/
testgl.html
11668 lines (11621 loc) · 854 KB
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testgl.html
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<!DOCTYPE html>
<html>
<head>
<title>3Dmol.js Test</title>
<script src="../build/3Dmol.js"></script>
<style> head, body {margin: 0; border: 0; padding: 0; max-height: 100vh}</style>
<script>
var glviewer = null;
var labels = [];
var m = null;
var posLobe = null;
var negLobe = null;
var m2 = null;
var atoms = null;
var moldata = "";
var l = null;
var modelgroup = null;
var receptorModel = null;
var ligandModel = null;
var molObj = null; //Object3D for each rendered model
var lastsurfstyle = true;
var voldata = null;
var toggleSurfTrans = function(surf) {
var opacity = !!(lastsurfstyle) ? 0.75 : 1;
glviewer.setSurfaceMaterialStyle(surf,{ 'opacity': opacity});
glviewer.render();
lastsurfstyle = !(lastsurfstyle);
};
var isoutlined = false;
var toggleOutline = function() {
if(isoutlined) {
glviewer.setViewStyle({});
isoutlined = false;
} else {
glviewer.setViewStyle({style: 'outline',color:'blue',width:0.1});
isoutlined = true;
}
glviewer.render();
};
var addLabels = function() {
var atoms = glviewer.getModel().selectedAtoms({atom : "CA"});
for (var a in atoms) {
var atom = atoms[a];
//if (atom.resn.trim() === "ASN") {
var l = glviewer.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 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}});
atom.clicked = true;
}
//toggle label style
else{
if (atom.clicked) {
var newstyle = {fontSize: atom.clickLabel.fontSize, position: atom.clickLabel.position,
backgroundColor: {r: 100, g: 0, b: 255, a: 0.8}};
viewer.setLabelStyle(atom.clickLabel, newstyle);
atom.clicked = !atom.clicked;
}
else {
viewer.removeLabel(atom.clickLabel);
atom.clickLabel = undefined;
atom.clicked = false;
}
}
};
var shapecallback = function(shape, viewer) {
if(shape.clickLabel === undefined || !shape.clickLabel instanceof $3Dmol.Label) {
shape.clickLabel = viewer.addLabel("Shape " + shape.id, {fontSize:14, position:
{x:shape.position.x, y:shape.position.y, z:shape.position.z}});
shape.clicked=true;
}
else {
if (shape.clicked) {
var newstyle = shape.clickLabel.stylespec;
newstyle.backgroundColor = {r:100, g:0, b:255, a:0.8};
viewer.setLabelStyle(shape.clickLabel, newstyle);
shape.clicked = !shape.clicked;
}
else {
viewer.removeLabel(shape.clickLabel);
shape.clickLabel = undefined;
shape.clicked = false;
}
}
};
$(document).ready(function() {
var viewer = glviewer = $3Dmol.createViewer("gldiv");
// viewer.addModel($('#moldata_sdf').val(), null, {keepH: true});
// viewer.setBackgroundColor("white");
//glviewer.setStyle({},{stick:{}});
//glviewer.zoomTo();
// glviewer.rotate(10);
//glviewer.setView([ -4.5, -0, -0, 131.0067105441296, -0.024549708693956798, -0.7053212242625087, 0.02109860663993842, -0.7081483821952366 ]);
//glviewer.render();
//atoms = m.selectedAtoms({ });
//m.setStyle({resi:[34,35]},{sphere:{}});
/*$3Dmol.download("pdb:1ubq", viewer, null, function(m) {
m.setStyle({bonds: 0}, {sphere:{radius:0.5}});
viewer.addSurface($3Dmol.SurfaceType.VDW, {colorscheme: 'rasmol'}, {bonds: 0, invert: true});
viewer.addSurface($3Dmol.SurfaceType.SAS, {color: 'white', opacity: 0.75}, {bonds: 0, invert: true});
});*/
/*
$.get('./test_structs/4v99.cif', function(data) {
console.profile("label for profile");
glviewer.clear();
glviewer.addModel(data, 'cif');
glviewer.zoomTo();
var time = new Date();
glviewer.setStyle({stick:{}});
glviewer.render();
console.log("Create: "+(new Date() - time));
for(var i = 0; i < 10; i++)
{
time = new Date();
glviewer.rotate(10);
glviewer.render();
console.log("Rotate: "+(new Date() - time));
}
console.profileEnd();
});
*/
viewer.setBackgroundColor(0xffffffff);
function load_ccp4_map (viewer, url) {
var req = new XMLHttpRequest();
req.open('GET', url, true);
req.responseType = "arraybuffer";
req.onload = function (aEvt) {
var map_data = new Int8Array(req.response);
var voldata = new $3Dmol.VolumeData(req.response, "ccp4.gz");
/* viewer.addIsosurface(voldata, {isoval: 25,
color: "blue",
alpha: 0.5,
smoothness: 0});
*/
viewer.addIsosurface(voldata, {isoval: 0.3,
color: "red",
linewidth:0.005,
wireframe: true,
smoothness: 0,
callback:
function() {
this.opacity = 0.0;
viewer.render();
}});
viewer.setStyle({}, {stick:{}});
viewer.zoomTo();
viewer.render();
};
req.send(null);
}
//load_ccp4_map (viewer,"check/volData/4ysj.ccp4.gz");
// $3Dmol.download('pdb:4ysj',viewer,{},function() { viewer.setStyle({'cartoon':{},'stick':{}}); viewer.render(); });
// $3Dmol.download('pdb:1bna',viewer,{},function() { viewer.setStyle({'cartoon':{},'stick':{}}); viewer.render(); });
/* $3Dmol.download('pdb:1ejg',viewer,{altLoc:'*'},function() {
viewer.setStyle({'stick':{color:'#34f'}}); viewer.render();
viewer.mapAtomProperties($3Dmol.applyPartialCharges);
}); */
viewer.setBackgroundColor(0xffffffff);
viewer.addModel($("#actinpdb").text(),'pdb');
viewer.setStyle({cartoon: {style: 'trace'}});
viewer.zoomTo();
viewer.render();
});
</script>
</head>
<body>
<div id="gldiv" style="width: 100%; position: relative; height: 80vh; margin: 0; padding: 0; border: 0; "></div>
<hr style="margin: 0;">
<br>
<input type="button" value="Stick" onclick="glviewer.setStyle({},{stick:{}}); glviewer.render();"></input>
<input type="button" value="Line" onclick="glviewer.setStyle({},{line:{}}); glviewer.render();"></input>
<input type="button" value="Cross" onclick="glviewer.setStyle({},{cross:{linewidth:5}}); glviewer.render();"></input>
<input type="button" value="Sphere" onclick="glviewer.setStyle({},{sphere:{}}); glviewer.render();"></input>
<input type="button" value="Cartoon" onclick="glviewer.setStyle({hetflag:false},{cartoon:{color: 'spectrum'}}); glviewer.render();"></input>
<input type="button" value="Trace" onclick="glviewer.setStyle({},{cartoon:{style: 'trace',color: 'spectrum',thickness: 0.3}}); glviewer.render();"></input>
