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mathdoodle/$3DMol.d.ts

Last active January 3, 2021 11:37
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3Dmol Atoms
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$3DMol.d.ts
declare module 3DMol {
}
declare module '3dmol' {
export = 3DMol;
}
Raw
3Dmol.d.ts
declare module $3Dmol {
module Gradient {
class ROYGB {
constructor(range);
}
class RWB {
constructor(range);
}
class Sinebow {
constructor(range);
}
}
type ColorSpec = number | string;
interface LabelSpec {
font?: string;
fontSize?: number;
fontColor?: ColorSpec;
fontOpacity?: number;
borderThickness?: number;
borderColor?: ColorSpec;
borderOpacity?: string;
backgroundColor?: ColorSpec;
backgroundOpacity?: number;
position: {x: number; y: number; z: number};
inFront?: boolean;
showBackground?: boolean;
fixed?: boolean;
}
/**
* A renderable label
*/
class Label {
/**
* tag: Label text
* parameters: Label style and font specifications
*/
constructor(tag: string, parameters: LabelSpec);
}
class Vector3 {
constructor(x?: number, y?: number, z?: number);
}
class VolumeData {
constructor(str: string, format: string, options?: {});
}
interface ShapeSpec {
color?: ColorSpec;
alpha?: number;
wireframe?: boolean;
linewidth?: number;
clickable?: boolean;
callback?: () => any;
}
interface ArrowSpec extends ShapeSpec {
start?: Vector3;
end?: Vector3;
radius?: number;
radiusRatio?: number
mid?: number;
}
interface AtomSelectionSpec {
}
interface AtomSpec {
/**
* Parent residue name.
*/
resn?: string;
/**
*
*/
x: number;
y: number;
z: number;
color?: ColorSpec;
surfaceColor?: ColorSpec;
elem: string;
hetflag?: boolean;
chain?: string;
resi?: number;
icode?: number;
rescode?: number;
serial?: number;
atom?: string;
bonds: number[];
ss?: string;
singleBonds?: boolean;
bondOrder?: number[];
properties?: any;
b?: number;
pdbline?: string;
clickable?: boolean;
callback?: () => any;
invert?: boolean;
}
interface AtomStyleSpec {
}
interface CustomShapeSpec {
vertexArr: Vector3[];
normalArr: Vector3[];
faceArr: number[];
color: {r: number; g: number; b: number}[];
}
interface CylinderSpec extends ShapeSpec {
start?: Vector3;
end?: Vector3;
radius?: number;
fromCap?: boolean;
toCap?: boolean;
}
/**
* Isosurface style specification.
*/
interface IsoSurfaceSpec {
isoval: number;
color: ColorSpec;
opacity: number;
wireframe?: boolean;
linewidth?: number;
smoothness?: number;
sel?: AtomSelectionSpec;
coords?;
seldist?: number;
clickable?: boolean;
callback?: () => any;
}
interface LineSpec extends ShapeSpec {
/**
* The starting position (vector) of the line. Defaults to the origin.
*/
start?: Vector3;
/**
* The ending position (vector) of the line. Defaults to the origin.
*/
end?: Vector3;
}
interface SphereSpec extends ShapeSpec {
center: Vector3;
radius: number;
}
/**
* A group of related atoms.
*/
class GLModel {
constructor(mid?: number, defaultcolors?: number);
/**
* Add list of new atoms to the model. Adjust bonds appropriately.
*/
addAtoms(atoms: AtomSpec[]): void;
/**
* atom: atoms to
*/
addFrame(atom: AtomSpec);
/**
* Returns a list of atoms selected by sel.
*/
selectedAtoms(sel: AtomSelectionSpec): AtomSpec[];
/**
* Set atom style of selected atoms.
* sel:
* style:
* add: If true, add to current style, don't replace.'
*/
setStyle(sel: AtomSelectionSpec, style: AtomStyleSpec, add?: boolean): void;
/**
* Convert the model into an object in the format of a ChemDoodle JSON model.
* whether: or not to include style information. Defaults to false.
*/
toCDObject(whether?: boolean): Object;
/**
*
*/
vibrate(numFrames: number, amplitude): void;
}
class GLShape {
constructor(stylespec);
}
class GLViewer {
constructor(element, callback, defaultcolors);
addArrow(spec?: ArrowSpec): GLShape;
/**
* Create and add model to viewer. Given multimodel file and its format, all atoms are added to one model.
*/
addAsOneMolecule(data: string, format: string): GLModel;
/**
* Add custom shape component from user supplied function.
* spec: Style specification.
*/
addCustom(spec: CustomShapeSpec): GLShape;
/**
* Create and add cylinder shape.
* spec: Style specification.
*/
addCylinder(spec: CylinderSpec): GLShape;
/**
* Construct isosurface from volumetric data.
* data: volumetric data.
* spec: Shape style specification.
*/
addIsosurface(data: VolumeData, spec: IsoSurfaceSpec): GLShape;
/**
* Add label to viewer.
*/
addLabel(text: string, data: LabelSpec): Label;
/**
* Create and add line shape.
* spec: Style specification, can specify dashed, fashLength, and gapLength.
*/
addLine(spec?: LineSpec): GLShape;
/**
* Create and add model to viewer,
* given molecular data and its format (pdb, sdf, xyz, or mol2)
*/
addModel(data?: string, format?: string): GLModel;
addSphere(spec: SphereSpec);
/**
* Animate all models in viewer from their respective frames.
* interval: speed of animation e.g. 75.
* loop: 'backward', 'forward', or 'backAndForth'.
* reps: number of repetitions, 0 indicates infinite loop.
*/
animate(options: {interval?: number; loop?: string, reps?: number});
/**
* Returns the specified model.
* id: The identifier of the model. Defaults to the last model id.
*/
getModel(id?: number): GLModel;
/**
*
*/
render();
/**
* Rotate scene by angle degress around axis.
*/
rotate(angle: number, axis: string, animationFuration: number): void;
/**
* Returns a list of atoms selected by sel.
*/
selectedAtoms(sel?: AtomSelectionSpec): any[];
/**
* Sets the background color. Default is white.
* hex: Hexcode specified background color, or standard color spec.
* a: Alpha level. Default is 1.0
*/
setBackgroundColor(hex: number, a?: number): void;
/**
* Set viewer height
* h: Height in pixels.
*/
setHeight(h: number): void;
/**
* Modify existing labels' text.
*/
setLabelText(label: Label, text: string): Label;
/**
* Set view projection scheme. Either 'orthographic' or 'perspective'.
*/
setProjection(kind: string): void
/**
* Set style properties to all selected atoms.
* sel: Atom selection specification.
* style: Style spec to apply to specified atoms.
*/
setStyle(sel: AtomSelectionSpec, style: AtomStyleSpec);
/**
* Set viewer width.
* w: Width in pixels.
*/
setWidth(w: number): void;
/**
* Set global view styles.
*/
setViewStyle(options: {style?: string; color?: ColorSpec; width?: number});
stopAnimate(): void;
/**
* Translate the current view by x,y screen coordinates. This pans the camera rather than translating the model.
* x:
* y:
* animationDuration: The duration of the animation in milliseconds.
*/
translate(x: number, y: number, animationDuration?: number): void;
/**
* Zoom current view by a constant factor.
* factor: Magnification factor. Values greater than 1 will zoom in, less than one will zoom out. Default 2.
* animationDuration Denotes the duration of a zoom animation.
*/
zoom(factor?: number, animationDuration?: number): void;
zoomTo();
}
function createViewer(element, config): GLViewer;
/**
* Load a PDB/PubChem structure into existing viewer.
* Automatically calls 'zoomTo' and 'render' on viewer after loading model.
* query: String specifying pdb or pubchem id; must be prefaced with "pdb:" or "cid:", respectively.
* viewer: Add new model to existing viewer.
* options: Specify additional options.
* callback: Function to call with model as argument after data is loaded.
*/
function download(query: string, viewer: GLViewer, options: {}, callback: (model: GLModel) => any): GLModel;
function getPropertyRange(atoms, s: string): any;
}
Raw
README.md

Using External JavaScript from STEMCstudio

Overview

Suppose that your favorite JavaScript Library is on a Content Delivery Network (CDN). You would like to use it in STEMCstudio but it has no type information. What to do?

How to use JavaScript from a CDN in STEMCstudio

Let's suppose that we are using a CDN such as cdnjs. I decide that I want to use the 3DMol library. I find that the URL for the JavaScript is https://cdnjs.cloudflare.com/ajax/libs/3Dmol/1.0.6/3Dmol-min.js.

So the first thing that I do is add that to my index.html.

<!DOCTYPE html>
<html>
  <head>
    <!-- STYLES-MARKER -->
    <style>
    /* STYLE-MARKER */
    </style>
    <script src='https://jspm.io/system.js'></script>
    <!-- SHADERS-MARKER -->
    <!-- SCRIPTS-MARKER -->
    <script src='https://cdnjs.cloudflare.com/ajax/libs/3Dmol/1.0.6/3Dmol-min.js'></script>
  </head>
  <body>
    <script>
    // CODE-MARKER
    </script>
    <script>
        System.import('./index.js')
    </script>
  </body>
</html>

The Creating the 3DMol instance tutorial tells me that I also need to create a container tag in the HTML document to hold the visualization:

<!DOCTYPE html>
<html>
  <head>
    <!-- STYLES-MARKER -->
    <style>
    /* STYLE-MARKER */
    </style>
    <script src='https://jspm.io/system.js'></script>
    <!-- SHADERS-MARKER -->
    <!-- SCRIPTS-MARKER -->
    <script src='https://cdnjs.cloudflare.com/ajax/libs/3Dmol/1.0.6/3Dmol-min.js'></script>
  </head>
  <body>
    <div id="container-01" class="mol-container"></div>
    <script>
    // CODE-MARKER
    </script>
    <script>
        System.import('./index.js')
    </script>
  </body>
</html>

The tutorial would also like me to style the mol-container class and suggests I can do this in CSS or using an inline style. STEMCstudio supports CSS so I keep things tidy and put the styling there:

body {
    background-color: white;
}

.mol-container {
  width: 60%;
  height: 400px;
  position: relative;
}

The remaining part of the tutorial wants us to use the following JavaScript code

let element = $('#container-01');
let config = { backgroundColor: 'orange' };
let viewer = $3Dmol.createViewer( element, config );
viewer.addSphere({ radius: 10, color: 'green' });
viewer.zoomTo();
viewer.render();
viewer.zoom(0.8, 2000);

So we paste the previous code in index.ts and STEMCstudio tells that we have two errors:

  1. Cannot find name $.
  2. Cannot find name $3Dmol.

We recognize that the first error is because the global $ symbol refers to the JQuery library. An easy way to fix that is to go to the Settings (cogwheel icon) for our project and establish JQuery as a dependency (because JQuery is distributed with STEMCstudio). We could do the same thing by finding JQuery on a CDN.

We still have the second error because STEMCstudio does not have any type information for the 3DMol library. We will rectify this situation in a moment. However, first realize that the 3DMol library is already available because we added a script tag to our HTML file with a URL pointing to the appropropriate CDN location. So in theory, the program should execute despite the error.

Try Launch Program and verify that it does actually work!

How to get type information

It works, but the lack of type information in the index.ts editor causes an annoying error and there is no type-checking or context-sensitive help. To fix this we need to either find or define a TypeScript definition file d.ts for the 3DMol library.

Sadly, in this case, a search for 3DMol TypeScript d.ts comes up empty so we must write our own.

Creating a d.ts file.

To be consistent with the CDN, we decide to name our TypeScript definitions file for the 3DMol library as 3DMol.d.ts, and we start by putting the following code inside it:

declare module $3Dmol {
  function createViewer();
}

We now observe that the error in the index.ts file has changed to Supplied parameters fo not match any signature of call target. This is a good sign! We tweak our 3DMol.d.ts file a little...

declare module $3Dmol {
  function createViewer(element, config);
}

and the error has gone from the index.ts file.

A minimal d.ts file for this example.

The error has gone, but the editor is still not giving us much content assistance. For example, hovering the mouse over the viewer variable gives let viewer: any. We need to complete the 3DMol.d.ts file. I make a few more changes to get things going:

declare module $3Dmol {
  interface GLViewer {
    addSphere(options: {radius: number; color: string});
    render();
    zoom(a: number, b: number)
    zoomTo();
  }
  function createViewer(element, config): GLViewer;
}

We now have rudimantary content assist in the index.ts file (try hovering over various parts of the code, and/or pretend to start a new method call on the viewer to see if completions work).

Completing the d.ts file

Completing the d.ts file can be done in a number of ways. By following tutorials or examples we can complete the typings by example. Another way to work is by having knowledge of the JavaScript source code. However, it should be noted that the d.ts file need not conform to or expose every implementation detail and so the way that you define your d.ts file could be appropriate for usage of the library.

The TypeScript website also has comprehensive information on how to create a d.ts file.

I'm going to use the 3DMol Documentation to fill out some of the typings.

