801 CD PRO B 27 21.480 -23.661 -1.226 1.00 29.37 C
+ ATOM 802 N GLU B 28 18.368 -21.373 -3.794 1.00 39.68 N
+ ATOM 803 CA GLU B 28 18.139 -20.187 -4.619 1.00 41.42 C
+ ATOM 804 C GLU B 28 17.306 -19.049 -4.048 1.00 41.07 C
+ ATOM 805 O GLU B 28 17.039 -18.062 -4.733 1.00 44.94 O
+ ATOM 806 CB GLU B 28 17.603 -20.610 -5.988 1.00 43.50 C
+ ATOM 807 CG GLU B 28 16.553 -21.693 -5.923 1.00 46.41 C
+ ATOM 808 CD GLU B 28 16.395 -22.434 -7.228 1.00 50.74 C
+ ATOM 809 OE1 GLU B 28 17.341 -22.426 -8.054 1.00 50.52 O
+ ATOM 810 OE2 GLU B 28 15.315 -23.043 -7.418 1.00 54.75 O
+ ATOM 811 N ASN B 29 16.925 -19.172 -2.791 1.00 37.74 N
+ ATOM 812 CA ASN B 29 16.147 -18.147 -2.112 1.00 37.72 C
+ ATOM 813 C ASN B 29 16.548 -18.261 -0.669 1.00 30.80 C
+ ATOM 814 O ASN B 29 17.159 -19.284 -0.370 1.00 28.87 O
+ ATOM 815 CB ASN B 29 14.634 -18.393 -2.256 1.00 44.98 C
+ ATOM 816 CG ASN B 29 14.044 -17.784 -3.540 1.00 49.82 C
+ ATOM 817 OD1 ASN B 29 14.536 -16.773 -4.071 1.00 50.99 O
+ ATOM 818 ND2 ASN B 29 12.963 -18.387 -4.023 1.00 51.64 N
+ ATOM 819 OXT ASN B 29 16.296 -17.351 0.139 1.00 30.36 O
+ TER 820 ASN B 29
+ MASTER 247 0 0 5 2 0 0 6 818 2 0 11
+ END
+ </textarea>
+{% endblock %}
\ No newline at end of file
diff --git a/app/views.py b/app/views.py
index 0d6f7fc..42c119e 100644
--- a/app/views.py
+++ b/app/views.py
@@ -27,6 +27,11 @@ def about():
"""Render about page."""
return render_template('about.html')
+@app.route('/Visualise')
+def visualise():
+ """Render visualisation page."""
+ return render_template('visualise.html')
+
@app.route('/basic-form', methods=['GET', 'POST'])
def basic_form():
--
cgit v1.2.3