<input type="button" value="Label alpha C's" onclick="addLabels(glviewer); glviewer.render();"></input>
<br>
<input type="button" value="Surface1" onclick="surf1 = glviewer.addSurface($3Dmol.SurfaceType.VDW, {}, {chain:'A'});"></input>
<input type="button" value="Surface2" onclick="surf2 = glviewer.addSurface($3Dmol.SurfaceType.MS,{map:{prop:'partialCharge',scheme:new $3Dmol.Gradient.RWB(-.6,.6)}, opacity:1}, {chain:'B'},{});"></input>
<input type="button" value="RM Surface1" onclick="glviewer.removeSurface(surf1), lastsurfstyle = 1;"></input>
<input type="button" value="RM Surface2" onclick="glviewer.removeSurface(surf2), lastsurfstyle = 1;"></input>
<input type="button" value="T" onclick="toggleSurfTrans(surf1);"></input>
<input type="button" value="Outline" onclick="toggleOutline();"></input>
<br>
<input type="button" value="Recenter" onclick="glviewer.zoomTo();"></input>
<input type="button" value="Orthographic" onclick="glviewer.setProjection('orthographic'); glviewer.render();"></input>
<input type="button" value="Perspective" onclick="glviewer.setProjection('perspective'); glviewer.render();"></input>
<br>
<input id="pdbid" value="2POR" size=4><button onclick="glviewer.clear(); m = $3Dmol.download('pdb:' + $('#pdbid').val(), glviewer);">Download</button><br>
<textarea style="display: none" id="sdfdata">d-(+)-glucose
OpenBabel04011510253D
24 23 0 0 1 0 0 0 0 0999 V2000
-3.9862 -0.0915 -0.4753 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1086 -0.7606 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9542 -0.0724 0.7328 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.0091 -0.2416 1.8344 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0231 1.3296 0.5822 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6215 -0.5963 0.1543 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3770 -1.6015 0.5802 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8043 -0.8528 -1.2167 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5438 0.3873 0.3765 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5651 0.7638 1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4099 1.4762 -0.5156 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8842 -0.2745 -0.0045 C 0 0 2 0 0 0 0 0 0 0 0 0
1.7892 -0.9061 -0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1603 -1.1517 1.0714 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9926 0.7769 -0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2328 0.1085 -0.2614 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1017 -1.8528 -0.0443 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8294 1.5800 0.0611 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6200 -0.0374 -1.7429 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4391 1.9417 -0.3058 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1334 -1.2087 1.2144 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8241 1.4482 -1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1182 1.3834 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3093 -0.3449 -1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 1 1 0 0 0
5 3 1 0 0 0 0
6 9 1 0 0 0 0
6 7 1 1 0 0 0
6 3 1 0 0 0 0
8 6 1 0 0 0 0
9 10 1 1 0 0 0
11 20 1 0 0 0 0
11 9 1 0 0 0 0
12 13 1 6 0 0 0
12 9 1 0 0 0 0
12 14 1 0 0 0 0
14 21 1 0 0 0 0
15 12 1 0 0 0 0
15 23 1 0 0 0 0
16 15 1 0 0 0 0
17 2 1 0 0 0 0
18 5 1 0 0 0 0
19 8 1 0 0 0 0
22 15 1 0 0 0 0
24 16 1 0 0 0 0
M END
$$$$
</textarea>
<textarea style="display: none" id="mol2data">@<TRIPOS>MOLECULE
d-(+)-glucose
24 23 0 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 O -3.9862 -0.0915 -0.4753 O.2 1 UNL11111 -0.4322
2 C -3.1086 -0.7606 0.0104 C.2 1 UNL11111 0.3255
3 C -1.9542 -0.0724 0.7328 C.3 1 UNL11111 -0.0217
4 H -2.0091 -0.2416 1.8344 H 1 UNL11111 0.1622
5 O -2.0231 1.3296 0.5822 O.3 1 UNL11111 -0.5655
6 C -0.6215 -0.5963 0.1543 C.3 1 UNL11111 0.0640
7 H -0.3770 -1.6015 0.5802 H 1 UNL11111 0.1699
8 O -0.8043 -0.8528 -1.2167 O.3 1 UNL11111 -0.5538
9 C 0.5438 0.3873 0.3765 C.3 1 UNL11111 0.0837
10 H 0.5651 0.7638 1.4233 H 1 UNL11111 0.1495
11 O 0.4099 1.4762 -0.5156 O.3 1 UNL11111 -0.5765
12 C 1.8842 -0.2745 -0.0045 C.3 1 UNL11111 0.0788
13 H 1.7892 -0.9061 -0.9163 H 1 UNL11111 0.1445
14 O 2.1603 -1.1517 1.0714 O.3 1 UNL11111 -0.5735
15 C 2.9926 0.7769 -0.1479 C.3 1 UNL11111 -0.0509
16 O 4.2328 0.1085 -0.2614 O.3 1 UNL11111 -0.5508
17 H -3.1017 -1.8528 -0.0443 H 1 UNL11111 0.1348
18 H -2.8294 1.5800 0.0611 H 1 UNL11111 0.3529
19 H -0.6200 -0.0374 -1.7429 H 1 UNL11111 0.3423
20 H -0.4391 1.9417 -0.3058 H 1 UNL11111 0.3528
21 H 3.1334 -1.2087 1.2144 H 1 UNL11111 0.3446
22 H 2.8241 1.4482 -1.0081 H 1 UNL11111 0.1461
23 H 3.1182 1.3834 0.7690 H 1 UNL11111 0.1572
24 H 4.3093 -0.3449 -1.1240 H 1 UNL11111 0.3160
@<TRIPOS>BOND
1 19 8 1
2 8 6 1
3 24 16 1
4 22 15 1
5 13 12 1
6 11 20 1
7 11 9 1
8 1 2 2
9 16 15 1
10 15 12 1
11 15 23 1
12 17 2 1
13 12 9 1
14 12 14 1
15 2 3 1
16 18 5 1
17 6 9 1
18 6 7 1
19 6 3 1
20 9 10 1
21 5 3 1
22 3 4 1
23 14 21 1
</textarea>
<textarea style="display: none;" id="moldata_download"></textarea>
<textarea style="display: none" id="moldata_test">
RDKit 3D
2 1 0 0 0 0 0 0 0 0999 V2000
-1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
M END
$$$$
</textarea>
<textarea style="display: none" id='actinpdb'>REMARK AtomGroup 3UB5
ATOM 1 N ALA A 6 7.682 8.370 32.770 1.00 63.04 N
ATOM 2 CA ALA A 6 8.010 6.929 32.468 1.00 67.86 C
ATOM 3 C ALA A 6 6.741 6.026 32.534 1.00 64.92 C
ATOM 4 O ALA A 6 6.259 5.704 33.623 1.00 66.10 O
ATOM 5 CB ALA A 6 9.118 6.433 33.410 1.00 61.37 C
ATOM 6 N ALA A 7 6.196 5.625 31.381 1.00 61.49 N
ATOM 7 CA ALA A 7 4.845 5.004 31.352 1.00 56.55 C
ATOM 8 C ALA A 7 4.821 3.521 31.668 1.00 53.27 C
ATOM 9 O ALA A 7 5.766 2.783 31.360 1.00 44.93 O
ATOM 10 CB ALA A 7 4.138 5.256 30.025 1.00 53.38 C