Credit for 3DMol.js

Nicholas Rego and David Koes

3Dmol.js: molecular visualization with WebGL

Bioinformatics (2015) 31 (8): 1322-1324

doi:10.1093/bioinformatics/btu829

Raw
Example.spec.ts
export default function() {
describe("...", function() {
it("should ...", function() {
expect(true).toBeTruthy()
})
})
}
Raw
index.html
<!DOCTYPE html>
<html>
<head>
<!-- STYLES-MARKER -->
<style>
/* STYLE-MARKER */
</style>
<script src='https://jspm.io/system.js'></script>
<!-- SHADERS-MARKER -->
<!-- SCRIPTS-MARKER -->
<script src='https://cdnjs.cloudflare.com/ajax/libs/3Dmol/1.0.6/3Dmol-nojquery.js'></script>
</head>
<body>
<textarea style="display: none;" id="test">
4
* (null), Energy -1000.0000000
N 0.000005 0.019779 -0.000003 -0.157114 0.000052 -0.012746
H 0.931955 -0.364989 0.000003 1.507100 -0.601158 -0.004108
H -0.465975 -0.364992 0.807088 0.283368 0.257996 -0.583024
H -0.465979 -0.364991 -0.807088 0.392764 0.342436 0.764260
</textarea>
<textarea style="display: none;" id="moldata">
HETATM 1 N UNK -1.365 -0.098 0.208 0.00 0.00 N
HETATM 2 N UNK 5.603 -0.475 -0.468 0.00 0.00 N
HETATM 3 N UNK 8.358 -1.608 0.358 0.00 0.00 N
HETATM 4 C UNK 1.542 0.213 2.404 0.00 0.00 C
HETATM 5 C UNK -0.902 -0.071 -1.018 0.00 0.00 C
HETATM 6 C UNK 5.025 -2.919 -0.883 0.00 0.00 C
HETATM 7 C UNK -0.523 0.007 1.256 0.00 0.00 C
HETATM 8 C UNK 0.842 0.090 1.085 0.00 0.00 C
HETATM 9 C UNK 2.868 0.118 -0.636 0.00 0.00 C
HETATM 10 C UNK 3.220 0.058 -1.968 0.00 0.00 C
HETATM 11 C UNK 2.236 0.016 -2.986 0.00 0.00 C
HETATM 12 C UNK 0.911 -0.024 -2.654 0.00 0.00 C
HETATM 13 C UNK 0.497 -0.002 -1.293 0.00 0.00 C
HETATM 14 C UNK 1.452 0.075 -0.235 0.00 0.00 C
HETATM 15 C UNK 5.988 -1.931 -0.248 0.00 0.00 C
HETATM 16 C UNK 7.428 -2.319 -0.605 0.00 0.00 C
HETATM 17 C UNK 8.818 -0.304 -0.272 0.00 0.00 C
HETATM 18 C UNK 7.744 0.799 -0.266 0.00 0.00 C
HETATM 19 C UNK 6.563 0.429 -1.154 0.00 0.00 C
HETATM 20 O UNK 4.476 1.483 0.995 0.00 0.00 O
HETATM 21 O UNK 4.006 -0.967 1.410 0.00 0.00 O
HETATM 22 S UNK 4.282 0.111 0.452 0.00 0.00 S
HETATM 23 H UNK 0.821 0.193 3.194 0.00 0.00 H
HETATM 24 H UNK 2.081 1.137 2.437 0.00 0.00 H
HETATM 25 H UNK 2.224 -0.603 2.523 0.00 0.00 H
HETATM 26 H UNK -1.567 -0.100 -1.806 0.00 0.00 H
HETATM 27 H UNK 4.020 -2.648 -0.634 0.00 0.00 H
HETATM 28 H UNK 5.230 -3.903 -0.516 0.00 0.00 H
HETATM 29 H UNK 5.146 -2.902 -1.946 0.00 0.00 H
HETATM 30 H UNK -0.911 0.026 2.212 0.00 0.00 H
HETATM 31 H UNK 4.219 0.043 -2.228 0.00 0.00 H
HETATM 32 H UNK 2.520 0.016 -3.978 0.00 0.00 H
HETATM 33 H UNK 0.201 -0.071 -3.401 0.00 0.00 H
HETATM 34 H UNK 5.918 -2.002 0.817 0.00 0.00 H
HETATM 35 H UNK 7.647 -2.019 -1.609 0.00 0.00 H
HETATM 36 H UNK 7.556 -3.379 -0.531 0.00 0.00 H
HETATM 37 H UNK 9.167 -2.199 0.552 0.00 0.00 H
HETATM 38 H UNK 9.097 -0.499 -1.287 0.00 0.00 H
HETATM 39 H UNK 9.638 0.055 0.315 0.00 0.00 H
HETATM 40 H UNK 8.178 1.709 -0.625 0.00 0.00 H
HETATM 41 H UNK 7.388 0.917 0.736 0.00 0.00 H
HETATM 42 H UNK 6.051 1.325 -1.436 0.00 0.00 H
HETATM 43 H UNK 6.946 -0.088 -2.009 0.00 0.00 H
CONECT 1 5
CONECT 1 5
CONECT 1 7
CONECT 2 15 19 22
CONECT 3 16 17 37
CONECT 4 8 23 24 25
CONECT 5 1
CONECT 5 1
CONECT 5 13 26
CONECT 6 15 27 28 29
CONECT 7 1
CONECT 7 8
CONECT 7 8
CONECT 7 30
CONECT 8 4
CONECT 8 7
CONECT 8 7
CONECT 8 14
CONECT 9 10
CONECT 9 10
CONECT 9 14 22
CONECT 10 9
CONECT 10 9
CONECT 10 11 31
CONECT 11 10
CONECT 11 12
CONECT 11 12
CONECT 11 32
CONECT 12 11
CONECT 12 11
CONECT 12 13 33
CONECT 13 5 12
CONECT 13 14
CONECT 13 14
CONECT 14 8 9
CONECT 14 13
CONECT 14 13
CONECT 15 2 6 16 34
CONECT 16 3 15 35 36
CONECT 17 3 18 38 39
CONECT 18 17 19 40 41
CONECT 19 2 18 42 43
CONECT 20 22
CONECT 20 22
CONECT 21 22
CONECT 21 22
CONECT 22 2 9
CONECT 22 20
CONECT 22 20
CONECT 22 21
CONECT 22 21
CONECT 23 4
CONECT 24 4
CONECT 25 4
CONECT 26 5
CONECT 27 6
CONECT 28 6
CONECT 29 6
CONECT 30 7
CONECT 31 10
CONECT 32 11
CONECT 33 12
CONECT 34 15
CONECT 35 16
CONECT 36 16
CONECT 37 3
CONECT 38 17
CONECT 39 17
CONECT 40 18
CONECT 41 18
CONECT 42 19
CONECT 43 19
END
</textarea>
<textarea style="display: none;" id="rec">
ATOM 1 N LYS A 1 3.398 9.981 10.408 1.00 30.48 N
ATOM 2 CA LYS A 1 2.459 10.365 9.364 1.00 28.03 C
ATOM 3 C LYS A 1 2.458 11.880 9.149 1.00 21.93 C
ATOM 4 O LYS A 1 2.481 12.672 10.100 1.00 14.10 O
ATOM 5 CB LYS A 1 1.026 9.935 9.695 1.00 30.54 C
ATOM 6 CG LYS A 1 0.028 10.169 8.558 1.00 37.93 C
ATOM 7 CD LYS A 1 -1.415 10.089 9.048 1.00 33.23 C
ATOM 8 CE LYS A 1 -2.357 10.822 8.082 1.00 32.17 C
ATOM 9 NZ LYS A 1 -3.661 10.090 8.025 1.00 31.92 N1+
ATOM 10 N VAL A 2 2.429 12.232 7.880 1.00 17.30 N
ATOM 11 CA VAL A 2 2.395 13.653 7.465 1.00 14.47 C
ATOM 12 C VAL A 2 0.977 13.868 6.903 1.00 17.58 C
ATOM 13 O VAL A 2 0.642 13.368 5.826 1.00 32.65 O
ATOM 14 CB VAL A 2 3.533 14.012 6.536 1.00 22.88 C
ATOM 15 CG1 VAL A 2 3.463 15.446 6.029 1.00 17.60 C
ATOM 16 CG2 VAL A 2 4.896 13.752 7.185 1.00 25.10 C
ATOM 17 N PHE A 3 0.202 14.602 7.679 1.00 24.88 N
ATOM 18 CA PHE A 3 -1.182 14.930 7.362 1.00 25.54 C
ATOM 19 C PHE A 3 -1.323 16.027 6.307 1.00 44.91 C
ATOM 20 O PHE A 3 -0.451 16.906 6.207 1.00 27.79 O
ATOM 21 CB PHE A 3 -1.912 15.431 8.640 1.00 24.13 C
ATOM 22 CG PHE A 3 -2.504 14.407 9.541 1.00 18.68 C
ATOM 23 CD1 PHE A 3 -1.727 13.761 10.505 1.00 18.71 C
ATOM 24 CD2 PHE A 3 -3.860 14.088 9.439 1.00 19.15 C
ATOM 25 CE1 PHE A 3 -2.303 12.797 11.353 1.00 26.64 C
ATOM 26 CE2 PHE A 3 -4.441 13.143 10.262 1.00 22.36 C
ATOM 27 CZ PHE A 3 -3.659 12.495 11.226 1.00 17.81 C
ATOM 28 N GLY A 4 -2.430 15.953 5.586 1.00 17.72 N
ATOM 29 CA GLY A 4 -2.751 16.990 4.552 1.00 31.68 C
ATOM 30 C GLY A 4 -3.547 18.053 5.370 1.00 17.02 C
ATOM 31 O GLY A 4 -4.114 17.681 6.421 1.00 17.27 O
ATOM 32 N ARG A 5 -3.566 19.276 4.911 1.00 23.79 N
ATOM 33 CA ARG A 5 -4.263 20.383 5.589 1.00 19.38 C
ATOM 34 C ARG A 5 -5.696 20.017 5.939 1.00 29.92 C
ATOM 35 O ARG A 5 -6.048 19.981 7.141 1.00 28.65 O
ATOM 36 CB ARG A 5 -4.202 21.690 4.772 1.00 15.01 C
ATOM 37 CG ARG A 5 -4.673 22.912 5.555 1.00 7.22 C
ATOM 38 CD ARG A 5 -4.468 24.256 4.862 1.00 32.04 C
ATOM 39 NE ARG A 5 -4.855 24.191 3.491 1.00 39.10 N
ATOM 40 CZ ARG A 5 -6.080 24.419 3.022 1.00 21.11 C
ATOM 41 NH1 ARG A 5 -7.143 24.794 3.846 1.00 36.18 N1+
ATOM 42 NH2 ARG A 5 -6.355 24.278 1.759 1.00 47.30 N
ATOM 43 N CYS A 6 -6.494 19.744 4.929 1.00 31.37 N
ATOM 44 CA CYS A 6 -7.927 19.378 5.088 1.00 32.81 C
ATOM 45 C CYS A 6 -8.096 18.138 5.922 1.00 19.65 C
ATOM 46 O CYS A 6 -8.951 18.087 6.840 1.00 24.72 O
ATOM 47 CB CYS A 6 -8.579 19.336 3.697 1.00 25.91 C
ATOM 48 SG CYS A 6 -8.763 21.096 3.142 1.00 29.62 S
ATOM 49 N GLU A 7 -7.275 17.144 5.630 1.00 19.41 N
ATOM 50 CA GLU A 7 -7.285 15.889 6.363 1.00 27.46 C
ATOM 51 C GLU A 7 -7.215 16.114 7.871 1.00 28.60 C
ATOM 52 O GLU A 7 -8.012 15.554 8.648 1.00 20.67 O
ATOM 53 CB GLU A 7 -6.066 15.041 5.997 1.00 16.86 C
ATOM 54 CG GLU A 7 -6.092 13.584 6.483 1.00 32.99 C
ATOM 55 CD GLU A 7 -4.912 12.777 5.999 1.00 31.30 C
ATOM 56 OE1 GLU A 7 -3.945 13.298 5.403 1.00 36.16 O
ATOM 57 OE2 GLU A 7 -5.039 11.570 6.267 1.00 35.15 O1-
ATOM 58 N LEU A 8 -6.242 16.934 8.265 1.00 20.93 N
ATOM 59 CA LEU A 8 -6.013 17.248 9.682 1.00 18.37 C
ATOM 60 C LEU A 8 -7.184 17.999 10.289 1.00 12.20 C
ATOM 61 O LEU A 8 -7.616 17.691 11.414 1.00 20.78 O
ATOM 62 CB LEU A 8 -4.660 17.985 9.810 1.00 18.37 C
ATOM 63 CG LEU A 8 -4.268 18.305 11.264 1.00 20.77 C
ATOM 64 CD1 LEU A 8 -3.830 17.042 12.004 1.00 18.41 C
ATOM 65 CD2 LEU A 8 -3.155 19.339 11.230 1.00 20.24 C
ATOM 66 N ALA A 9 -7.660 18.968 9.529 1.00 17.56 N