ATOM 11 N LEU A 8 3.711 3.094 32.255 1.00 47.01 N
ATOM 12 CA LEU A 8 3.520 1.708 32.602 1.00 42.31 C
ATOM 13 C LEU A 8 2.553 1.028 31.653 1.00 41.50 C
ATOM 14 O LEU A 8 1.626 1.641 31.126 1.00 40.74 O
ATOM 15 CB LEU A 8 3.000 1.598 34.013 1.00 48.30 C
ATOM 16 CG LEU A 8 3.823 2.270 35.118 1.00 52.53 C
ATOM 17 CD1 LEU A 8 2.940 2.546 36.336 1.00 51.91 C
ATOM 18 CD2 LEU A 8 5.059 1.456 35.485 1.00 54.02 C
ATOM 19 N VAL A 9 2.788 -0.252 31.414 1.00 39.62 N
ATOM 20 CA VAL A 9 1.909 -1.027 30.550 1.00 38.49 C
ATOM 21 C VAL A 9 1.422 -2.149 31.418 1.00 38.41 C
ATOM 22 O VAL A 9 2.208 -2.757 32.119 1.00 40.90 O
ATOM 23 CB VAL A 9 2.627 -1.584 29.307 1.00 35.51 C
ATOM 24 CG1 VAL A 9 1.637 -2.292 28.398 1.00 36.21 C
ATOM 25 CG2 VAL A 9 3.292 -0.457 28.532 1.00 40.71 C
ATOM 26 N VAL A 10 0.111 -2.379 31.413 1.00 38.67 N
ATOM 27 CA VAL A 10 -0.510 -3.357 32.311 1.00 36.12 C
ATOM 28 C VAL A 10 -1.577 -4.030 31.497 1.00 34.59 C
ATOM 29 O VAL A 10 -2.613 -3.432 31.190 1.00 38.13 O
ATOM 30 CB VAL A 10 -1.171 -2.708 33.549 1.00 34.90 C
ATOM 31 CG1 VAL A 10 -1.833 -3.781 34.411 1.00 33.97 C
ATOM 32 CG2 VAL A 10 -0.181 -1.873 34.364 1.00 35.08 C
ATOM 33 N ASP A 11 -1.305 -5.266 31.150 1.00 35.15 N
ATOM 34 CA ASP A 11 -2.161 -6.090 30.327 1.00 37.43 C
ATOM 35 C ASP A 11 -2.790 -7.081 31.275 1.00 43.66 C
ATOM 36 O ASP A 11 -2.076 -7.833 31.956 1.00 50.64 O
ATOM 37 CB ASP A 11 -1.306 -6.835 29.309 1.00 34.98 C
ATOM 38 CG ASP A 11 -2.113 -7.799 28.436 1.00 36.88 C
ATOM 39 OD1 ASP A 11 -3.330 -7.584 28.266 1.00 34.18 O
ATOM 40 OD2 ASP A 11 -1.503 -8.782 27.916 1.00 38.39 O
ATOM 41 N ASN A 12 -4.118 -7.080 31.344 1.00 41.17 N
ATOM 42 CA ASN A 12 -4.819 -7.953 32.273 1.00 35.83 C
ATOM 43 C ASN A 12 -5.544 -9.095 31.593 1.00 35.93 C
ATOM 44 O ASN A 12 -6.690 -8.927 31.170 1.00 32.92 O
ATOM 45 CB ASN A 12 -5.829 -7.148 33.090 1.00 37.46 C
ATOM 46 CG ASN A 12 -5.201 -6.439 34.251 1.00 37.28 C
ATOM 47 OD1 ASN A 12 -5.452 -5.255 34.458 1.00 35.86 O
ATOM 48 ND2 ASN A 12 -4.389 -7.171 35.047 1.00 37.67 N
ATOM 49 N GLY A 13 -4.908 -10.260 31.504 1.00 33.76 N
ATOM 50 CA GLY A 13 -5.628 -11.432 31.047 1.00 36.20 C
ATOM 51 C GLY A 13 -6.555 -11.992 32.121 1.00 40.61 C
ATOM 52 O GLY A 13 -6.483 -11.597 33.298 1.00 42.04 O
ATOM 53 N SER A 14 -7.413 -12.933 31.729 1.00 40.20 N
ATOM 54 CA SER A 14 -8.217 -13.697 32.697 1.00 44.34 C
ATOM 55 C SER A 14 -7.402 -14.551 33.699 1.00 45.39 C
ATOM 56 O SER A 14 -7.819 -14.744 34.866 1.00 42.44 O
ATOM 57 CB SER A 14 -9.207 -14.592 31.959 1.00 45.71 C
ATOM 58 OG SER A 14 -10.104 -13.785 31.216 1.00 51.32 O
ATOM 59 N GLY A 15 -6.269 -15.068 33.225 1.00 42.65 N
ATOM 60 CA GLY A 15 -5.410 -15.948 34.003 1.00 46.28 C
ATOM 61 C GLY A 15 -4.126 -15.279 34.443 1.00 49.01 C
ATOM 62 O GLY A 15 -3.775 -15.390 35.627 1.00 47.78 O
ATOM 63 N MET A 16 -3.417 -14.606 33.508 1.00 53.15 N
ATOM 64 CA MET A 16 -2.149 -13.894 33.908 1.00 51.14 C
ATOM 65 C MET A 16 -2.126 -12.366 33.679 1.00 49.99 C
ATOM 66 O MET A 16 -2.402 -11.869 32.576 1.00 47.00 O
ATOM 67 CB MET A 16 -0.899 -14.506 33.243 1.00 53.49 C
ATOM 68 CG MET A 16 -0.720 -16.011 33.380 1.00 58.90 C
ATOM 69 SD MET A 16 -0.244 -16.480 35.055 1.00 60.59 S
ATOM 70 CE MET A 16 -0.833 -18.183 35.076 1.00 64.04 C
ATOM 71 N CYS A 17 -1.798 -11.639 34.736 1.00 43.79 N
ATOM 72 CA CYS A 17 -1.488 -10.224 34.645 1.00 41.68 C
ATOM 73 C CYS A 17 -0.011 -10.048 34.206 1.00 42.83 C
ATOM 74 O CYS A 17 0.886 -10.687 34.785 1.00 43.95 O
ATOM 75 CB CYS A 17 -1.766 -9.569 36.003 1.00 41.25 C
ATOM 76 SG CYS A 17 -1.419 -7.788 36.169 1.00 48.30 S
ATOM 77 N LYS A 18 0.221 -9.230 33.163 1.00 39.27 N
ATOM 78 CA LYS A 18 1.562 -8.910 32.600 1.00 38.27 C
ATOM 79 C LYS A 18 1.790 -7.411 32.727 1.00 39.38 C
ATOM 80 O LYS A 18 1.044 -6.635 32.137 1.00 40.35 O
ATOM 81 CB LYS A 18 1.645 -9.302 31.119 1.00 37.44 C
ATOM 82 CG LYS A 18 1.435 -10.789 30.858 1.00 36.71 C
ATOM 83 CD LYS A 18 0.462 -11.036 29.744 1.00 36.28 C
ATOM 84 CE LYS A 18 -0.606 -11.966 30.260 1.00 33.94 C
ATOM 85 NZ LYS A 18 -1.433 -12.382 29.111 1.00 38.21 N
ATOM 86 N ALA A 19 2.771 -7.004 33.532 1.00 38.38 N
ATOM 87 CA ALA A 19 3.039 -5.595 33.803 1.00 39.30 C
ATOM 88 C ALA A 19 4.483 -5.278 33.479 1.00 41.65 C
ATOM 89 O ALA A 19 5.359 -6.122 33.638 1.00 45.22 O
ATOM 90 CB ALA A 19 2.745 -5.258 35.248 1.00 38.63 C
ATOM 91 N GLY A 20 4.728 -4.072 32.993 1.00 41.02 N
ATOM 92 CA GLY A 20 6.067 -3.692 32.633 1.00 45.00 C
ATOM 93 C GLY A 20 6.218 -2.206 32.459 1.00 45.36 C
ATOM 94 O GLY A 20 5.328 -1.430 32.785 1.00 49.54 O
ATOM 95 N PHE A 21 7.370 -1.818 31.950 1.00 43.13 N
ATOM 96 CA PHE A 21 7.660 -0.446 31.654 1.00 41.21 C
ATOM 97 C PHE A 21 7.655 -0.357 30.133 1.00 41.85 C
ATOM 98 O PHE A 21 8.048 -1.309 29.444 1.00 46.73 O
ATOM 99 CB PHE A 21 9.021 -0.059 32.275 1.00 41.30 C
ATOM 100 CG PHE A 21 9.029 -0.053 33.782 1.00 40.64 C
ATOM 101 CD1 PHE A 21 9.184 -1.247 34.509 1.00 44.21 C
ATOM 102 CD2 PHE A 21 8.905 1.144 34.490 1.00 43.46 C
ATOM 103 CE1 PHE A 21 9.194 -1.248 35.897 1.00 40.82 C
ATOM 104 CE2 PHE A 21 8.924 1.158 35.887 1.00 42.64 C
ATOM 105 CZ PHE A 21 9.064 -0.042 36.589 1.00 44.74 C
ATOM 106 N ALA A 22 7.161 0.766 29.614 1.00 43.02 N
ATOM 107 CA ALA A 22 6.947 0.968 28.185 1.00 39.62 C
ATOM 108 C ALA A 22 8.276 1.185 27.471 1.00 41.49 C
ATOM 109 O ALA A 22 9.152 1.884 27.976 1.00 40.43 O
ATOM 110 CB ALA A 22 6.046 2.168 27.973 1.00 39.52 C
ATOM 111 N GLY A 23 8.431 0.592 26.296 1.00 39.88 N
ATOM 112 CA GLY A 23 9.744 0.580 25.646 1.00 42.97 C
ATOM 113 C GLY A 23 10.575 -0.660 25.971 1.00 44.87 C
ATOM 114 O GLY A 23 11.512 -0.968 25.243 1.00 45.32 O
ATOM 115 N ASP A 24 10.243 -1.374 27.050 1.00 41.11 N
ATOM 116 CA ASP A 24 10.908 -2.640 27.365 1.00 39.19 C
ATOM 117 C ASP A 24 10.398 -3.692 26.398 1.00 41.45 C
ATOM 118 O ASP A 24 9.280 -3.604 25.900 1.00 42.35 O
ATOM 119 CB ASP A 24 10.652 -3.079 28.820 1.00 41.45 C
ATOM 120 CG ASP A 24 11.368 -2.190 29.876 1.00 42.76 C
ATOM 121 OD1 ASP A 24 11.910 -1.094 29.566 1.00 46.83 O
ATOM 122 OD2 ASP A 24 11.408 -2.609 31.063 1.00 49.37 O
ATOM 123 N ASP A 25 11.231 -4.680 26.120 1.00 44.59 N
ATOM 124 CA ASP A 25 10.964 -5.663 25.086 1.00 47.18 C
ATOM 125 C ASP A 25 9.926 -6.646 25.546 1.00 44.89 C
ATOM 126 O ASP A 25 9.300 -7.300 24.715 1.00 47.72 O
ATOM 127 CB ASP A 25 12.218 -6.487 24.791 1.00 55.76 C
ATOM 128 CG ASP A 25 13.278 -5.711 24.062 1.00 64.09 C
ATOM 129 OD1 ASP A 25 12.935 -4.811 23.250 1.00 69.44 O
ATOM 130 OD2 ASP A 25 14.463 -6.023 24.308 1.00 62.39 O
ATOM 131 N ALA A 26 9.782 -6.771 26.865 1.00 41.07 N
ATOM 132 CA ALA A 26 8.959 -7.813 27.483 1.00 41.41 C
ATOM 133 C ALA A 26 8.492 -7.379 28.886 1.00 40.66 C
ATOM 134 O ALA A 26 9.145 -6.547 29.537 1.00 41.41 O
ATOM 135 CB ALA A 26 9.743 -9.122 27.537 1.00 42.47 C
ATOM 136 N PRO A 27 7.339 -7.892 29.343 1.00 40.65 N
ATOM 137 CA PRO A 27 6.857 -7.455 30.656 1.00 42.90 C
ATOM 138 C PRO A 27 7.879 -7.743 31.735 1.00 44.50 C
ATOM 139 O PRO A 27 8.449 -8.825 31.755 1.00 43.04 O
ATOM 140 CB PRO A 27 5.603 -8.316 30.891 1.00 42.17 C
ATOM 141 CG PRO A 27 5.644 -9.379 29.852 1.00 43.65 C
ATOM 142 CD PRO A 27 6.406 -8.826 28.692 1.00 42.06 C
ATOM 143 N ARG A 28 8.118 -6.795 32.627 1.00 46.36 N
ATOM 144 CA ARG A 28 9.015 -7.081 33.739 1.00 53.78 C
ATOM 145 C ARG A 28 8.257 -7.630 34.961 1.00 57.48 C
ATOM 146 O ARG A 28 8.430 -7.112 36.071 1.00 58.56 O
ATOM 147 CB ARG A 28 9.846 -5.842 34.090 1.00 57.21 C
ATOM 148 CG ARG A 28 11.332 -6.117 34.298 1.00 57.50 C
ATOM 149 CD ARG A 28 12.172 -4.936 33.820 1.00 63.12 C
ATOM 150 NE ARG A 28 11.935 -3.704 34.602 1.00 63.45 N
ATOM 151 CZ ARG A 28 12.706 -2.611 34.579 1.00 58.72 C
ATOM 152 NH1 ARG A 28 13.797 -2.549 33.825 1.00 60.99 N
ATOM 153 NH2 ARG A 28 12.394 -1.568 35.321 1.00 60.41 N
ATOM 154 N ALA A 29 7.434 -8.672 34.737 1.00 54.14 N
ATOM 155 CA ALA A 29 6.517 -9.303 35.741 1.00 53.06 C
ATOM 156 C ALA A 29 5.335 -9.985 35.073 1.00 53.17 C
ATOM 157 O ALA A 29 4.519 -9.330 34.438 1.00 54.52 O
ATOM 158 CB ALA A 29 5.987 -8.303 36.749 1.00 43.65 C
ATOM 159 N VAL A 30 5.248 -11.300 35.196 1.00 51.90 N
ATOM 160 CA VAL A 30 4.059 -12.020 34.739 1.00 51.88 C
ATOM 161 C VAL A 30 3.600 -12.933 35.864 1.00 54.65 C
ATOM 162 O VAL A 30 4.341 -13.809 36.289 1.00 64.79 O
ATOM 163 CB VAL A 30 4.320 -12.869 33.479 1.00 49.48 C
ATOM 164 CG1 VAL A 30 3.045 -13.603 33.062 1.00 48.10 C
ATOM 165 CG2 VAL A 30 4.891 -12.020 32.344 1.00 51.20 C
ATOM 166 N PHE A 31 2.380 -12.747 36.345 1.00 56.87 N
ATOM 167 CA PHE A 31 1.930 -13.503 37.501 1.00 59.64 C
ATOM 168 C PHE A 31 0.434 -13.826 37.489 1.00 59.04 C
ATOM 169 O PHE A 31 -0.365 -13.054 36.944 1.00 50.92 O
ATOM 170 CB PHE A 31 2.343 -12.785 38.796 1.00 64.97 C
ATOM 171 CG PHE A 31 1.799 -11.396 38.927 1.00 67.77 C
ATOM 172 CD1 PHE A 31 2.457 -10.318 38.345 1.00 72.90 C
ATOM 173 CD2 PHE A 31 0.634 -11.156 39.660 1.00 76.92 C
ATOM 174 CE1 PHE A 31 1.950 -9.026 38.468 1.00 75.62 C
ATOM 175 CE2 PHE A 31 0.123 -9.866 39.792 1.00 81.11 C
ATOM 176 CZ PHE A 31 0.786 -8.799 39.197 1.00 79.24 C
ATOM 177 N PRO A 32 0.043 -14.952 38.129 1.00 59.81 N
ATOM 178 CA PRO A 32 -1.360 -15.342 37.997 1.00 55.01 C
ATOM 179 C PRO A 32 -2.273 -14.262 38.572 1.00 54.18 C
ATOM 180 O PRO A 32 -1.904 -13.573 39.539 1.00 53.47 O
ATOM 181 CB PRO A 32 -1.447 -16.653 38.796 1.00 53.02 C
ATOM 182 CG PRO A 32 -0.370 -16.544 39.830 1.00 53.58 C
ATOM 183 CD PRO A 32 0.731 -15.709 39.204 1.00 57.44 C
ATOM 184 N SER A 33 -3.445 -14.117 37.959 1.00 54.87 N
ATOM 185 CA SER A 33 -4.386 -13.043 38.269 1.00 55.70 C
ATOM 186 C SER A 33 -5.368 -13.493 39.348 1.00 55.26 C
ATOM 187 O SER A 33 -6.571 -13.621 39.088 1.00 59.63 O
ATOM 188 CB SER A 33 -5.126 -12.610 36.980 1.00 60.68 C
ATOM 189 OG SER A 33 -6.283 -11.818 37.239 1.00 54.80 O
ATOM 190 N ILE A 34 -4.850 -13.751 40.552 1.00 54.51 N
ATOM 191 CA ILE A 34 -5.669 -14.282 41.657 1.00 51.40 C
ATOM 192 C ILE A 34 -5.565 -13.500 42.960 1.00 47.29 C
ATOM 193 O ILE A 34 -4.481 -13.026 43.321 1.00 46.62 O
ATOM 194 CB ILE A 34 -5.411 -15.777 41.931 1.00 52.48 C
ATOM 195 CG1 ILE A 34 -3.913 -16.054 42.087 1.00 56.20 C
ATOM 196 CG2 ILE A 34 -6.057 -16.621 40.841 1.00 53.88 C
ATOM 197 CD1 ILE A 34 -3.487 -17.470 41.735 1.00 58.60 C
ATOM 198 N VAL A 35 -6.709 -13.333 43.624 1.00 42.39 N
ATOM 199 CA VAL A 35 -6.743 -12.798 44.975 1.00 45.21 C
ATOM 200 C VAL A 35 -7.144 -13.937 45.934 1.00 46.61 C
ATOM 201 O VAL A 35 -8.105 -14.674 45.676 1.00 40.08 O
ATOM 202 CB VAL A 35 -7.673 -11.550 45.125 1.00 47.27 C
ATOM 203 CG1 VAL A 35 -7.649 -11.001 46.558 1.00 44.08 C
ATOM 204 CG2 VAL A 35 -7.280 -10.441 44.153 1.00 48.54 C
ATOM 205 N GLY A 36 -6.363 -14.093 47.008 1.00 50.84 N
ATOM 206 CA GLY A 36 -6.714 -14.970 48.138 1.00 51.51 C
ATOM 207 C GLY A 36 -7.086 -14.173 49.383 1.00 53.79 C
ATOM 208 O GLY A 36 -6.387 -13.224 49.774 1.00 50.65 O
ATOM 209 N ARG A 37 -8.213 -14.539 49.980 1.00 54.44 N
ATOM 210 CA ARG A 37 -8.609 -14.021 51.282 1.00 65.40 C
ATOM 211 C ARG A 37 -8.351 -15.145 52.318 1.00 71.24 C
ATOM 212 O ARG A 37 -8.130 -16.294 51.909 1.00 61.10 O
ATOM 213 CB ARG A 37 -10.093 -13.610 51.248 1.00 71.18 C
ATOM 214 CG ARG A 37 -10.497 -12.679 50.107 1.00 67.91 C
ATOM 215 CD ARG A 37 -9.724 -11.379 50.172 1.00 69.13 C
ATOM 216 NE ARG A 37 -10.178 -10.439 49.158 1.00 75.69 N
ATOM 217 CZ ARG A 37 -10.665 -9.229 49.417 1.00 76.00 C
ATOM 218 NH1 ARG A 37 -10.753 -8.802 50.680 1.00 69.61 N
ATOM 219 NH2 ARG A 37 -11.063 -8.447 48.410 1.00 67.35 N
ATOM 220 N PRO A 38 -8.393 -14.832 53.651 1.00 80.84 N
ATOM 221 CA PRO A 38 -8.044 -15.848 54.670 1.00 79.15 C
ATOM 222 C PRO A 38 -9.189 -16.856 54.935 1.00 78.62 C
ATOM 223 O PRO A 38 -10.332 -16.449 55.126 1.00 85.55 O
ATOM 224 CB PRO A 38 -7.736 -14.997 55.907 1.00 77.57 C
ATOM 225 CG PRO A 38 -8.571 -13.759 55.743 1.00 74.69 C
ATOM 226 CD PRO A 38 -8.915 -13.597 54.285 1.00 74.98 C