ATOM 67 CA ALA A 9 -8.796 19.804 9.923 1.00 18.32 C
ATOM 68 C ALA A 9 -9.964 18.897 10.316 1.00 13.30 C
ATOM 69 O ALA A 9 -10.573 19.060 11.379 1.00 23.27 O
ATOM 70 CB ALA A 9 -9.180 20.746 8.795 1.00 13.96 C
ATOM 71 N ALA A 10 -10.228 17.946 9.435 1.00 16.02 N
ATOM 72 CA ALA A 10 -11.317 16.976 9.620 1.00 26.28 C
ATOM 73 C ALA A 10 -11.109 16.094 10.836 1.00 18.11 C
ATOM 74 O ALA A 10 -12.067 15.806 11.580 1.00 19.85 O
ATOM 75 CB ALA A 10 -11.470 16.138 8.347 1.00 36.67 C
ATOM 76 N ALA A 11 -9.863 15.675 11.030 1.00 18.46 N
ATOM 77 CA ALA A 11 -9.506 14.804 12.157 1.00 18.53 C
ATOM 78 C ALA A 11 -9.631 15.520 13.489 1.00 30.31 C
ATOM 79 O ALA A 11 -10.005 14.871 14.489 1.00 27.18 O
ATOM 80 CB ALA A 11 -8.095 14.238 11.970 1.00 27.90 C
ATOM 81 N MET A 12 -9.311 16.812 13.470 1.00 31.55 N
ATOM 82 CA MET A 12 -9.395 17.605 14.721 1.00 21.54 C
ATOM 83 C MET A 12 -10.870 17.885 15.000 1.00 24.05 C
ATOM 84 O MET A 12 -11.287 17.772 16.171 1.00 31.91 O
ATOM 85 CB MET A 12 -8.543 18.869 14.648 1.00 17.89 C
ATOM 86 CG MET A 12 -7.064 18.516 14.692 1.00 22.50 C
ATOM 87 SD MET A 12 -6.103 20.049 14.352 1.00 29.85 S
ATOM 88 CE MET A 12 -4.578 19.646 15.242 1.00 17.96 C
ATOM 89 N LYS A 13 -11.596 18.234 13.953 1.00 18.15 N
ATOM 90 CA LYS A 13 -13.023 18.542 14.069 1.00127.09 C
ATOM 91 C LYS A 13 -13.771 17.375 14.721 1.00 18.36 C
ATOM 92 O LYS A 13 -14.599 17.649 15.599 1.00 27.01 O
ATOM 93 CB LYS A 13 -13.711 18.857 12.747 1.00 21.82 C
ATOM 94 CG LYS A 13 -15.156 19.324 12.916 1.00 31.61 C
ATOM 95 CD LYS A 13 -15.645 20.170 11.740 1.00 48.39 C
ATOM 96 CE LYS A 13 -17.165 20.161 11.585 1.00 40.36 C
ATOM 97 NZ LYS A 13 -17.710 21.469 11.195 1.00 48.69 N1+
ATOM 98 N ARG A 14 -13.457 16.179 14.269 1.00 17.18 N
ATOM 99 CA ARG A 14 -14.162 14.979 14.828 1.00 20.10 C
ATOM 100 C ARG A 14 -13.731 14.685 16.243 1.00 18.01 C
ATOM 101 O ARG A 14 -14.455 13.958 16.968 1.00 24.19 O
ATOM 102 CB ARG A 14 -14.020 13.803 13.875 1.00 29.88 C
ATOM 103 CG ARG A 14 -12.839 12.901 13.954 1.00 36.71 C
ATOM 104 CD ARG A 14 -12.910 11.727 13.024 1.00 44.24 C
ATOM 105 NE ARG A 14 -12.172 10.587 13.581 1.00 37.13 N
ATOM 106 CZ ARG A 14 -12.701 9.693 14.416 1.00 52.70 C
ATOM 107 NH1 ARG A 14 -13.949 9.785 14.880 1.00 46.44 N1+
ATOM 108 NH2 ARG A 14 -11.941 8.663 14.802 1.00 55.01 N
ATOM 109 N HIS A 15 -12.587 15.240 16.630 1.00 26.83 N
ATOM 110 CA HIS A 15 -12.049 15.016 17.991 1.00 28.16 C
ATOM 111 C HIS A 15 -12.395 16.120 18.963 1.00 30.65 C
ATOM 112 O HIS A 15 -11.824 16.172 20.073 1.00 27.86 O
ATOM 113 CB HIS A 15 -10.535 14.718 17.967 1.00 19.64 C
ATOM 114 CG HIS A 15 -10.263 13.295 17.556 1.00 23.18 C
ATOM 115 CD2 HIS A 15 -10.347 12.158 18.283 1.00 21.10 C
ATOM 116 ND1 HIS A 15 -9.862 12.914 16.302 1.00 27.92 N
ATOM 117 CE1 HIS A 15 -9.706 11.596 16.269 1.00 39.77 C
ATOM 118 NE2 HIS A 15 -9.998 11.124 17.457 1.00 35.82 N
ATOM 119 N GLY A 16 -13.328 16.985 18.604 1.00 27.63 N
ATOM 120 CA GLY A 16 -13.831 18.068 19.378 1.00 23.39 C
ATOM 121 C GLY A 16 -13.128 19.362 19.522 1.00 16.87 C
ATOM 122 O GLY A 16 -13.458 20.123 20.485 1.00 27.47 O
ATOM 123 N LEU A 17 -12.201 19.696 18.642 1.00 37.14 N
ATOM 124 CA LEU A 17 -11.434 20.948 18.708 1.00 14.44 C
ATOM 125 C LEU A 17 -12.055 22.161 18.086 1.00 32.89 C
ATOM 126 O LEU A 17 -11.646 23.281 18.560 1.00 27.57 O
ATOM 127 CB LEU A 17 -10.024 20.584 18.176 1.00 21.97 C
ATOM 128 CG LEU A 17 -8.872 20.544 19.155 1.00 24.88 C
ATOM 129 CD1 LEU A 17 -9.190 19.926 20.511 1.00 17.30 C
ATOM 130 CD2 LEU A 17 -7.752 19.706 18.493 1.00 41.85 C
ATOM 131 N ASP A 18 -12.959 22.067 17.140 1.00 31.38 N
ATOM 132 CA ASP A 18 -13.582 23.272 16.546 1.00 21.13 C
ATOM 133 C ASP A 18 -14.301 23.810 17.798 1.00 20.63 C
ATOM 134 O ASP A 18 -15.147 23.027 18.369 1.00 51.29 O
ATOM 135 CB ASP A 18 -14.452 22.997 15.329 1.00 27.25 C
ATOM 136 CG ASP A 18 -14.850 24.264 14.578 1.00 55.72 C
ATOM 137 OD1 ASP A 18 -14.376 25.407 14.944 1.00 33.04 O
ATOM 138 OD2 ASP A 18 -15.661 24.193 13.577 1.00 56.39 O1-
ATOM 139 N ASN A 19 -13.803 25.054 18.137 1.00 24.88 N
ATOM 140 CA ASN A 19 -14.272 25.952 19.168 1.00 27.40 C
ATOM 141 C ASN A 19 -14.105 25.411 20.624 1.00 18.01 C
ATOM 142 O ASN A 19 -14.851 25.794 21.537 1.00 24.33 O
ATOM 143 CB ASN A 19 -15.686 26.289 18.885 1.00 22.33 C
ATOM 144 CG ASN A 19 -15.631 27.246 17.681 1.00 25.42 C
ATOM 145 ND2 ASN A 19 -16.691 27.965 17.361 1.00 59.81 N
ATOM 146 OD1 ASN A 19 -14.600 27.341 17.017 1.00 35.56 O
ATOM 147 N TYR A 20 -13.118 24.522 20.844 1.00 22.00 N
ATOM 148 CA TYR A 20 -12.849 24.016 22.223 1.00 18.92 C
ATOM 149 C TYR A 20 -12.197 25.178 22.995 1.00 42.49 C
ATOM 150 O TYR A 20 -11.094 25.632 22.656 1.00 30.71 O
ATOM 151 CB TYR A 20 -11.902 22.771 22.218 1.00 17.78 C
ATOM 152 CG TYR A 20 -11.730 22.105 23.637 1.00 23.82 C
ATOM 153 CD1 TYR A 20 -10.726 22.518 24.508 1.00 25.44 C
ATOM 154 CD2 TYR A 20 -12.580 21.063 24.072 1.00 21.69 C
ATOM 155 CE1 TYR A 20 -10.575 21.951 25.769 1.00 24.30 C
ATOM 156 CE2 TYR A 20 -12.424 20.495 25.336 1.00 25.56 C
ATOM 157 CZ TYR A 20 -11.422 20.946 26.182 1.00 25.28 C
ATOM 158 OH TYR A 20 -11.276 20.398 27.418 1.00 35.49 O
ATOM 159 N ARG A 21 -12.914 25.610 24.002 1.00 21.19 N
ATOM 160 CA ARG A 21 -12.522 26.730 24.885 1.00 13.01 C
ATOM 161 C ARG A 21 -12.444 28.038 24.102 1.00 18.13 C
ATOM 162 O ARG A 21 -11.603 28.931 24.380 1.00 30.30 O
ATOM 163 CB ARG A 21 -11.159 26.502 25.566 1.00 21.94 C
ATOM 164 CG ARG A 21 -11.203 25.441 26.689 1.00 39.03 C
ATOM 165 CD ARG A 21 -11.540 25.954 28.071 1.00 43.17 C
ATOM 166 NE ARG A 21 -11.271 24.928 29.097 1.00 46.07 N
ATOM 167 CZ ARG A 21 -12.052 24.684 30.153 1.00 69.47 C
ATOM 168 NH1 ARG A 21 -13.176 25.385 30.358 1.00 78.93 N1+
ATOM 169 NH2 ARG A 21 -11.795 23.745 31.074 1.00 47.31 N
ATOM 170 N GLY A 22 -13.302 28.174 23.110 1.00 35.06 N
ATOM 171 CA GLY A 22 -13.410 29.317 22.239 1.00 17.30 C
ATOM 172 C GLY A 22 -12.422 29.462 21.122 1.00 17.96 C
ATOM 173 O GLY A 22 -12.410 30.542 20.472 1.00 20.91 O
ATOM 174 N TYR A 23 -11.601 28.473 20.841 1.00 17.10 N
ATOM 175 CA TYR A 23 -10.603 28.509 19.769 1.00 25.24 C
ATOM 176 C TYR A 23 -11.100 27.804 18.506 1.00150.80 C
ATOM 177 O TYR A 23 -11.295 26.588 18.499 1.00 17.84 O
ATOM 178 CB TYR A 23 -9.269 27.884 20.235 1.00 17.90 C
ATOM 179 CG TYR A 23 -8.543 28.724 21.266 1.00 9.30 C
ATOM 180 CD1 TYR A 23 -7.725 29.793 20.890 1.00 11.51 C
ATOM 181 CD2 TYR A 23 -8.682 28.442 22.624 1.00 27.56 C
ATOM 182 CE1 TYR A 23 -7.065 30.564 21.844 1.00 20.21 C
ATOM 183 CE2 TYR A 23 -8.023 29.201 23.588 1.00 20.14 C
ATOM 184 CZ TYR A 23 -7.219 30.260 23.197 1.00 28.26 C
ATOM 185 OH TYR A 23 -6.587 30.977 24.183 1.00 18.35 O
ATOM 186 N SER A 24 -11.283 28.585 17.461 1.00 24.79 N
ATOM 187 CA SER A 24 -11.757 28.099 16.150 1.00 20.22 C
ATOM 188 C SER A 24 -10.750 27.119 15.543 1.00 20.78 C
ATOM 189 O SER A 24 -9.546 27.166 15.832 1.00 17.54 O
ATOM 190 CB SER A 24 -12.026 29.263 15.213 1.00 43.96 C
ATOM 191 OG SER A 24 -10.826 29.919 14.829 1.00 27.73 O
ATOM 192 N LEU A 25 -11.264 26.238 14.690 1.00 22.79 N
ATOM 193 CA LEU A 25 -10.514 25.211 14.000 1.00 16.06 C
ATOM 194 C LEU A 25 -9.248 25.717 13.310 1.00 13.32 C
ATOM 195 O LEU A 25 -8.223 25.012 13.306 1.00 11.01 O
ATOM 196 CB LEU A 25 -11.407 24.495 12.955 1.00 22.93 C
ATOM 197 CG LEU A 25 -11.424 22.987 12.915 1.00 31.28 C
ATOM 198 CD1 LEU A 25 -12.227 22.493 11.690 1.00 24.34 C
ATOM 199 CD2 LEU A 25 -10.016 22.407 12.845 1.00 33.61 C
ATOM 200 N GLY A 26 -9.360 26.902 12.732 1.00 17.82 N
ATOM 201 CA GLY A 26 -8.233 27.525 12.032 1.00 20.20 C
ATOM 202 C GLY A 26 -7.042 27.685 12.966 1.00 12.49 C