ATOM 227 N ARG A 39 -8.875 -18.153 54.954 1.00 81.32 N
ATOM 228 CA ARG A 39 -9.883 -19.220 54.790 1.00 88.40 C
ATOM 229 C ARG A 39 -10.214 -19.962 56.085 1.00 98.81 C
ATOM 230 O ARG A 39 -9.591 -20.982 56.405 1.00106.61 O
ATOM 231 CB ARG A 39 -9.422 -20.182 53.677 1.00 81.56 C
ATOM 232 CG ARG A 39 -10.097 -21.537 53.570 1.00 79.73 C
ATOM 233 CD ARG A 39 -9.039 -22.630 53.397 1.00 80.46 C
ATOM 234 NE ARG A 39 -8.408 -22.657 52.073 1.00 75.28 N
ATOM 235 CZ ARG A 39 -8.385 -23.714 51.259 1.00 74.08 C
ATOM 236 NH1 ARG A 39 -8.951 -24.860 51.620 1.00 66.06 N
ATOM 237 NH2 ARG A 39 -7.779 -23.630 50.079 1.00 75.48 N
ATOM 238 N HIS A 40 -11.210 -19.438 56.815 1.00113.61 N
ATOM 239 CA HIS A 40 -11.668 -19.991 58.108 1.00118.18 C
ATOM 240 C HIS A 40 -10.706 -19.729 59.245 1.00120.47 C
ATOM 241 O HIS A 40 -11.137 -19.353 60.342 1.00112.08 O
ATOM 242 CB HIS A 40 -11.986 -21.491 58.011 1.00110.67 C
ATOM 243 CG HIS A 40 -12.920 -21.985 59.088 1.00111.21 C
ATOM 244 ND1 HIS A 40 -14.073 -22.616 58.805 1.00113.48 N
ATOM 245 CD2 HIS A 40 -12.843 -21.903 60.484 1.00112.80 C
ATOM 246 CE1 HIS A 40 -14.705 -22.933 59.958 1.00114.10 C
ATOM 247 NE2 HIS A 40 -13.950 -22.496 60.983 1.00111.09 N
ATOM 248 N GLN A 41 -9.406 -19.906 58.976 1.00118.89 N
ATOM 249 CA GLN A 41 -8.340 -19.871 59.993 1.00121.00 C
ATOM 250 C GLN A 41 -8.256 -18.557 60.789 1.00127.35 C
ATOM 251 O GLN A 41 -8.318 -17.464 60.211 1.00126.14 O
ATOM 252 CB GLN A 41 -6.980 -20.260 59.379 1.00117.36 C
ATOM 253 CG GLN A 41 -6.482 -19.360 58.245 1.00122.05 C
ATOM 254 CD GLN A 41 -5.532 -18.256 58.707 1.00120.17 C
ATOM 255 OE1 GLN A 41 -5.121 -17.406 57.908 1.00117.91 O
ATOM 256 NE2 GLN A 41 -5.176 -18.266 59.993 1.00120.65 N
ATOM 257 N GLY A 42 -8.102 -18.693 62.113 1.00128.23 N
ATOM 258 CA GLY A 42 -8.205 -17.584 63.068 1.00113.93 C
ATOM 259 C GLY A 42 -7.026 -16.630 63.087 1.00114.36 C
ATOM 260 O GLY A 42 -6.010 -16.913 63.727 1.00107.44 O
ATOM 261 N VAL A 43 -7.190 -15.509 62.368 1.00125.27 N
ATOM 262 CA VAL A 43 -6.271 -14.335 62.341 1.00127.11 C
ATOM 263 C VAL A 43 -4.752 -14.658 62.269 1.00131.52 C
ATOM 264 O VAL A 43 -4.182 -14.697 61.174 1.00124.03 O
ATOM 265 CB VAL A 43 -6.634 -13.258 63.428 1.00123.63 C
ATOM 266 CG1 VAL A 43 -5.810 -11.987 63.259 1.00117.32 C
ATOM 267 CG2 VAL A 43 -8.114 -12.897 63.375 1.00114.75 C
ATOM 268 N MET A 44 -4.118 -14.903 63.420 1.00135.00 N
ATOM 269 CA MET A 44 -2.647 -15.006 63.516 1.00123.78 C
ATOM 270 C MET A 44 -2.053 -16.392 63.202 1.00119.30 C
ATOM 271 O MET A 44 -1.314 -16.531 62.225 1.00115.41 O
ATOM 272 CB MET A 44 -2.147 -14.492 64.877 1.00124.57 C
ATOM 273 CG MET A 44 -2.539 -15.347 66.078 1.00118.73 C
ATOM 274 SD MET A 44 -1.236 -15.440 67.330 1.00124.19 S
ATOM 275 CE MET A 44 0.228 -15.902 66.368 1.00115.34 C
ATOM 276 N VAL A 45 -2.355 -17.391 64.042 1.00118.37 N
ATOM 277 CA VAL A 45 -1.919 -18.789 63.830 1.00103.74 C
ATOM 278 C VAL A 45 -2.776 -19.449 62.740 1.00102.32 C
ATOM 279 O VAL A 45 -4.009 -19.323 62.721 1.00 97.99 O
ATOM 280 CB VAL A 45 -1.831 -19.638 65.139 1.00 94.71 C
ATOM 281 CG1 VAL A 45 -0.468 -19.470 65.817 1.00 82.56 C
ATOM 282 CG2 VAL A 45 -2.951 -19.282 66.108 1.00 94.89 C
ATOM 283 N GLY A 46 -2.086 -20.175 61.865 1.00 98.45 N
ATOM 284 CA GLY A 46 -2.475 -20.394 60.480 1.00 95.29 C
ATOM 285 C GLY A 46 -1.259 -19.807 59.781 1.00 98.52 C
ATOM 286 O GLY A 46 -0.250 -20.498 59.626 1.00 98.08 O
ATOM 287 N MET A 47 -1.359 -18.529 59.390 1.00104.04 N
ATOM 288 CA MET A 47 -0.219 -17.632 59.031 1.00109.93 C
ATOM 289 C MET A 47 -0.692 -16.260 58.538 1.00109.81 C
ATOM 290 O MET A 47 -0.176 -15.213 58.959 1.00100.54 O
ATOM 291 CB MET A 47 0.756 -18.236 58.001 1.00115.92 C
ATOM 292 CG MET A 47 2.110 -18.667 58.573 1.00121.93 C
ATOM 293 SD MET A 47 2.778 -17.645 59.922 1.00116.93 S
ATOM 294 CE MET A 47 3.003 -16.042 59.122 1.00117.74 C
ATOM 295 N GLY A 48 -1.674 -16.295 57.637 1.00115.27 N
ATOM 296 CA GLY A 48 -2.304 -15.105 57.082 1.00111.28 C
ATOM 297 C GLY A 48 -3.047 -14.260 58.098 1.00109.06 C
ATOM 298 O GLY A 48 -4.220 -14.503 58.392 1.00101.27 O
ATOM 299 N GLN A 49 -2.348 -13.265 58.637 1.00110.47 N
ATOM 300 CA GLN A 49 -2.964 -12.270 59.500 1.00105.57 C
ATOM 301 C GLN A 49 -3.727 -11.247 58.636 1.00 99.12 C
ATOM 302 O GLN A 49 -4.789 -10.754 59.035 1.00 91.06 O
ATOM 303 CB GLN A 49 -1.902 -11.607 60.386 1.00109.51 C
ATOM 304 CG GLN A 49 -2.305 -11.521 61.859 1.00118.39 C
ATOM 305 CD GLN A 49 -1.257 -10.880 62.765 1.00116.79 C
ATOM 306 OE1 GLN A 49 -0.129 -10.596 62.352 1.00117.47 O
ATOM 307 NE2 GLN A 49 -1.635 -10.653 64.020 1.00111.70 N
ATOM 308 N LYS A 50 -3.183 -10.970 57.446 1.00 91.59 N
ATOM 309 CA LYS A 50 -3.805 -10.118 56.420 1.00 82.76 C
ATOM 310 C LYS A 50 -5.202 -10.636 56.037 1.00 83.35 C
ATOM 311 O LYS A 50 -5.499 -11.814 56.243 1.00 85.16 O
ATOM 312 CB LYS A 50 -2.916 -10.105 55.173 1.00 72.79 C
ATOM 313 CG LYS A 50 -1.443 -9.803 55.430 1.00 72.25 C
ATOM 314 CD LYS A 50 -1.047 -8.450 54.844 1.00 74.80 C
ATOM 315 CE LYS A 50 0.421 -8.079 55.083 1.00 69.69 C
ATOM 316 NZ LYS A 50 1.399 -8.834 54.251 1.00 59.88 N
ATOM 317 N ASP A 51 -6.061 -9.770 55.491 1.00 78.74 N
ATOM 318 CA ASP A 51 -7.335 -10.238 54.896 1.00 77.67 C
ATOM 319 C ASP A 51 -7.299 -10.296 53.351 1.00 70.30 C
ATOM 320 O ASP A 51 -8.318 -10.522 52.690 1.00 67.09 O
ATOM 321 CB ASP A 51 -8.569 -9.474 55.435 1.00 77.54 C
ATOM 322 CG ASP A 51 -8.385 -7.959 55.445 1.00 85.78 C
ATOM 323 OD1 ASP A 51 -7.645 -7.418 54.582 1.00 90.07 O
ATOM 324 OD2 ASP A 51 -8.995 -7.307 56.323 1.00 80.19 O
ATOM 325 N SER A 52 -6.102 -10.129 52.800 1.00 66.27 N
ATOM 326 CA SER A 52 -5.902 -9.993 51.371 1.00 64.04 C
ATOM 327 C SER A 52 -4.517 -10.522 51.000 1.00 58.52 C
ATOM 328 O SER A 52 -3.536 -10.232 51.680 1.00 62.19 O
ATOM 329 CB SER A 52 -6.059 -8.510 50.997 1.00 65.62 C
ATOM 330 OG SER A 52 -5.338 -8.151 49.830 1.00 73.15 O
ATOM 331 N TYR A 53 -4.449 -11.293 49.920 1.00 58.66 N
ATOM 332 CA TYR A 53 -3.194 -11.859 49.398 1.00 61.44 C
ATOM 333 C TYR A 53 -3.304 -12.052 47.868 1.00 61.55 C
ATOM 334 O TYR A 53 -4.317 -12.603 47.403 1.00 56.23 O
ATOM 335 CB TYR A 53 -2.957 -13.235 50.028 1.00 62.48 C
ATOM 336 CG TYR A 53 -2.324 -13.279 51.413 1.00 71.29 C
ATOM 337 CD1 TYR A 53 -0.932 -13.185 51.565 1.00 74.19 C
ATOM 338 CD2 TYR A 53 -3.106 -13.479 52.567 1.00 70.80 C
ATOM 339 CE1 TYR A 53 -0.342 -13.256 52.815 1.00 77.15 C
ATOM 340 CE2 TYR A 53 -2.521 -13.549 53.824 1.00 75.59 C
ATOM 341 CZ TYR A 53 -1.137 -13.439 53.941 1.00 83.78 C
ATOM 342 OH TYR A 53 -0.518 -13.499 55.172 1.00 89.18 O
ATOM 343 N VAL A 54 -2.273 -11.655 47.096 1.00 58.26 N
ATOM 344 CA VAL A 54 -2.343 -11.674 45.598 1.00 57.05 C
ATOM 345 C VAL A 54 -1.229 -12.404 44.797 1.00 61.71 C
ATOM 346 O VAL A 54 -0.028 -12.262 45.091 1.00 60.14 O
ATOM 347 CB VAL A 54 -2.480 -10.242 45.022 1.00 52.66 C
ATOM 348 CG1 VAL A 54 -2.460 -10.257 43.496 1.00 50.60 C
ATOM 349 CG2 VAL A 54 -3.752 -9.575 45.531 1.00 52.52 C
ATOM 350 N GLY A 55 -1.638 -13.146 43.757 1.00 62.57 N
ATOM 351 CA GLY A 55 -0.715 -13.612 42.698 1.00 59.33 C
ATOM 352 C GLY A 55 0.068 -14.877 42.981 1.00 61.34 C
ATOM 353 O GLY A 55 -0.516 -15.949 43.182 1.00 64.73 O
ATOM 354 N ASP A 56 1.390 -14.762 42.999 1.00 56.93 N
ATOM 355 CA ASP A 56 2.242 -15.905 43.359 1.00 67.67 C
ATOM 356 C ASP A 56 2.283 -16.321 44.877 1.00 61.86 C
ATOM 357 O ASP A 56 2.271 -17.523 45.207 1.00 52.57 O
ATOM 358 CB ASP A 56 3.648 -15.735 42.761 1.00 70.22 C
ATOM 359 CG ASP A 56 3.790 -16.425 41.411 1.00 80.43 C
ATOM 360 OD1 ASP A 56 3.264 -17.556 41.253 1.00 73.65 O
ATOM 361 OD2 ASP A 56 4.439 -15.843 40.510 1.00 93.99 O
ATOM 362 N GLU A 57 2.324 -15.328 45.769 1.00 57.31 N
ATOM 363 CA GLU A 57 2.276 -15.565 47.210 1.00 60.27 C
ATOM 364 C GLU A 57 0.924 -16.129 47.635 1.00 63.71 C
ATOM 365 O GLU A 57 0.845 -16.885 48.609 1.00 62.17 O
ATOM 366 CB GLU A 57 2.580 -14.282 47.975 1.00 65.94 C
ATOM 367 CG GLU A 57 2.714 -14.462 49.489 1.00 70.00 C
ATOM 368 CD GLU A 57 2.590 -13.144 50.238 1.00 69.21 C
ATOM 369 OE1 GLU A 57 2.669 -12.091 49.564 1.00 63.04 O
ATOM 370 OE2 GLU A 57 2.417 -13.164 51.486 1.00 64.35 O
ATOM 371 N ALA A 58 -0.131 -15.752 46.902 1.00 65.81 N
ATOM 372 CA ALA A 58 -1.460 -16.369 47.041 1.00 63.36 C
ATOM 373 C ALA A 58 -1.449 -17.784 46.502 1.00 61.89 C
ATOM 374 O ALA A 58 -2.168 -18.629 47.028 1.00 61.59 O
ATOM 375 CB ALA A 58 -2.553 -15.557 46.346 1.00 62.22 C
ATOM 376 N GLN A 59 -0.649 -18.044 45.461 1.00 64.21 N
ATOM 377 CA GLN A 59 -0.521 -19.399 44.921 1.00 65.46 C
ATOM 378 C GLN A 59 0.174 -20.349 45.919 1.00 65.41 C
ATOM 379 O GLN A 59 -0.419 -21.353 46.377 1.00 67.60 O
ATOM 380 CB GLN A 59 0.167 -19.406 43.541 1.00 68.25 C
ATOM 381 CG GLN A 59 -0.765 -19.748 42.377 1.00 68.57 C
ATOM 382 CD GLN A 59 -1.590 -21.016 42.609 1.00 71.01 C
ATOM 383 OE1 GLN A 59 -1.032 -22.093 42.849 1.00 70.24 O
ATOM 384 NE2 GLN A 59 -2.926 -20.896 42.537 1.00 65.70 N
ATOM 385 N SER A 60 1.419 -20.016 46.247 1.00 64.31 N
ATOM 386 CA SER A 60 2.177 -20.675 47.320 1.00 63.91 C
ATOM 387 C SER A 60 1.392 -20.884 48.644 1.00 56.23 C
ATOM 388 O SER A 60 1.572 -21.898 49.297 1.00 55.00 O
ATOM 389 CB SER A 60 3.495 -19.925 47.572 1.00 66.60 C
ATOM 390 OG SER A 60 3.676 -19.685 48.953 1.00 71.74 O
ATOM 391 N LYS A 61 0.531 -19.944 49.023 1.00 50.72 N
ATOM 392 CA LYS A 61 -0.332 -20.101 50.205 1.00 50.29 C
ATOM 393 C LYS A 61 -1.758 -20.649 49.932 1.00 52.49 C
ATOM 394 O LYS A 61 -2.637 -20.537 50.787 1.00 48.17 O
ATOM 395 CB LYS A 61 -0.417 -18.791 51.006 1.00 46.72 C
ATOM 396 CG LYS A 61 0.924 -18.237 51.517 1.00 51.69 C
ATOM 397 CD LYS A 61 0.684 -17.199 52.633 1.00 54.68 C
ATOM 398 CE LYS A 61 1.788 -16.143 52.786 1.00 54.59 C
ATOM 399 NZ LYS A 61 3.194 -16.663 52.778 1.00 46.69 N
ATOM 400 N ARG A 62 -1.983 -21.251 48.761 1.00 58.35 N
ATOM 401 CA ARG A 62 -3.302 -21.859 48.395 1.00 65.12 C
ATOM 402 C ARG A 62 -4.193 -22.424 49.553 1.00 67.83 C
ATOM 403 O ARG A 62 -5.413 -22.159 49.599 1.00 63.15 O
ATOM 404 CB ARG A 62 -3.112 -22.905 47.276 1.00 63.29 C
ATOM 405 CG ARG A 62 -4.065 -24.096 47.294 1.00 63.78 C
ATOM 406 CD ARG A 62 -3.745 -25.045 46.152 1.00 70.45 C
ATOM 407 NE ARG A 62 -2.406 -25.669 46.206 1.00 72.35 N
ATOM 408 CZ ARG A 62 -1.284 -25.175 45.664 1.00 75.11 C
ATOM 409 NH1 ARG A 62 -1.276 -24.003 45.043 1.00 75.50 N
ATOM 410 NH2 ARG A 62 -0.143 -25.849 45.755 1.00 71.65 N
ATOM 411 N GLY A 63 -3.593 -23.203 50.463 1.00 60.67 N
ATOM 412 CA GLY A 63 -4.322 -23.716 51.627 1.00 62.70 C
ATOM 413 C GLY A 63 -4.349 -22.634 52.682 1.00 66.05 C
ATOM 414 O GLY A 63 -3.385 -21.887 52.812 1.00 69.61 O
ATOM 415 N ILE A 64 -5.440 -22.556 53.437 1.00 70.45 N
ATOM 416 CA ILE A 64 -5.740 -21.420 54.369 1.00 77.60 C
ATOM 417 C ILE A 64 -6.156 -20.120 53.651 1.00 75.96 C
ATOM 418 O ILE A 64 -6.408 -19.092 54.299 1.00 70.76 O
ATOM 419 CB ILE A 64 -4.688 -21.168 55.517 1.00 74.08 C
ATOM 420 CG1 ILE A 64 -3.431 -20.414 55.032 1.00 70.41 C
ATOM 421 CG2 ILE A 64 -4.375 -22.452 56.273 1.00 72.55 C
ATOM 422 CD1 ILE A 64 -3.317 -18.990 55.535 1.00 70.05 C
ATOM 423 N LEU A 65 -6.241 -20.197 52.319 1.00 74.49 N
ATOM 424 CA LEU A 65 -6.745 -19.106 51.471 1.00 66.56 C
ATOM 425 C LEU A 65 -7.911 -19.535 50.583 1.00 61.44 C
ATOM 426 O LEU A 65 -7.967 -20.665 50.091 1.00 55.54 O
ATOM 427 CB LEU A 65 -5.630 -18.501 50.613 1.00 60.55 C
ATOM 428 CG LEU A 65 -4.786 -17.396 51.246 1.00 57.08 C
ATOM 429 CD1 LEU A 65 -3.767 -17.973 52.202 1.00 57.41 C
ATOM 430 CD2 LEU A 65 -4.065 -16.623 50.160 1.00 59.46 C
ATOM 431 N THR A 66 -8.855 -18.618 50.419 1.00 62.77 N
ATOM 432 CA THR A 66 -9.903 -18.762 49.416 1.00 61.66 C
ATOM 433 C THR A 66 -9.459 -17.977 48.167 1.00 58.90 C
ATOM 434 O THR A 66 -9.383 -16.744 48.182 1.00 52.95 O
ATOM 435 CB THR A 66 -11.297 -18.332 49.956 1.00 61.11 C
ATOM 436 OG1 THR A 66 -11.611 -19.084 51.148 1.00 53.63 O