ATOM 203 O GLY A 26 -5.894 27.551 12.502 1.00 21.63 O
ATOM 204 N ASN A 27 -7.290 27.967 14.234 1.00 11.91 N
ATOM 205 CA ASN A 27 -6.248 28.148 15.252 1.00 18.61 C
ATOM 206 C ASN A 27 -5.381 26.889 15.427 1.00 7.63 C
ATOM 207 O ASN A 27 -4.145 26.962 15.388 1.00 18.08 O
ATOM 208 CB ASN A 27 -6.842 28.585 16.616 1.00 30.68 C
ATOM 209 CG ASN A 27 -7.205 30.062 16.574 1.00 15.10 C
ATOM 210 ND2 ASN A 27 -8.512 30.328 16.590 1.00 25.27 N
ATOM 211 OD1 ASN A 27 -6.326 30.918 16.517 1.00 17.09 O
ATOM 212 N TRP A 28 -6.040 25.771 15.621 1.00 18.41 N
ATOM 213 CA TRP A 28 -5.438 24.457 15.817 1.00 20.31 C
ATOM 214 C TRP A 28 -4.647 23.992 14.607 1.00 15.94 C
ATOM 215 O TRP A 28 -3.528 23.467 14.769 1.00 16.27 O
ATOM 216 CB TRP A 28 -6.531 23.402 16.196 1.00 16.00 C
ATOM 217 CG TRP A 28 -7.210 23.772 17.474 1.00 15.93 C
ATOM 218 CD1 TRP A 28 -8.449 24.336 17.632 1.00 11.52 C
ATOM 219 CD2 TRP A 28 -6.664 23.615 18.793 1.00 20.92 C
ATOM 220 CE2 TRP A 28 -7.626 24.099 19.702 1.00 14.35 C
ATOM 221 CE3 TRP A 28 -5.458 23.100 19.274 1.00 13.05 C
ATOM 222 NE1 TRP A 28 -8.698 24.533 18.974 1.00 24.17 N
ATOM 223 CZ2 TRP A 28 -7.416 24.089 21.073 1.00 12.68 C
ATOM 224 CZ3 TRP A 28 -5.248 23.093 20.634 1.00 15.34 C
ATOM 225 CH2 TRP A 28 -6.206 23.578 21.521 1.00 14.37 C
ATOM 226 N VAL A 29 -5.220 24.175 13.432 1.00 12.31 N
ATOM 227 CA VAL A 29 -4.550 23.757 12.174 1.00 18.06 C
ATOM 228 C VAL A 29 -3.291 24.587 11.975 1.00 16.99 C
ATOM 229 O VAL A 29 -2.215 24.068 11.637 1.00 18.28 O
ATOM 230 CB VAL A 29 -5.553 23.795 11.004 1.00 14.78 C
ATOM 231 CG1 VAL A 29 -4.927 23.574 9.645 1.00 17.35 C
ATOM 232 CG2 VAL A 29 -6.684 22.783 11.208 1.00 13.42 C
ATOM 233 N CYS A 30 -3.435 25.877 12.197 1.00 10.19 N
ATOM 234 CA CYS A 30 -2.341 26.836 12.062 1.00 17.64 C
ATOM 235 C CYS A 30 -1.221 26.491 13.042 1.00 21.81 C
ATOM 236 O CYS A 30 -0.044 26.499 12.661 1.00 14.08 O
ATOM 237 CB CYS A 30 -2.870 28.256 12.262 1.00 10.62 C
ATOM 238 SG CYS A 30 -1.542 29.505 12.045 1.00 19.07 S
ATOM 239 N ALA A 31 -1.615 26.199 14.277 1.00 19.96 N
ATOM 240 CA ALA A 31 -0.652 25.831 15.332 1.00 8.43 C
ATOM 241 C ALA A 31 0.115 24.567 14.913 1.00 13.53 C
ATOM 242 O ALA A 31 1.350 24.566 15.016 1.00 13.80 O
ATOM 243 CB ALA A 31 -1.345 25.629 16.657 1.00 9.87 C
ATOM 244 N ALA A 32 -0.591 23.543 14.456 1.00 17.96 N
ATOM 245 CA ALA A 32 0.023 22.275 14.023 1.00 15.96 C
ATOM 246 C ALA A 32 1.003 22.492 12.871 1.00 22.53 C
ATOM 247 O ALA A 32 2.105 21.905 12.831 1.00 20.61 O
ATOM 248 CB ALA A 32 -1.025 21.243 13.631 1.00 20.40 C
ATOM 249 N LYS A 33 0.605 23.332 11.939 1.00 15.87 N
ATOM 250 CA LYS A 33 1.411 23.673 10.775 1.00 6.64 C
ATOM 251 C LYS A 33 2.779 24.231 11.198 1.00 29.48 C
ATOM 252 O LYS A 33 3.813 23.738 10.729 1.00 21.25 O
ATOM 253 CB LYS A 33 0.745 24.701 9.864 1.00 11.25 C
ATOM 254 CG LYS A 33 1.643 25.227 8.730 1.00 35.21 C
ATOM 255 CD LYS A 33 1.957 24.153 7.694 1.00 20.85 C
ATOM 256 CE LYS A 33 3.065 24.586 6.746 1.00 25.78 C
ATOM 257 NZ LYS A 33 3.149 23.608 5.620 1.00 38.98 N1+
ATOM 258 N PHE A 34 2.715 25.242 12.046 1.00 13.85 N
ATOM 259 CA PHE A 34 3.988 25.898 12.488 1.00 15.43 C
ATOM 260 C PHE A 34 4.731 25.130 13.523 1.00 19.26 C
ATOM 261 O PHE A 34 5.999 25.307 13.572 1.00 24.46 O
ATOM 262 CB PHE A 34 3.701 27.391 12.771 1.00 11.42 C
ATOM 263 CG PHE A 34 3.282 28.101 11.497 1.00 20.32 C
ATOM 264 CD1 PHE A 34 4.070 28.036 10.343 1.00 20.54 C
ATOM 265 CD2 PHE A 34 2.097 28.821 11.488 1.00 11.51 C
ATOM 266 CE1 PHE A 34 3.665 28.687 9.177 1.00 22.73 C
ATOM 267 CE2 PHE A 34 1.680 29.478 10.336 1.00 20.23 C
ATOM 268 CZ PHE A 34 2.461 29.410 9.179 1.00 20.64 C
ATOM 269 N GLU A 35 4.070 24.294 14.287 1.00 21.55 N
ATOM 270 CA GLU A 35 4.773 23.503 15.304 1.00 11.54 C
ATOM 271 C GLU A 35 5.504 22.301 14.754 1.00 16.17 C
ATOM 272 O GLU A 35 6.674 22.101 15.131 1.00 22.50 O
ATOM 273 CB GLU A 35 3.794 23.011 16.373 1.00 9.86 C
ATOM 274 CG GLU A 35 3.339 23.995 17.450 1.00 24.06 C
ATOM 275 CD GLU A 35 4.384 24.636 18.305 1.00 19.92 C
ATOM 276 OE1 GLU A 35 5.546 24.201 18.417 1.00 33.80 O
ATOM 277 OE2 GLU A 35 3.979 25.666 18.907 1.00 20.07 O1-
ATOM 278 N SER A 36 4.846 21.516 13.913 1.00 19.87 N
ATOM 279 CA SER A 36 5.422 20.292 13.353 1.00 9.91 C
ATOM 280 C SER A 36 5.344 20.092 11.871 1.00 29.74 C
ATOM 281 O SER A 36 5.826 19.023 11.382 1.00 24.94 O
ATOM 282 CB SER A 36 4.688 19.107 14.061 1.00 29.55 C
ATOM 283 OG SER A 36 3.342 19.046 13.583 1.00 19.32 O
ATOM 284 N ASN A 37 4.788 21.010 11.128 1.00 17.91 N
ATOM 285 CA ASN A 37 4.627 20.925 9.674 1.00 22.19 C
ATOM 286 C ASN A 37 3.742 19.717 9.332 1.00 17.72 C
ATOM 287 O ASN A 37 3.907 19.012 8.327 1.00 19.64 O
ATOM 288 CB ASN A 37 5.973 20.929 8.941 1.00 20.13 C
ATOM 289 CG ASN A 37 5.787 21.439 7.519 1.00 16.58 C
ATOM 290 ND2 ASN A 37 6.620 20.948 6.617 1.00 51.08 N
ATOM 291 OD1 ASN A 37 4.894 22.257 7.256 1.00 50.79 O
ATOM 292 N PHE A 38 2.778 19.497 10.208 1.00 14.01 N
ATOM 293 CA PHE A 38 1.782 18.439 10.137 1.00 13.42 C
ATOM 294 C PHE A 38 2.354 17.026 10.229 1.00 10.00 C
ATOM 295 O PHE A 38 1.691 16.065 9.776 1.00 15.20 O
ATOM 296 CB PHE A 38 0.960 18.586 8.839 1.00 16.39 C
ATOM 297 CG PHE A 38 0.200 19.847 8.642 1.00 13.66 C
ATOM 298 CD1 PHE A 38 -0.421 20.514 9.697 1.00 16.84 C
ATOM 299 CD2 PHE A 38 0.086 20.374 7.344 1.00 18.67 C
ATOM 300 CE1 PHE A 38 -1.138 21.679 9.490 1.00 28.09 C
ATOM 301 CE2 PHE A 38 -0.636 21.557 7.116 1.00 26.09 C
ATOM 302 CZ PHE A 38 -1.240 22.202 8.198 1.00 27.35 C
ATOM 303 N ASN A 39 3.522 16.915 10.787 1.00 16.70 N
ATOM 304 CA ASN A 39 4.212 15.607 10.940 1.00 16.06 C
ATOM 305 C ASN A 39 4.038 15.113 12.367 1.00 10.80 C
ATOM 306 O ASN A 39 4.498 15.778 13.321 1.00 20.59 O
ATOM 307 CB ASN A 39 5.678 15.732 10.513 1.00 28.18 C
ATOM 308 CG ASN A 39 6.506 14.470 10.567 1.00 18.41 C
ATOM 309 ND2 ASN A 39 7.835 14.606 10.385 1.00 27.06 N
ATOM 310 OD1 ASN A 39 6.022 13.346 10.765 1.00 30.24 O
ATOM 311 N THR A 40 3.393 13.961 12.483 1.00 17.77 N
ATOM 312 CA THR A 40 3.143 13.348 13.783 1.00 16.90 C
ATOM 313 C THR A 40 4.438 12.872 14.447 1.00 23.60 C
ATOM 314 O THR A 40 4.425 12.739 15.689 1.00 17.65 O
ATOM 315 CB THR A 40 2.107 12.151 13.727 1.00 21.87 C
ATOM 316 CG2 THR A 40 0.745 12.505 13.131 1.00 12.98 C
ATOM 317 OG1 THR A 40 2.770 11.075 12.976 1.00 18.31 O
ATOM 318 N GLN A 41 5.471 12.630 13.657 1.00 13.63 N
ATOM 319 CA GLN A 41 6.748 12.129 14.208 1.00 9.23 C
ATOM 320 C GLN A 41 7.734 13.185 14.621 1.00 20.41 C
ATOM 321 O GLN A 41 8.859 12.819 15.091 1.00 23.98 O
ATOM 322 CB GLN A 41 7.406 11.148 13.191 1.00 14.66 C
ATOM 323 CG GLN A 41 6.556 9.876 12.994 1.00 19.36 C
ATOM 324 CD GLN A 41 7.343 8.787 12.286 1.00 20.86 C
ATOM 325 NE2 GLN A 41 7.134 8.675 10.977 1.00 25.41 N
ATOM 326 OE1 GLN A 41 8.133 8.055 12.877 1.00 30.75 O
ATOM 327 N ALA A 42 7.394 14.441 14.491 1.00 15.87 N
ATOM 328 CA ALA A 42 8.275 15.565 14.849 1.00 19.21 C
ATOM 329 C ALA A 42 8.685 15.583 16.321 1.00 11.94 C
ATOM 330 O ALA A 42 7.901 15.365 17.250 1.00 19.77 O
ATOM 331 CB ALA A 42 7.588 16.871 14.434 1.00 12.53 C
ATOM 332 N THR A 43 9.987 15.856 16.505 1.00 15.11 N
ATOM 333 CA THR A 43 10.590 15.957 17.834 1.00 5.61 C
ATOM 334 C THR A 43 11.619 17.095 17.803 1.00 29.78 C
ATOM 335 O THR A 43 12.291 17.288 16.776 1.00 25.85 O
ATOM 336 CB THR A 43 11.231 14.644 18.404 1.00 9.66 C
ATOM 337 CG2 THR A 43 10.267 13.485 18.623 1.00 16.52 C
ATOM 338 OG1 THR A 43 12.301 14.293 17.445 1.00 19.84 O
ATOM 339 N ASN A 44 11.708 17.793 18.917 1.00 25.48 N
ATOM 340 CA ASN A 44 12.646 18.904 19.089 1.00 19.32 C
ATOM 341 C ASN A 44 13.087 19.008 20.557 1.00 11.06 C
ATOM 342 O ASN A 44 12.240 19.075 21.454 1.00 23.76 O
ATOM 343 CB ASN A 44 12.034 20.219 18.596 1.00 23.24 C
ATOM 344 CG ASN A 44 11.975 20.294 17.074 1.00 43.73 C
ATOM 345 ND2 ASN A 44 10.759 20.196 16.528 1.00 31.01 N
ATOM 346 OD1 ASN A 44 13.008 20.426 16.405 1.00 28.50 O
ATOM 347 N ARG A 45 14.399 19.034 20.724 1.00 19.28 N
ATOM 348 CA ARG A 45 14.998 19.139 22.080 1.00 19.42 C
ATOM 349 C ARG A 45 15.208 20.611 22.422 1.00 45.70 C
ATOM 350 O ARG A 45 15.572 21.411 21.542 1.00 32.70 O
ATOM 351 CB ARG A 45 16.292 18.340 22.203 1.00 21.48 C
ATOM 352 CG ARG A 45 16.762 18.204 23.657 1.00 29.36 C
ATOM 353 CD ARG A 45 16.764 16.789 24.115 1.00 38.47 C
ATOM 354 NE ARG A 45 18.051 16.149 23.876 1.00 51.82 N
ATOM 355 CZ ARG A 45 18.787 15.530 24.792 1.00 51.54 C
ATOM 356 NH1 ARG A 45 18.256 14.858 25.806 1.00 35.24 N1+
ATOM 357 NH2 ARG A 45 20.125 15.582 24.693 1.00 68.38 N
ATOM 358 N ASN A 46 14.978 20.943 23.680 1.00 30.55 N
ATOM 359 CA ASN A 46 15.107 22.294 24.226 1.00 15.53 C
ATOM 360 C ASN A 46 16.316 22.388 25.185 1.00 17.11 C
ATOM 361 O ASN A 46 16.870 21.404 25.672 1.00 22.64 O
ATOM 362 CB ASN A 46 13.840 22.757 24.933 1.00 20.53 C
ATOM 363 CG ASN A 46 12.557 22.587 24.149 1.00 18.45 C
ATOM 364 ND2 ASN A 46 11.796 21.556 24.487 1.00 25.81 N
ATOM 365 OD1 ASN A 46 12.262 23.387 23.254 1.00 29.18 O
ATOM 366 N THR A 47 16.673 23.632 25.430 1.00 37.31 N
ATOM 367 CA THR A 47 17.780 24.037 26.288 1.00 42.32 C
ATOM 368 C THR A 47 17.702 23.496 27.703 1.00 26.46 C
ATOM 369 O THR A 47 18.752 23.188 28.308 1.00 31.83 O
ATOM 370 CB THR A 47 18.206 25.421 26.432 1.00 39.12 C
ATOM 371 CG2 THR A 47 19.085 25.584 25.184 1.00 34.48 C
ATOM 372 OG1 THR A 47 17.074 26.279 26.441 1.00 79.79 O
ATOM 373 N ASP A 48 16.500 23.394 28.224 1.00 20.36 N
ATOM 374 CA ASP A 48 16.260 22.893 29.588 1.00 18.05 C
ATOM 375 C ASP A 48 16.299 21.371 29.662 1.00 17.14 C
ATOM 376 O ASP A 48 15.989 20.825 30.749 1.00 37.57 O
ATOM 377 CB ASP A 48 14.937 23.479 30.127 1.00 17.79 C
ATOM 378 CG ASP A 48 13.717 22.902 29.424 1.00 19.29 C
ATOM 379 OD1 ASP A 48 13.792 22.540 28.239 1.00 33.66 O
ATOM 380 OD2 ASP A 48 12.680 22.814 30.115 1.00 39.51 O1-
ATOM 381 N GLY A 49 16.642 20.717 28.569 1.00 30.09 N
ATOM 382 CA GLY A 49 16.713 19.259 28.538 1.00 15.07 C
ATOM 383 C GLY A 49 15.415 18.553 28.252 1.00 14.45 C
ATOM 384 O GLY A 49 15.419 17.303 28.156 1.00 25.11 O
ATOM 385 N SER A 50 14.329 19.295 28.118 1.00 25.19 N
ATOM 386 CA SER A 50 13.012 18.708 27.804 1.00 13.38 C
ATOM 387 C SER A 50 12.991 18.538 26.261 1.00 20.56 C
ATOM 388 O SER A 50 13.878 19.074 25.569 1.00 19.17 O
ATOM 389 CB SER A 50 11.861 19.554 28.257 1.00 14.45 C
ATOM 390 OG SER A 50 11.951 20.816 27.558 1.00 17.17 O
ATOM 391 N THR A 51 12.011 17.829 25.779 1.00 19.46 N
ATOM 392 CA THR A 51 11.803 17.548 24.351 1.00 18.67 C
ATOM 393 C THR A 51 10.326 17.771 24.007 1.00 25.81 C
ATOM 394 O THR A 51 9.441 17.471 24.829 1.00 24.40 O
ATOM 395 CB THR A 51 12.278 16.114 23.936 1.00 15.62 C
ATOM 396 CG2 THR A 51 12.142 15.819 22.439 1.00 18.29 C
ATOM 397 OG1 THR A 51 13.672 16.018 24.385 1.00 17.72 O
ATOM 398 N ASP A 52 10.110 18.284 22.809 1.00 19.31 N
ATOM 399 CA ASP A 52 8.743 18.554 22.306 1.00 18.56 C
ATOM 400 C ASP A 52 8.371 17.378 21.383 1.00 15.39 C
ATOM 401 O ASP A 52 9.215 17.006 20.560 1.00 17.13 O
ATOM 402 CB ASP A 52 8.662 19.920 21.646 1.00 19.42 C
ATOM 403 CG ASP A 52 9.094 21.041 22.592 1.00 24.26 C
ATOM 404 OD1 ASP A 52 8.581 21.166 23.709 1.00 26.79 O
ATOM 405 OD2 ASP A 52 9.987 21.797 22.165 1.00 40.88 O1-
ATOM 406 N TYR A 53 7.155 16.856 21.542 1.00 13.19 N
ATOM 407 CA TYR A 53 6.700 15.733 20.759 1.00 21.90 C
ATOM 408 C TYR A 53 5.385 15.804 20.004 1.00 13.29 C
ATOM 409 O TYR A 53 4.344 16.246 20.492 1.00 20.11 O
ATOM 410 CB TYR A 53 6.521 14.491 21.738 1.00 14.24 C
ATOM 411 CG TYR A 53 7.761 14.043 22.444 1.00 28.43 C
ATOM 412 CD1 TYR A 53 8.158 14.629 23.653 1.00 28.00 C
ATOM 413 CD2 TYR A 53 8.565 13.015 21.920 1.00 18.73 C
ATOM 414 CE1 TYR A 53 9.313 14.222 24.318 1.00 17.97 C
ATOM 415 CE2 TYR A 53 9.723 12.600 22.576 1.00 40.49 C
ATOM 416 CZ TYR A 53 10.088 13.207 23.778 1.00 31.64 C
ATOM 417 OH TYR A 53 11.214 12.833 24.446 1.00 15.06 O
ATOM 418 N GLY A 54 5.443 15.295 18.779 1.00 18.64 N
ATOM 419 CA GLY A 54 4.356 15.177 17.859 1.00 20.67 C
ATOM 420 C GLY A 54 3.852 16.399 17.156 1.00 26.16 C
ATOM 421 O GLY A 54 4.443 17.481 17.133 1.00 20.29 O
ATOM 422 N ILE A 55 2.683 16.192 16.555 1.00 19.88 N
ATOM 423 CA ILE A 55 1.949 17.180 15.763 1.00 22.19 C
ATOM 424 C ILE A 55 1.747 18.493 16.493 1.00 22.67 C
ATOM 425 O ILE A 55 1.769 19.545 15.807 1.00 24.24 O
ATOM 426 CB ILE A 55 0.633 16.514 15.212 1.00 17.75 C
ATOM 427 CG1 ILE A 55 0.208 17.296 13.928 1.00 19.95 C
ATOM 428 CG2 ILE A 55 -0.484 16.392 16.265 1.00 18.12 C
ATOM 429 CD1 ILE A 55 0.130 16.394 12.672 1.00 27.47 C
ATOM 430 N LEU A 56 1.577 18.434 17.805 1.00 12.52 N
ATOM 431 CA LEU A 56 1.365 19.661 18.595 1.00 15.53 C
ATOM 432 C LEU A 56 2.559 20.009 19.459 1.00 17.70 C
ATOM 433 O LEU A 56 2.451 20.879 20.344 1.00 19.53 O
ATOM 434 CB LEU A 56 0.027 19.530 19.334 1.00 24.89 C
ATOM 435 CG LEU A 56 -1.238 19.818 18.538 1.00 26.49 C
ATOM 436 CD1 LEU A 56 -2.484 19.401 19.325 1.00 26.77 C
ATOM 437 CD2 LEU A 56 -1.311 21.308 18.216 1.00 27.25 C
ATOM 438 N GLN A 57 3.669 19.363 19.184 1.00 0.01 N
ATOM 439 CA GLN A 57 4.929 19.594 19.905 1.00 19.29 C
ATOM 440 C GLN A 57 4.712 19.825 21.400 1.00 18.00 C
ATOM 441 O GLN A 57 5.055 20.892 21.950 1.00 14.30 O
ATOM 442 CB GLN A 57 5.703 20.746 19.249 1.00 13.49 C
ATOM 443 CG GLN A 57 6.224 20.422 17.859 1.00 17.96 C
ATOM 444 CD GLN A 57 7.499 19.612 17.865 1.00 15.73 C
ATOM 445 NE2 GLN A 57 7.335 18.313 17.623 1.00 28.80 N
ATOM 446 OE1 GLN A 57 8.618 20.109 18.070 1.00 15.50 O
ATOM 447 N ILE A 58 4.156 18.812 22.031 1.00 17.34 N
ATOM 448 CA ILE A 58 3.858 18.795 23.499 1.00 10.53 C
ATOM 449 C ILE A 58 5.155 18.523 24.261 1.00 25.96 C
ATOM 450 O ILE A 58 5.928 17.606 23.925 1.00 11.21 O
ATOM 451 CB ILE A 58 2.678 17.828 23.741 1.00 14.67 C
ATOM 452 CG1 ILE A 58 1.370 18.522 23.203 1.00 15.03 C
ATOM 453 CG2 ILE A 58 2.499 17.354 25.200 1.00 14.49 C
ATOM 454 CD1 ILE A 58 0.319 17.497 22.715 1.00 25.96 C
ATOM 455 N ASN A 59 5.384 19.331 25.285 1.00 13.58 N
ATOM 456 CA ASN A 59 6.572 19.324 26.129 1.00 17.16 C
ATOM 457 C ASN A 59 6.624 18.291 27.240 1.00 18.04 C
ATOM 458 O ASN A 59 5.687 18.119 28.016 1.00 26.19 O
ATOM 459 CB ASN A 59 6.734 20.765 26.704 1.00 12.70 C
ATOM 460 CG ASN A 59 8.118 20.893 27.338 1.00 22.22 C
ATOM 461 ND2 ASN A 59 9.121 21.038 26.481 1.00 23.28 N
ATOM 462 OD1 ASN A 59 8.220 20.845 28.559 1.00 30.46 O
ATOM 463 N SER A 60 7.793 17.631 27.293 1.00 16.45 N
ATOM 464 CA SER A 60 8.090 16.578 28.244 1.00 13.55 C
ATOM 465 C SER A 60 8.325 17.026 29.679 1.00 9.45 C
ATOM 466 O SER A 60 8.308 16.135 30.572 1.00 29.91 O
ATOM 467 CB SER A 60 9.315 15.753 27.782 1.00 12.13 C
ATOM 468 OG SER A 60 10.496 16.513 27.965 1.00 13.84 O
ATOM 469 N ARG A 61 8.528 18.296 29.887 1.00 23.72 N
ATOM 470 CA ARG A 61 8.771 18.788 31.288 1.00 21.70 C
ATOM 471 C ARG A 61 7.458 18.931 32.020 1.00 40.59 C
ATOM 472 O ARG A 61 7.464 18.918 33.275 1.00 41.36 O
ATOM 473 CB ARG A 61 9.632 20.031 31.245 1.00 15.29 C
ATOM 474 CG ARG A 61 9.282 21.235 32.057 1.00 28.86 C
ATOM 475 CD ARG A 61 10.464 21.972 32.573 1.00 44.58 C
ATOM 476 NE ARG A 61 11.047 21.519 33.789 1.00 48.99 N
ATOM 477 CZ ARG A 61 12.351 21.292 33.901 1.00 77.96 C
ATOM 478 NH1 ARG A 61 13.174 21.471 32.859 1.00 65.45 N1+