ATOM 437 CG2 THR A 66 -12.383 -18.577 48.900 1.00 58.12 C
ATOM 438 N LEU A 67 -9.137 -18.722 47.110 1.00 52.81 N
ATOM 439 CA LEU A 67 -8.602 -18.161 45.868 1.00 53.57 C
ATOM 440 C LEU A 67 -9.689 -17.807 44.866 1.00 51.57 C
ATOM 441 O LEU A 67 -10.509 -18.654 44.521 1.00 47.96 O
ATOM 442 CB LEU A 67 -7.622 -19.159 45.223 1.00 53.73 C
ATOM 443 CG LEU A 67 -6.093 -19.001 45.344 1.00 53.87 C
ATOM 444 CD1 LEU A 67 -5.644 -18.267 46.605 1.00 51.67 C
ATOM 445 CD2 LEU A 67 -5.374 -20.337 45.181 1.00 51.16 C
ATOM 446 N LYS A 68 -9.653 -16.555 44.399 1.00 55.25 N
ATOM 447 CA LYS A 68 -10.553 -16.001 43.367 1.00 58.90 C
ATOM 448 C LYS A 68 -9.779 -15.459 42.136 1.00 60.11 C
ATOM 449 O LYS A 68 -8.645 -14.966 42.273 1.00 52.59 O
ATOM 450 CB LYS A 68 -11.383 -14.848 43.955 1.00 56.03 C
ATOM 451 CG LYS A 68 -12.681 -15.247 44.620 1.00 56.20 C
ATOM 452 CD LYS A 68 -13.276 -14.060 45.372 1.00 57.74 C
ATOM 453 CE LYS A 68 -14.771 -14.257 45.648 1.00 60.02 C
ATOM 454 NZ LYS A 68 -15.062 -15.185 46.787 1.00 56.17 N
ATOM 455 N TYR A 69 -10.399 -15.563 40.948 1.00 59.88 N
ATOM 456 CA TYR A 69 -9.953 -14.837 39.722 1.00 56.49 C
ATOM 457 C TYR A 69 -10.914 -13.669 39.449 1.00 48.08 C
ATOM 458 O TYR A 69 -12.081 -13.906 39.131 1.00 41.57 O
ATOM 459 CB TYR A 69 -9.948 -15.739 38.476 1.00 56.25 C
ATOM 460 CG TYR A 69 -8.901 -16.836 38.430 1.00 66.63 C
ATOM 461 CD1 TYR A 69 -7.826 -16.771 37.533 1.00 70.47 C
ATOM 462 CD2 TYR A 69 -8.999 -17.963 39.254 1.00 70.72 C
ATOM 463 CE1 TYR A 69 -6.876 -17.786 37.475 1.00 65.92 C
ATOM 464 CE2 TYR A 69 -8.050 -18.976 39.202 1.00 70.00 C
ATOM 465 CZ TYR A 69 -6.995 -18.882 38.314 1.00 68.68 C
ATOM 466 OH TYR A 69 -6.062 -19.896 38.274 1.00 74.00 O
ATOM 467 N PRO A 70 -10.447 -12.404 39.578 1.00 44.72 N
ATOM 468 CA PRO A 70 -11.490 -11.388 39.373 1.00 42.17 C
ATOM 469 C PRO A 70 -11.833 -11.124 37.902 1.00 39.83 C
ATOM 470 O PRO A 70 -12.746 -10.337 37.647 1.00 43.25 O
ATOM 471 CB PRO A 70 -10.939 -10.134 40.086 1.00 40.98 C
ATOM 472 CG PRO A 70 -9.467 -10.384 40.283 1.00 43.22 C
ATOM 473 CD PRO A 70 -9.138 -11.812 39.915 1.00 42.92 C
ATOM 474 N ILE A 71 -11.160 -11.795 36.956 1.00 38.67 N
ATOM 475 CA ILE A 71 -11.434 -11.575 35.519 1.00 38.77 C
ATOM 476 C ILE A 71 -11.932 -12.837 34.837 1.00 40.19 C
ATOM 477 O ILE A 71 -11.373 -13.915 35.039 1.00 43.96 O
ATOM 478 CB ILE A 71 -10.193 -11.002 34.770 1.00 36.76 C
ATOM 479 CG1 ILE A 71 -9.930 -9.542 35.202 1.00 36.19 C
ATOM 480 CG2 ILE A 71 -10.367 -11.109 33.252 1.00 34.67 C
ATOM 481 CD1 ILE A 71 -8.526 -9.064 34.926 1.00 34.90 C
ATOM 482 N GLU A 72 -12.954 -12.695 34.002 1.00 41.45 N
ATOM 483 CA GLU A 72 -13.650 -13.839 33.422 1.00 44.50 C
ATOM 484 C GLU A 72 -14.053 -13.616 31.967 1.00 48.91 C
ATOM 485 O GLU A 72 -14.958 -12.824 31.679 1.00 48.48 O
ATOM 486 CB GLU A 72 -14.908 -14.068 34.244 1.00 53.45 C
ATOM 487 CG GLU A 72 -15.499 -15.467 34.219 1.00 60.27 C
ATOM 488 CD GLU A 72 -16.739 -15.557 35.104 1.00 65.55 C
ATOM 489 OE1 GLU A 72 -16.613 -15.258 36.336 1.00 58.74 O
ATOM 490 OE2 GLU A 72 -17.827 -15.910 34.550 1.00 56.53 O
ATOM 491 N HIS A 73 -13.408 -14.342 31.057 1.00 50.21 N
ATOM 492 CA HIS A 73 -13.590 -14.150 29.603 1.00 53.27 C
ATOM 493 C HIS A 73 -13.093 -12.790 29.168 1.00 49.93 C
ATOM 494 O HIS A 73 -13.594 -12.219 28.186 1.00 50.61 O
ATOM 495 CB HIS A 73 -15.056 -14.307 29.184 1.00 54.57 C
ATOM 496 CG HIS A 73 -15.607 -15.694 29.362 1.00 62.98 C
ATOM 497 ND1 HIS A 73 -14.853 -16.804 29.211 1.00 68.07 N
ATOM 498 CD2 HIS A 73 -16.909 -16.135 29.653 1.00 66.85 C
ATOM 499 CE1 HIS A 73 -15.623 -17.901 29.416 1.00 70.26 C
ATOM 500 NE2 HIS A 73 -16.882 -17.488 29.680 1.00 67.12 N
ATOM 501 N GLY A 74 -12.120 -12.252 29.912 1.00 44.44 N
ATOM 502 CA GLY A 74 -11.596 -10.916 29.670 1.00 39.18 C
ATOM 503 C GLY A 74 -12.250 -9.756 30.420 1.00 36.29 C
ATOM 504 O GLY A 74 -11.623 -8.720 30.607 1.00 33.47 O
ATOM 505 N ILE A 75 -13.497 -9.931 30.852 1.00 38.44 N
ATOM 506 CA ILE A 75 -14.293 -8.901 31.534 1.00 36.71 C
ATOM 507 C ILE A 75 -14.141 -8.939 33.052 1.00 36.61 C
ATOM 508 O ILE A 75 -14.246 -10.000 33.640 1.00 36.15 O
ATOM 509 CB ILE A 75 -15.767 -9.088 31.198 1.00 35.29 C
ATOM 510 CG1 ILE A 75 -15.993 -8.831 29.715 1.00 37.91 C
ATOM 511 CG2 ILE A 75 -16.640 -8.193 32.049 1.00 31.87 C
ATOM 512 CD1 ILE A 75 -16.338 -10.088 28.950 1.00 40.13 C
ATOM 513 N VAL A 76 -13.890 -7.790 33.684 1.00 34.70 N
ATOM 514 CA VAL A 76 -13.780 -7.763 35.147 1.00 35.51 C
ATOM 515 C VAL A 76 -15.123 -8.096 35.831 1.00 37.72 C
ATOM 516 O VAL A 76 -16.174 -7.582 35.445 1.00 36.97 O
ATOM 517 CB VAL A 76 -13.188 -6.447 35.662 1.00 33.54 C
ATOM 518 CG1 VAL A 76 -13.260 -6.380 37.191 1.00 36.41 C
ATOM 519 CG2 VAL A 76 -11.753 -6.300 35.180 1.00 33.91 C
ATOM 520 N THR A 77 -15.029 -8.952 36.856 1.00 40.88 N
ATOM 521 CA THR A 77 -16.122 -9.681 37.489 1.00 41.50 C
ATOM 522 C THR A 77 -16.297 -9.216 38.943 1.00 41.93 C
ATOM 523 O THR A 77 -17.413 -9.213 39.475 1.00 33.43 O
ATOM 524 CB THR A 77 -15.838 -11.213 37.369 1.00 45.70 C
ATOM 525 OG1 THR A 77 -16.715 -11.797 36.392 1.00 47.01 O
ATOM 526 CG2 THR A 77 -15.949 -11.972 38.709 1.00 41.90 C
ATOM 527 N ASN A 78 -15.187 -8.805 39.570 1.00 43.73 N
ATOM 528 CA ASN A 78 -15.246 -8.251 40.922 1.00 44.88 C
ATOM 529 C ASN A 78 -14.249 -7.121 41.172 1.00 40.66 C
ATOM 530 O ASN A 78 -13.017 -7.326 41.194 1.00 38.12 O
ATOM 531 CB ASN A 78 -15.134 -9.342 42.016 1.00 50.16 C
ATOM 532 CG ASN A 78 -15.011 -8.736 43.421 1.00 54.56 C
ATOM 533 OD1 ASN A 78 -13.984 -8.130 43.765 1.00 48.95 O
ATOM 534 ND2 ASN A 78 -16.077 -8.851 44.220 1.00 50.04 N
ATOM 535 N TRP A 79 -14.801 -5.930 41.381 1.00 38.56 N
ATOM 536 CA TRP A 79 -14.011 -4.712 41.414 1.00 42.35 C
ATOM 537 C TRP A 79 -13.176 -4.536 42.638 1.00 46.60 C
ATOM 538 O TRP A 79 -12.128 -3.878 42.586 1.00 49.48 O
ATOM 539 CB TRP A 79 -14.899 -3.509 41.138 1.00 43.53 C
ATOM 540 CG TRP A 79 -15.245 -3.509 39.668 1.00 42.38 C