ATOM 479 NH2 ARG A 61 12.948 20.887 35.030 1.00 78.64 N
ATOM 480 N TRP A 62 6.364 19.062 31.273 1.00 20.62 N
ATOM 481 CA TRP A 62 5.055 19.217 31.850 1.00 11.74 C
ATOM 482 C TRP A 62 3.973 18.210 31.573 1.00 11.87 C
ATOM 483 O TRP A 62 3.246 17.848 32.519 1.00 14.62 O
ATOM 484 CB TRP A 62 4.428 20.595 31.325 1.00 19.51 C
ATOM 485 CG TRP A 62 5.216 21.774 31.734 1.00 17.63 C
ATOM 486 CD1 TRP A 62 6.171 22.426 30.997 1.00 20.25 C
ATOM 487 CD2 TRP A 62 5.141 22.474 32.986 1.00 24.40 C
ATOM 488 CE2 TRP A 62 6.074 23.530 32.934 1.00 20.93 C
ATOM 489 CE3 TRP A 62 4.365 22.298 34.129 1.00 28.99 C
ATOM 490 NE1 TRP A 62 6.693 23.480 31.713 1.00 26.99 N
ATOM 491 CZ2 TRP A 62 6.256 24.408 33.993 1.00 35.07 C
ATOM 492 CZ3 TRP A 62 4.543 23.171 35.184 1.00 27.53 C
ATOM 493 CH2 TRP A 62 5.469 24.206 35.121 1.00 42.40 C
ATOM 494 N TRP A 63 3.840 17.811 30.313 1.00 18.83 N
ATOM 495 CA TRP A 63 2.759 16.929 29.894 1.00 12.32 C
ATOM 496 C TRP A 63 2.933 15.483 29.659 1.00 12.16 C
ATOM 497 O TRP A 63 1.889 14.762 29.725 1.00 23.23 O
ATOM 498 CB TRP A 63 2.175 17.617 28.556 1.00 26.09 C
ATOM 499 CG TRP A 63 2.032 19.096 28.722 1.00 16.64 C
ATOM 500 CD1 TRP A 63 2.779 20.076 28.146 1.00 14.96 C
ATOM 501 CD2 TRP A 63 1.071 19.768 29.560 1.00 25.68 C
ATOM 502 CE2 TRP A 63 1.303 21.153 29.429 1.00 26.11 C
ATOM 503 CE3 TRP A 63 0.047 19.318 30.386 1.00 35.45 C
ATOM 504 NE1 TRP A 63 2.352 21.320 28.567 1.00 23.15 N
ATOM 505 CZ2 TRP A 63 0.539 22.101 30.101 1.00 15.86 C
ATOM 506 CZ3 TRP A 63 -0.709 20.258 31.059 1.00 14.10 C
ATOM 507 CH2 TRP A 63 -0.472 21.619 30.925 1.00 9.23 C
ATOM 508 N CYS A 64 4.126 15.030 29.402 1.00 24.22 N
ATOM 509 CA CYS A 64 4.361 13.592 29.131 1.00 18.31 C
ATOM 510 C CYS A 64 5.708 13.156 29.640 1.00 14.22 C
ATOM 511 O CYS A 64 6.602 14.005 29.831 1.00 19.04 O
ATOM 512 CB CYS A 64 4.159 13.383 27.617 1.00 25.18 C
ATOM 513 SG CYS A 64 5.473 14.180 26.589 1.00 20.12 S
ATOM 514 N ASN A 65 5.842 11.857 29.852 1.00 32.37 N
ATOM 515 CA ASN A 65 7.081 11.256 30.348 1.00 14.08 C
ATOM 516 C ASN A 65 7.840 10.536 29.216 1.00 24.64 C
ATOM 517 O ASN A 65 7.290 9.702 28.492 1.00 20.68 O
ATOM 518 CB ASN A 65 6.797 10.327 31.528 1.00 18.27 C
ATOM 519 CG ASN A 65 8.050 9.876 32.252 1.00 17.73 C
ATOM 520 ND2 ASN A 65 9.071 10.728 32.321 1.00 30.67 N
ATOM 521 OD1 ASN A 65 8.096 8.742 32.763 1.00 49.21 O
ATOM 522 N ASP A 66 9.107 10.908 29.145 1.00 18.76 N
ATOM 523 CA ASP A 66 10.047 10.356 28.151 1.00 12.33 C
ATOM 524 C ASP A 66 11.259 9.723 28.842 1.00 28.71 C
ATOM 525 O ASP A 66 12.283 9.373 28.220 1.00 23.32 O
ATOM 526 CB ASP A 66 10.424 11.490 27.187 1.00 18.45 C
ATOM 527 CG ASP A 66 11.341 12.573 27.655 1.00 26.97 C
ATOM 528 OD1 ASP A 66 11.776 12.683 28.809 1.00 20.01 O
ATOM 529 OD2 ASP A 66 11.712 13.449 26.800 1.00 16.70 O1-
ATOM 530 N GLY A 67 11.142 9.607 30.142 1.00 22.01 N
ATOM 531 CA GLY A 67 12.109 9.069 31.062 1.00 15.42 C
ATOM 532 C GLY A 67 13.454 9.765 31.007 1.00 15.96 C
ATOM 533 O GLY A 67 14.441 9.171 31.502 1.00 42.63 O
ATOM 534 N ARG A 68 13.493 10.958 30.447 1.00 28.14 N
ATOM 535 CA ARG A 68 14.801 11.693 30.350 1.00 24.88 C
ATOM 536 C ARG A 68 14.718 13.141 30.734 1.00 29.46 C
ATOM 537 O ARG A 68 15.713 13.905 30.514 1.00 30.68 O
ATOM 538 CB ARG A 68 15.306 11.391 28.946 1.00 18.63 C
ATOM 539 CG ARG A 68 15.862 12.353 27.998 1.00 28.47 C
ATOM 540 CD ARG A 68 15.313 12.394 26.609 1.00 26.88 C
ATOM 541 NE ARG A 68 16.357 12.058 25.654 1.00 42.24 N
ATOM 542 CZ ARG A 68 16.575 12.611 24.456 1.00 31.62 C
ATOM 543 NH1 ARG A 68 15.805 13.645 23.964 1.00 30.17 N1+
ATOM 544 NH2 ARG A 68 17.545 12.177 23.661 1.00 34.78 N
ATOM 545 N THR A 69 13.618 13.586 31.305 1.00 21.58 N
ATOM 546 CA THR A 69 13.438 15.019 31.731 1.00 18.91 C
ATOM 547 C THR A 69 13.424 14.893 33.224 1.00 20.66 C
ATOM 548 O THR A 69 12.572 14.199 33.798 1.00 29.17 O
ATOM 549 CB THR A 69 12.240 15.694 31.010 1.00 23.71 C
ATOM 550 CG2 THR A 69 12.266 17.221 31.109 1.00 37.73 C
ATOM 551 OG1 THR A 69 12.251 15.358 29.630 1.00 21.71 O
ATOM 552 N PRO A 70 14.370 15.570 33.850 1.00 43.28 N
ATOM 553 CA PRO A 70 14.646 15.411 35.274 1.00 36.77 C
ATOM 554 C PRO A 70 13.450 15.572 36.182 1.00 56.49 C
ATOM 555 O PRO A 70 12.703 14.562 36.460 1.00 36.92 O
ATOM 556 CB PRO A 70 15.735 16.437 35.541 1.00 29.64 C
ATOM 557 CG PRO A 70 16.054 17.142 34.220 1.00 57.64 C
ATOM 558 CD PRO A 70 15.196 16.563 33.147 1.00 47.04 C
ATOM 559 N GLY A 71 13.265 16.739 36.667 1.00 48.58 N
ATOM 560 CA GLY A 71 12.153 17.009 37.554 1.00 47.42 C
ATOM 561 C GLY A 71 11.085 17.575 36.730 1.00 64.22 C
ATOM 562 O GLY A 71 11.157 18.930 36.678 1.00 58.77 O
ATOM 563 N SER A 72 10.281 16.405 36.219 1.00 41.70 N
ATOM 564 CA SER A 72 9.061 16.431 35.254 1.00 33.12 C
ATOM 565 C SER A 72 7.763 15.975 35.872 1.00 45.02 C
ATOM 566 O SER A 72 7.643 15.181 36.794 1.00 57.93 O
ATOM 567 CB SER A 72 9.385 15.661 33.954 1.00 39.32 C
ATOM 568 OG SER A 72 8.851 14.347 34.022 1.00 45.16 O
ATOM 569 N ARG A 73 6.748 16.585 35.273 1.00 22.25 N
ATOM 570 CA ARG A 73 5.337 16.364 35.609 1.00 25.70 C
ATOM 571 C ARG A 73 4.828 15.636 34.346 1.00 23.43 C
ATOM 572 O ARG A 73 5.383 15.876 33.255 1.00 47.20 O
ATOM 573 CB ARG A 73 4.552 17.592 35.926 1.00 30.54 C
ATOM 574 CG ARG A 73 5.238 18.732 36.657 1.00 28.31 C
ATOM 575 CD ARG A 73 5.146 18.606 38.142 1.00 48.24 C
ATOM 576 NE ARG A 73 4.535 19.789 38.740 1.00 45.57 N
ATOM 577 CZ ARG A 73 4.632 20.175 40.005 1.00 58.59 C
ATOM 578 NH1 ARG A 73 5.508 19.658 40.872 1.00 54.32 N1+
ATOM 579 NH2 ARG A 73 3.803 21.143 40.450 1.00 57.45 N
ATOM 580 N ASN A 74 3.865 14.826 34.585 1.00 24.93 N
ATOM 581 CA ASN A 74 3.268 14.009 33.457 1.00 25.81 C
ATOM 582 C ASN A 74 1.782 14.235 33.650 1.00 16.90 C
ATOM 583 O ASN A 74 1.048 13.330 34.036 1.00 32.04 O
ATOM 584 CB ASN A 74 3.839 12.645 33.640 1.00 27.50 C
ATOM 585 CG ASN A 74 3.716 11.603 32.595 1.00 34.93 C
ATOM 586 ND2 ASN A 74 3.574 11.996 31.348 1.00 35.72 N
ATOM 587 OD1 ASN A 74 3.748 10.383 32.888 1.00 34.34 O
ATOM 588 N LEU A 75 1.433 15.499 33.383 1.00 26.26 N
ATOM 589 CA LEU A 75 0.033 15.939 33.551 1.00 34.20 C
ATOM 590 C LEU A 75 -0.973 15.222 32.700 1.00 16.99 C
ATOM 591 O LEU A 75 -2.164 15.106 33.119 1.00 33.77 O
ATOM 592 CB LEU A 75 0.075 17.484 33.379 1.00 19.69 C
ATOM 593 CG LEU A 75 0.925 18.228 34.407 1.00 28.06 C
ATOM 594 CD1 LEU A 75 1.085 19.692 33.992 1.00 34.47 C
ATOM 595 CD2 LEU A 75 0.280 18.151 35.796 1.00 29.03 C
ATOM 596 N CYS A 76 -0.555 14.740 31.543 1.00 19.87 N
ATOM 597 CA CYS A 76 -1.480 14.014 30.648 1.00 31.75 C
ATOM 598 C CYS A 76 -1.405 12.517 30.947 1.00 14.54 C
ATOM 599 O CYS A 76 -2.141 11.748 30.320 1.00 29.19 O
ATOM 600 CB CYS A 76 -1.191 14.341 29.197 1.00 19.93 C
ATOM 601 SG CYS A 76 -1.493 16.115 28.770 1.00 16.67 S
ATOM 602 N ASN A 77 -0.531 12.163 31.876 1.00 23.61 N
ATOM 603 CA ASN A 77 -0.327 10.750 32.291 1.00 38.75 C
ATOM 604 C ASN A 77 -0.160 9.917 31.016 1.00 29.37 C
ATOM 605 O ASN A 77 -1.045 9.125 30.658 1.00 31.72 O
ATOM 606 CB ASN A 77 -1.445 10.270 33.211 1.00 41.76 C
ATOM 607 CG ASN A 77 -1.177 10.545 34.682 1.00 58.64 C
ATOM 608 ND2 ASN A 77 -0.194 9.850 35.255 1.00 68.24 N
ATOM 609 OD1 ASN A 77 -1.863 11.390 35.287 1.00 55.39 O
ATOM 610 N ILE A 78 0.979 10.148 30.353 1.00 23.49 N
ATOM 611 CA ILE A 78 1.276 9.458 29.096 1.00 20.71 C
ATOM 612 C ILE A 78 2.722 9.525 28.660 1.00 33.58 C
ATOM 613 O ILE A 78 3.383 10.576 28.764 1.00 36.90 O
ATOM 614 CB ILE A 78 0.340 10.112 27.998 1.00 20.33 C
ATOM 615 CG1 ILE A 78 0.250 9.223 26.748 1.00 42.19 C
ATOM 616 CG2 ILE A 78 0.791 11.561 27.651 1.00 15.98 C
ATOM 617 CD1 ILE A 78 -0.898 9.631 25.767 1.00 48.98 C
ATOM 618 N PRO A 79 3.198 8.395 28.153 1.00 14.65 N
ATOM 619 CA PRO A 79 4.585 8.309 27.643 1.00 20.50 C
ATOM 620 C PRO A 79 4.593 9.212 26.407 1.00 18.46 C
ATOM 621 O PRO A 79 3.645 9.149 25.580 1.00 25.36 O
ATOM 622 CB PRO A 79 4.821 6.869 27.379 1.00 33.82 C
ATOM 623 CG PRO A 79 3.454 6.256 27.195 1.00 24.98 C
ATOM 624 CD PRO A 79 2.492 7.127 27.991 1.00 26.61 C
ATOM 625 N CYS A 80 5.615 10.025 26.291 1.00 17.73 N
ATOM 626 CA CYS A 80 5.740 10.946 25.151 1.00 17.33 C
ATOM 627 C CYS A 80 5.614 10.277 23.795 1.00 19.84 C
ATOM 628 O CYS A 80 5.108 10.876 22.813 1.00 21.05 O
ATOM 629 CB CYS A 80 7.099 11.662 25.256 1.00 21.54 C
ATOM 630 SG CYS A 80 7.155 12.899 26.584 1.00 22.65 S
ATOM 631 N SER A 81 6.084 9.052 23.711 1.00 22.86 N
ATOM 632 CA SER A 81 6.073 8.253 22.478 1.00 29.54 C
ATOM 633 C SER A 81 4.667 8.071 21.933 1.00 17.76 C
ATOM 634 O SER A 81 4.476 7.945 20.709 1.00 28.00 O
ATOM 635 CB SER A 81 6.742 6.896 22.698 1.00 21.46 C
ATOM 636 OG SER A 81 6.136 6.176 23.749 1.00 27.07 O
ATOM 637 N ALA A 82 3.708 8.063 22.839 1.00 15.92 N
ATOM 638 CA ALA A 82 2.292 7.910 22.516 1.00 22.59 C
ATOM 639 C ALA A 82 1.770 9.070 21.640 1.00 18.94 C
ATOM 640 O ALA A 82 0.759 8.934 20.936 1.00 34.32 O
ATOM 641 CB ALA A 82 1.465 7.857 23.801 1.00 27.53 C
ATOM 642 N LEU A 83 2.468 10.191 21.696 1.00 15.76 N
ATOM 643 CA LEU A 83 2.101 11.375 20.930 1.00 20.43 C
ATOM 644 C LEU A 83 2.691 11.408 19.528 1.00 27.71 C
ATOM 645 O LEU A 83 2.441 12.424 18.821 1.00 25.87 O
ATOM 646 CB LEU A 83 2.604 12.651 21.631 1.00 21.55 C
ATOM 647 CG LEU A 83 2.081 12.814 23.060 1.00 26.38 C
ATOM 648 CD1 LEU A 83 2.882 13.829 23.878 1.00 39.97 C
ATOM 649 CD2 LEU A 83 0.628 13.292 23.114 1.00 21.79 C
ATOM 650 N LEU A 84 3.433 10.393 19.135 1.00 17.07 N
ATOM 651 CA LEU A 84 4.045 10.368 17.801 1.00 10.31 C
ATOM 652 C LEU A 84 3.345 9.421 16.841 1.00 26.24 C
ATOM 653 O LEU A 84 3.891 9.147 15.748 1.00 44.00 O
ATOM 654 CB LEU A 84 5.525 10.018 17.978 1.00 10.51 C
ATOM 655 CG LEU A 84 6.395 10.974 18.752 1.00 22.21 C
ATOM 656 CD1 LEU A 84 7.726 10.305 19.096 1.00 23.15 C
ATOM 657 CD2 LEU A 84 6.658 12.216 17.905 1.00 30.96 C
ATOM 658 N SER A 85 2.203 8.939 17.228 1.00 27.20 N
ATOM 659 CA SER A 85 1.387 8.011 16.440 1.00 22.44 C
ATOM 660 C SER A 85 0.606 8.709 15.337 1.00 36.66 C
ATOM 661 O SER A 85 0.319 9.917 15.421 1.00 34.38 O
ATOM 662 CB SER A 85 0.415 7.303 17.398 1.00 24.33 C
ATOM 663 OG SER A 85 -0.571 6.575 16.687 1.00 31.62 O
ATOM 664 N SER A 86 0.251 7.935 14.326 1.00 36.16 N
ATOM 665 CA SER A 86 -0.546 8.421 13.166 1.00 25.25 C
ATOM 666 C SER A 86 -1.957 8.769 13.645 1.00 25.42 C
ATOM 667 O SER A 86 -2.663 9.608 13.046 1.00 24.13 O
ATOM 668 CB SER A 86 -0.490 7.417 12.039 1.00 39.05 C
ATOM 669 OG SER A 86 0.881 7.323 11.601 1.00 42.34 O
ATOM 670 N ASP A 87 -2.350 8.141 14.734 1.00 24.95 N
ATOM 671 CA ASP A 87 -3.674 8.364 15.378 1.00 19.63 C
ATOM 672 C ASP A 87 -3.481 9.534 16.353 1.00 19.30 C
ATOM 673 O ASP A 87 -2.782 9.358 17.378 1.00 21.89 O
ATOM 674 CB ASP A 87 -4.142 7.059 15.984 1.00 27.01 C
ATOM 675 CG ASP A 87 -5.553 7.127 16.541 1.00 47.20 C
ATOM 676 OD1 ASP A 87 -5.913 8.118 17.194 1.00 38.25 O
ATOM 677 OD2 ASP A 87 -6.284 6.143 16.294 1.00 64.81 O1-
ATOM 678 N ILE A 88 -4.067 10.673 16.040 1.00 20.41 N
ATOM 679 CA ILE A 88 -3.914 11.877 16.872 1.00 18.01 C
ATOM 680 C ILE A 88 -4.741 11.933 18.129 1.00 11.54 C
ATOM 681 O ILE A 88 -4.710 13.018 18.803 1.00 30.18 O
ATOM 682 CB ILE A 88 -4.083 13.180 15.984 1.00 13.91 C
ATOM 683 CG1 ILE A 88 -5.547 13.351 15.520 1.00 25.83 C
ATOM 684 CG2 ILE A 88 -3.079 13.190 14.805 1.00 16.89 C
ATOM 685 CD1 ILE A 88 -5.823 14.789 14.918 1.00 20.39 C
ATOM 686 N THR A 89 -5.421 10.887 18.487 1.00 16.75 N
ATOM 687 CA THR A 89 -6.250 10.895 19.707 1.00 13.06 C
ATOM 688 C THR A 89 -5.519 11.327 20.960 1.00 25.49 C
ATOM 689 O THR A 89 -6.028 12.170 21.728 1.00 20.91 O
ATOM 690 CB THR A 89 -6.942 9.483 19.889 1.00 29.78 C
ATOM 691 CG2 THR A 89 -7.874 9.402 21.095 1.00 21.40 C
ATOM 692 OG1 THR A 89 -7.637 9.272 18.616 1.00 30.13 O
ATOM 693 N ALA A 90 -4.358 10.763 21.195 1.00 24.77 N
ATOM 694 CA ALA A 90 -3.566 11.077 22.388 1.00 19.75 C
ATOM 695 C ALA A 90 -3.212 12.561 22.452 1.00 14.33 C
ATOM 696 O ALA A 90 -3.392 13.216 23.492 1.00 21.26 O
ATOM 697 CB ALA A 90 -2.316 10.200 22.413 1.00 28.09 C
ATOM 698 N SER A 91 -2.713 13.055 21.338 1.00 15.21 N
ATOM 699 CA SER A 91 -2.287 14.444 21.188 1.00 24.26 C
ATOM 700 C SER A 91 -3.421 15.414 21.472 1.00 27.47 C
ATOM 701 O SER A 91 -3.216 16.370 22.251 1.00 18.38 O
ATOM 702 CB SER A 91 -1.689 14.686 19.801 1.00 25.61 C
ATOM 703 OG SER A 91 -0.312 14.295 19.804 1.00 22.96 O
ATOM 704 N VAL A 92 -4.560 15.168 20.862 1.00 11.52 N
ATOM 705 CA VAL A 92 -5.737 16.042 21.038 1.00 13.48 C
ATOM 706 C VAL A 92 -6.247 16.022 22.466 1.00 19.36 C
ATOM 707 O VAL A 92 -6.626 17.115 22.964 1.00 24.59 O
ATOM 708 CB VAL A 92 -6.985 15.721 20.186 1.00 16.86 C
ATOM 709 CG1 VAL A 92 -8.250 16.415 20.694 1.00 34.22 C
ATOM 710 CG2 VAL A 92 -6.836 16.148 18.724 1.00 21.38 C
ATOM 711 N ASN A 93 -6.272 14.860 23.087 1.00 15.94 N
ATOM 712 CA ASN A 93 -6.773 14.748 24.479 1.00 28.00 C
ATOM 713 C ASN A 93 -5.848 15.501 25.442 1.00 13.81 C
ATOM 714 O ASN A 93 -6.319 16.095 26.430 1.00 12.86 O
ATOM 715 CB ASN A 93 -6.990 13.299 24.887 1.00 31.38 C
ATOM 716 CG ASN A 93 -8.163 12.577 24.285 1.00 19.01 C
ATOM 717 ND2 ASN A 93 -9.068 13.249 23.584 1.00 35.81 N
ATOM 718 OD1 ASN A 93 -8.266 11.332 24.453 1.00 48.38 O
ATOM 719 N CYS A 94 -4.569 15.447 25.134 1.00 23.91 N
ATOM 720 CA CYS A 94 -3.554 16.136 25.955 1.00 8.71 C
ATOM 721 C CYS A 94 -3.693 17.651 25.741 1.00 27.25 C
ATOM 722 O CYS A 94 -3.648 18.453 26.687 1.00 17.94 O
ATOM 723 CB CYS A 94 -2.158 15.652 25.620 1.00 22.80 C
ATOM 724 SG CYS A 94 -0.929 16.382 26.775 1.00 20.22 S
ATOM 725 N ALA A 95 -3.867 18.016 24.475 1.00 19.54 N
ATOM 726 CA ALA A 95 -4.019 19.426 24.065 1.00 20.52 C
ATOM 727 C ALA A 95 -5.172 20.100 24.806 1.00 14.35 C
ATOM 728 O ALA A 95 -5.069 21.263 25.258 1.00 18.51 O
ATOM 729 CB ALA A 95 -4.172 19.513 22.552 1.00 19.53 C
ATOM 730 N LYS A 96 -6.252 19.351 24.925 1.00 17.78 N
ATOM 731 CA LYS A 96 -7.473 19.838 25.616 1.00 22.08 C
ATOM 732 C LYS A 96 -7.127 20.240 27.035 1.00 15.06 C
ATOM 733 O LYS A 96 -7.606 21.254 27.551 1.00 23.81 O
ATOM 734 CB LYS A 96 -8.568 18.788 25.561 1.00 13.80 C
ATOM 735 CG LYS A 96 -9.140 18.629 24.127 1.00 16.07 C
ATOM 736 CD LYS A 96 -10.098 17.448 24.084 1.00 28.79 C
ATOM 737 CE LYS A 96 -11.164 17.643 23.004 1.00 27.93 C
ATOM 738 NZ LYS A 96 -11.880 16.348 22.809 1.00 27.94 N1+
ATOM 739 N LYS A 97 -6.274 19.413 27.635 1.00 19.69 N
ATOM 740 CA LYS A 97 -5.811 19.646 29.014 1.00 40.32 C
ATOM 741 C LYS A 97 -4.942 20.898 29.071 1.00 33.51 C
ATOM 742 O LYS A 97 -5.094 21.740 29.983 1.00 23.22 O
ATOM 743 CB LYS A 97 -5.060 18.441 29.556 1.00 13.22 C
ATOM 744 CG LYS A 97 -5.951 17.279 29.986 1.00 19.34 C
ATOM 745 CD LYS A 97 -5.579 16.751 31.369 1.00 47.48 C
ATOM 746 CE LYS A 97 -6.793 16.307 32.162 1.00 41.80 C
ATOM 747 NZ LYS A 97 -7.395 17.467 32.928 1.00 50.91 N1+
ATOM 748 N ILE A 98 -4.044 21.030 28.104 1.00 14.14 N
ATOM 749 CA ILE A 98 -3.122 22.162 28.023 1.00 8.77 C
ATOM 750 C ILE A 98 -3.837 23.501 27.849 1.00 14.84 C
ATOM 751 O ILE A 98 -3.566 24.438 28.623 1.00 19.12 O
ATOM 752 CB ILE A 98 -2.039 21.967 26.896 1.00 15.18 C
ATOM 753 CG1 ILE A 98 -1.243 20.658 27.108 1.00 9.30 C
ATOM 754 CG2 ILE A 98 -1.084 23.195 26.778 1.00 8.09 C
ATOM 755 CD1 ILE A 98 -0.377 20.251 25.860 1.00 9.37 C