ATOM 541 CD1 TRP A 79 -16.428 -3.925 39.063 1.00 39.58 C
ATOM 542 CD2 TRP A 79 -14.350 -3.159 38.558 1.00 39.78 C
ATOM 543 NE1 TRP A 79 -16.329 -3.839 37.694 1.00 40.00 N
ATOM 544 CE2 TRP A 79 -15.110 -3.383 37.331 1.00 39.29 C
ATOM 545 CE3 TRP A 79 -13.032 -2.714 38.466 1.00 38.68 C
ATOM 546 CZ2 TRP A 79 -14.563 -3.144 36.079 1.00 38.42 C
ATOM 547 CZ3 TRP A 79 -12.492 -2.468 37.202 1.00 37.65 C
ATOM 548 CH2 TRP A 79 -13.241 -2.690 36.036 1.00 36.28 C
ATOM 549 N ASP A 80 -13.625 -5.149 43.737 1.00 51.13 N
ATOM 550 CA ASP A 80 -12.839 -5.274 44.966 1.00 51.80 C
ATOM 551 C ASP A 80 -11.525 -6.038 44.788 1.00 49.47 C
ATOM 552 O ASP A 80 -10.482 -5.565 45.238 1.00 49.70 O
ATOM 553 CB ASP A 80 -13.662 -5.970 46.034 1.00 59.83 C
ATOM 554 CG ASP A 80 -14.486 -5.013 46.827 1.00 68.02 C
ATOM 555 OD1 ASP A 80 -13.944 -3.956 47.226 1.00 70.06 O
ATOM 556 OD2 ASP A 80 -15.673 -5.319 47.053 1.00 70.87 O
ATOM 557 N ASP A 81 -11.578 -7.216 44.155 1.00 44.66 N
ATOM 558 CA ASP A 81 -10.379 -7.997 43.872 1.00 45.32 C
ATOM 559 C ASP A 81 -9.448 -7.245 42.913 1.00 46.36 C
ATOM 560 O ASP A 81 -8.286 -6.973 43.257 1.00 46.17 O
ATOM 561 CB ASP A 81 -10.739 -9.358 43.292 1.00 48.63 C
ATOM 562 CG ASP A 81 -11.541 -10.222 44.258 1.00 60.98 C
ATOM 563 OD1 ASP A 81 -12.600 -10.744 43.823 1.00 72.29 O
ATOM 564 OD2 ASP A 81 -11.121 -10.398 45.435 1.00 57.22 O
ATOM 565 N MET A 82 -9.965 -6.886 41.729 1.00 42.99 N
ATOM 566 CA MET A 82 -9.182 -6.160 40.737 1.00 43.01 C
ATOM 567 C MET A 82 -8.350 -5.115 41.410 1.00 40.05 C
ATOM 568 O MET A 82 -7.131 -5.036 41.200 1.00 34.91 O
ATOM 569 CB MET A 82 -10.059 -5.484 39.697 1.00 43.25 C
ATOM 570 CG MET A 82 -10.239 -6.342 38.482 1.00 48.83 C
ATOM 571 SD MET A 82 -8.662 -6.871 37.840 1.00 51.48 S
ATOM 572 CE MET A 82 -8.396 -5.739 36.508 1.00 52.07 C
ATOM 573 N GLU A 83 -9.012 -4.327 42.251 1.00 42.52 N
ATOM 574 CA GLU A 83 -8.319 -3.230 42.911 1.00 45.89 C
ATOM 575 C GLU A 83 -7.023 -3.703 43.615 1.00 47.15 C
ATOM 576 O GLU A 83 -5.998 -3.015 43.576 1.00 54.78 O
ATOM 577 CB GLU A 83 -9.267 -2.496 43.836 1.00 46.96 C
ATOM 578 CG GLU A 83 -8.558 -1.562 44.797 1.00 48.14 C
ATOM 579 CD GLU A 83 -9.463 -0.461 45.263 1.00 52.57 C
ATOM 580 OE1 GLU A 83 -9.720 0.474 44.474 1.00 60.62 O
ATOM 581 OE2 GLU A 83 -9.925 -0.527 46.416 1.00 56.31 O
ATOM 582 N LYS A 84 -7.063 -4.894 44.209 1.00 48.22 N
ATOM 583 CA LYS A 84 -5.891 -5.465 44.893 1.00 50.91 C
ATOM 584 C LYS A 84 -4.860 -6.005 43.911 1.00 45.47 C
ATOM 585 O LYS A 84 -3.672 -5.983 44.207 1.00 45.22 O
ATOM 586 CB LYS A 84 -6.275 -6.596 45.876 1.00 54.83 C
ATOM 587 CG LYS A 84 -7.589 -6.419 46.614 1.00 57.02 C
ATOM 588 CD LYS A 84 -7.458 -5.562 47.862 1.00 60.22 C
ATOM 589 CE LYS A 84 -8.850 -5.209 48.360 1.00 56.65 C
ATOM 590 NZ LYS A 84 -8.848 -4.120 49.368 1.00 58.62 N
ATOM 591 N ILE A 85 -5.301 -6.511 42.760 1.00 43.53 N
ATOM 592 CA ILE A 85 -4.342 -6.879 41.700 1.00 45.88 C
ATOM 593 C ILE A 85 -3.522 -5.661 41.267 1.00 44.21 C
ATOM 594 O ILE A 85 -2.285 -5.667 41.250 1.00 40.30 O
ATOM 595 CB ILE A 85 -5.030 -7.469 40.451 1.00 42.57 C
ATOM 596 CG1 ILE A 85 -5.827 -8.721 40.853 1.00 40.23 C
ATOM 597 CG2 ILE A 85 -3.991 -7.678 39.350 1.00 38.92 C
ATOM 598 CD1 ILE A 85 -5.932 -9.782 39.784 1.00 37.49 C
ATOM 599 N TRP A 86 -4.231 -4.601 40.923 1.00 43.37 N
ATOM 600 CA TRP A 86 -3.544 -3.391 40.587 1.00 41.01 C
ATOM 601 C TRP A 86 -2.734 -2.906 41.762 1.00 43.73 C
ATOM 602 O TRP A 86 -1.586 -2.496 41.558 1.00 41.10 O
ATOM 603 CB TRP A 86 -4.516 -2.343 40.093 1.00 38.73 C
ATOM 604 CG TRP A 86 -5.116 -2.639 38.725 1.00 35.85 C
ATOM 605 CD1 TRP A 86 -4.481 -3.178 37.609 1.00 35.08 C
ATOM 606 CD2 TRP A 86 -6.486 -2.383 38.289 1.00 36.70 C
ATOM 607 NE1 TRP A 86 -5.344 -3.288 36.558 1.00 35.30 N
ATOM 608 CE2 TRP A 86 -6.556 -2.808 36.883 1.00 37.06 C
ATOM 609 CE3 TRP A 86 -7.619 -1.852 38.887 1.00 33.86 C
ATOM 610 CZ2 TRP A 86 -7.719 -2.698 36.140 1.00 35.59 C
ATOM 611 CZ3 TRP A 86 -8.793 -1.754 38.121 1.00 36.82 C
ATOM 612 CH2 TRP A 86 -8.846 -2.184 36.793 1.00 34.65 C
ATOM 613 N HIS A 87 -3.273 -2.972 42.993 1.00 45.28 N
ATOM 614 CA HIS A 87 -2.493 -2.498 44.165 1.00 49.71 C
ATOM 615 C HIS A 87 -1.203 -3.224 44.288 1.00 48.90 C
ATOM 616 O HIS A 87 -0.162 -2.611 44.509 1.00 45.19 O
ATOM 617 CB HIS A 87 -3.211 -2.640 45.493 1.00 50.95 C
ATOM 618 CG HIS A 87 -2.293 -2.450 46.684 1.00 57.72 C
ATOM 619 ND1 HIS A 87 -2.013 -1.228 47.202 1.00 59.33 N
ATOM 620 CD2 HIS A 87 -1.551 -3.374 47.430 1.00 56.43 C
ATOM 621 CE1 HIS A 87 -1.163 -1.363 48.241 1.00 57.60 C
ATOM 622 NE2 HIS A 87 -0.879 -2.678 48.378 1.00 61.66 N
ATOM 623 N HIS A 88 -1.291 -4.547 44.160 1.00 50.12 N
ATOM 624 CA HIS A 88 -0.136 -5.439 44.205 1.00 51.85 C
ATOM 625 C HIS A 88 0.758 -5.279 42.990 1.00 52.10 C
ATOM 626 O HIS A 88 1.978 -5.415 43.103 1.00 55.32 O
ATOM 627 CB HIS A 88 -0.609 -6.887 44.412 1.00 50.83 C
ATOM 628 CG HIS A 88 0.486 -7.934 44.309 1.00 55.07 C
ATOM 629 ND1 HIS A 88 1.232 -8.318 45.369 1.00 54.43 N
ATOM 630 CD2 HIS A 88 0.919 -8.709 43.218 1.00 55.03 C
ATOM 631 CE1 HIS A 88 2.115 -9.264 44.974 1.00 59.68 C
ATOM 632 NE2 HIS A 88 1.917 -9.507 43.659 1.00 56.79 N
ATOM 633 N THR A 89 0.185 -4.983 41.822 1.00 53.05 N
ATOM 634 CA THR A 89 1.010 -4.764 40.616 1.00 51.58 C
ATOM 635 C THR A 89 1.971 -3.590 40.789 1.00 50.64 C
ATOM 636 O THR A 89 3.160 -3.711 40.509 1.00 45.87 O
ATOM 637 CB THR A 89 0.166 -4.569 39.343 1.00 52.11 C
ATOM 638 OG1 THR A 89 -0.717 -5.683 39.197 1.00 54.37 O
ATOM 639 CG2 THR A 89 1.064 -4.501 38.100 1.00 50.90 C
ATOM 640 N PHE A 90 1.463 -2.465 41.271 1.00 47.98 N
ATOM 641 CA PHE A 90 2.318 -1.306 41.406 1.00 55.15 C
ATOM 642 C PHE A 90 3.352 -1.468 42.512 1.00 54.91 C
ATOM 643 O PHE A 90 4.519 -1.112 42.329 1.00 57.76 O
ATOM 644 CB PHE A 90 1.492 -0.061 41.675 1.00 55.36 C
ATOM 645 CG PHE A 90 0.481 0.236 40.609 1.00 59.06 C
ATOM 646 CD1 PHE A 90 0.878 0.418 39.281 1.00 58.63 C