ATOM 756 N VAL A 99 -4.689 23.560 26.848 1.00 12.79 N
ATOM 757 CA VAL A 99 -5.430 24.793 26.527 1.00 21.41 C
ATOM 758 C VAL A 99 -6.326 25.256 27.658 1.00 31.14 C
ATOM 759 O VAL A 99 -6.627 26.476 27.687 1.00 30.92 O
ATOM 760 CB VAL A 99 -6.156 24.615 25.170 1.00 13.67 C
ATOM 761 CG1 VAL A 99 -7.403 23.760 25.246 1.00 7.22 C
ATOM 762 CG2 VAL A 99 -6.448 25.970 24.528 1.00 16.45 C
ATOM 763 N SER A 100 -6.734 24.369 28.532 1.00 16.57 N
ATOM 764 CA SER A 100 -7.594 24.703 29.665 1.00 14.62 C
ATOM 765 C SER A 100 -6.839 25.089 30.927 1.00 35.20 C
ATOM 766 O SER A 100 -7.504 25.301 31.974 1.00 28.84 O
ATOM 767 CB SER A 100 -8.459 23.461 30.009 1.00 11.94 C
ATOM 768 OG SER A 100 -9.141 22.977 28.874 1.00 33.30 O
ATOM 769 N ASP A 101 -5.517 25.176 30.886 1.00 29.36 N
ATOM 770 CA ASP A 101 -4.711 25.490 32.066 1.00 38.51 C
ATOM 771 C ASP A 101 -4.594 26.938 32.485 1.00 41.74 C
ATOM 772 O ASP A 101 -4.102 27.136 33.656 1.00 51.62 O
ATOM 773 CB ASP A 101 -3.269 24.895 31.913 1.00 33.30 C
ATOM 774 CG ASP A 101 -2.731 24.387 33.248 1.00 64.49 C
ATOM 775 OD1 ASP A 101 -3.562 24.014 34.127 1.00 44.50 O
ATOM 776 OD2 ASP A 101 -1.499 24.338 33.460 1.00 53.30 O1-
ATOM 777 N GLY A 102 -4.967 27.888 31.667 1.00 44.34 N
ATOM 778 CA GLY A 102 -4.871 29.293 32.059 1.00 30.65 C
ATOM 779 C GLY A 102 -4.203 30.229 31.108 1.00 51.16 C
ATOM 780 O GLY A 102 -4.472 31.453 31.205 1.00 46.48 O
ATOM 781 N ASN A 103 -3.352 29.723 30.235 1.00 17.01 N
ATOM 782 CA ASN A 103 -2.669 30.632 29.257 1.00 12.38 C
ATOM 783 C ASN A 103 -3.250 30.357 27.871 1.00 19.01 C
ATOM 784 O ASN A 103 -2.754 30.889 26.874 1.00 25.26 O
ATOM 785 CB ASN A 103 -1.137 30.808 29.458 1.00 34.54 C
ATOM 786 CG ASN A 103 -0.617 30.927 30.896 1.00 39.60 C
ATOM 787 ND2 ASN A 103 0.194 31.971 31.130 1.00 49.56 N
ATOM 788 OD1 ASN A 103 -0.777 30.085 31.747 1.00 72.74 O
ATOM 789 N GLY A 104 -4.283 29.536 27.832 1.00 22.05 N
ATOM 790 CA GLY A 104 -4.965 29.170 26.575 1.00 16.60 C
ATOM 791 C GLY A 104 -3.923 28.647 25.582 1.00 21.77 C
ATOM 792 O GLY A 104 -2.973 27.953 25.973 1.00 16.58 O
ATOM 793 N MET A 105 -4.127 29.004 24.326 1.00 29.94 N
ATOM 794 CA MET A 105 -3.252 28.612 23.224 1.00 12.04 C
ATOM 795 C MET A 105 -1.890 29.295 23.275 1.00 16.23 C
ATOM 796 O MET A 105 -1.046 28.940 22.428 1.00 15.10 O
ATOM 797 CB MET A 105 -3.961 28.813 21.865 1.00 19.24 C
ATOM 798 CG MET A 105 -4.886 27.613 21.660 1.00 19.20 C
ATOM 799 SD MET A 105 -5.291 27.475 19.892 1.00 17.38 S
ATOM 800 CE MET A 105 -3.724 26.854 19.255 1.00 22.91 C
ATOM 801 N ASN A 106 -1.665 30.204 24.202 1.00 19.61 N
ATOM 802 CA ASN A 106 -0.366 30.900 24.334 1.00 19.83 C
ATOM 803 C ASN A 106 0.723 29.884 24.714 1.00 14.25 C
ATOM 804 O ASN A 106 1.929 30.175 24.596 1.00 22.04 O
ATOM 805 CB ASN A 106 -0.423 32.116 25.269 1.00 25.44 C
ATOM 806 CG ASN A 106 -1.240 33.260 24.685 1.00 24.66 C
ATOM 807 ND2 ASN A 106 -2.328 33.635 25.357 1.00 20.13 N
ATOM 808 OD1 ASN A 106 -0.884 33.797 23.618 1.00 23.46 O
ATOM 809 N ALA A 107 0.305 28.712 25.145 1.00 9.93 N
ATOM 810 CA ALA A 107 1.164 27.601 25.518 1.00 11.75 C
ATOM 811 C ALA A 107 1.937 27.090 24.284 1.00 17.58 C
ATOM 812 O ALA A 107 2.957 26.387 24.438 1.00 26.91 O
ATOM 813 CB ALA A 107 0.357 26.486 26.171 1.00 21.33 C
ATOM 814 N TRP A 108 1.465 27.439 23.101 1.00 10.65 N
ATOM 815 CA TRP A 108 2.093 27.064 21.829 1.00 11.53 C
ATOM 816 C TRP A 108 2.803 28.297 21.258 1.00 11.71 C
ATOM 817 O TRP A 108 2.171 29.193 20.685 1.00 22.76 O
ATOM 818 CB TRP A 108 1.127 26.458 20.797 1.00 12.75 C
ATOM 819 CG TRP A 108 0.736 25.051 21.101 1.00 8.07 C
ATOM 820 CD1 TRP A 108 1.418 23.907 20.763 1.00 12.90 C
ATOM 821 CD2 TRP A 108 -0.434 24.630 21.815 1.00 11.58 C
ATOM 822 CE2 TRP A 108 -0.395 23.216 21.878 1.00 15.59 C
ATOM 823 CE3 TRP A 108 -1.491 25.308 22.404 1.00 18.73 C
ATOM 824 NE1 TRP A 108 0.741 22.798 21.231 1.00 9.13 N
ATOM 825 CZ2 TRP A 108 -1.385 22.481 22.507 1.00 13.91 C
ATOM 826 CZ3 TRP A 108 -2.484 24.570 23.035 1.00 15.66 C
ATOM 827 CH2 TRP A 108 -2.428 23.179 23.081 1.00 23.18 C
ATOM 828 N VAL A 109 4.126 28.292 21.420 1.00 14.57 N
ATOM 829 CA VAL A 109 4.969 29.391 20.924 1.00 11.95 C
ATOM 830 C VAL A 109 4.697 29.722 19.456 1.00 12.70 C
ATOM 831 O VAL A 109 4.559 30.925 19.114 1.00 21.23 O
ATOM 832 CB VAL A 109 6.458 29.052 21.164 1.00 25.59 C
ATOM 833 CG1 VAL A 109 6.898 27.758 20.493 1.00 35.51 C
ATOM 834 CG2 VAL A 109 7.383 30.187 20.731 1.00 26.45 C
ATOM 835 N ALA A 110 4.626 28.707 18.617 1.00 13.84 N
ATOM 836 CA ALA A 110 4.380 28.921 17.170 1.00 23.75 C
ATOM 837 C ALA A 110 3.030 29.606 16.955 1.00 12.22 C
ATOM 838 O ALA A 110 2.893 30.449 16.036 1.00 12.83 O
ATOM 839 CB ALA A 110 4.496 27.623 16.395 1.00 20.07 C
ATOM 840 N TRP A 111 2.066 29.259 17.791 1.00 19.06 N
ATOM 841 CA TRP A 111 0.726 29.824 17.729 1.00 9.71 C
ATOM 842 C TRP A 111 0.739 31.327 18.092 1.00 14.15 C
ATOM 843 O TRP A 111 0.153 32.155 17.380 1.00 10.51 O
ATOM 844 CB TRP A 111 -0.310 29.096 18.638 1.00 20.67 C
ATOM 845 CG TRP A 111 -1.662 29.737 18.500 1.00 19.29 C
ATOM 846 CD1 TRP A 111 -2.588 29.530 17.519 1.00 11.87 C
ATOM 847 CD2 TRP A 111 -2.218 30.727 19.381 1.00 18.00 C
ATOM 848 CE2 TRP A 111 -3.489 31.064 18.867 1.00 20.34 C
ATOM 849 CE3 TRP A 111 -1.763 31.344 20.540 1.00 15.39 C
ATOM 850 NE1 TRP A 111 -3.689 30.323 17.732 1.00 20.34 N
ATOM 851 CZ2 TRP A 111 -4.313 31.999 19.483 1.00 22.85 C
ATOM 852 CZ3 TRP A 111 -2.581 32.273 21.155 1.00 16.39 C
ATOM 853 CH2 TRP A 111 -3.837 32.596 20.637 1.00 18.11 C
ATOM 854 N ARG A 112 1.381 31.607 19.202 1.00 21.29 N
ATOM 855 CA ARG A 112 1.497 32.967 19.742 1.00 18.20 C
ATOM 856 C ARG A 112 2.113 33.930 18.739 1.00 20.27 C
ATOM 857 O ARG A 112 1.571 35.033 18.515 1.00 29.97 O
ATOM 858 CB ARG A 112 2.292 32.963 21.056 1.00 17.06 C
ATOM 859 CG ARG A 112 2.329 34.295 21.784 1.00 52.73 C
ATOM 860 CD ARG A 112 2.458 34.180 23.250 1.00 44.41 C
ATOM 861 NE ARG A 112 3.543 33.400 23.754 1.00 55.52 N
ATOM 862 CZ ARG A 112 4.850 33.568 23.591 1.00 40.04 C
ATOM 863 NH1 ARG A 112 5.371 34.579 22.900 1.00 41.77 N1+
ATOM 864 NH2 ARG A 112 5.690 32.686 24.140 1.00 50.44 N
ATOM 865 N ASN A 113 3.206 33.534 18.131 1.00 15.28 N
ATOM 866 CA ASN A 113 3.930 34.347 17.166 1.00 21.76 C
ATOM 867 C ASN A 113 3.538 34.303 15.711 1.00 17.96 C
ATOM 868 O ASN A 113 3.957 35.265 14.986 1.00 19.79 O
ATOM 869 CB ASN A 113 5.438 33.900 17.252 1.00 15.48 C
ATOM 870 CG ASN A 113 6.070 34.259 18.570 1.00 10.37 C
ATOM 871 ND2 ASN A 113 7.054 33.433 18.952 1.00 18.50 N
ATOM 872 OD1 ASN A 113 5.691 35.231 19.225 1.00 18.44 O
ATOM 873 N ARG A 114 2.839 33.284 15.250 1.00 11.35 N
ATOM 874 CA ARG A 114 2.482 33.182 13.828 1.00 16.89 C
ATOM 875 C ARG A 114 1.036 32.990 13.488 1.00 23.10 C
ATOM 876 O ARG A 114 0.700 33.051 12.273 1.00 19.21 O
ATOM 877 CB ARG A 114 3.278 31.983 13.203 1.00 20.32 C
ATOM 878 CG ARG A 114 4.788 32.163 13.384 1.00 22.43 C
ATOM 879 CD ARG A 114 5.575 31.039 12.866 1.00 25.82 C
ATOM 880 NE ARG A 114 5.828 31.117 11.433 1.00 22.39 N
ATOM 881 CZ ARG A 114 6.577 30.250 10.754 1.00 16.81 C
ATOM 882 NH1 ARG A 114 7.197 29.252 11.372 1.00 17.66 N1+
ATOM 883 NH2 ARG A 114 6.712 30.369 9.426 1.00 24.58 N
ATOM 884 N CYS A 115 0.209 32.766 14.490 1.00 17.89 N
ATOM 885 CA CYS A 115 -1.223 32.546 14.275 1.00 24.46 C
ATOM 886 C CYS A 115 -2.127 33.542 14.955 1.00 11.71 C
ATOM 887 O CYS A 115 -3.114 34.027 14.344 1.00 17.25 O
ATOM 888 CB CYS A 115 -1.556 31.125 14.792 1.00 21.24 C
ATOM 889 SG CYS A 115 -0.665 29.809 13.907 1.00 17.23 S
ATOM 890 N LYS A 116 -1.799 33.803 16.210 1.00 13.68 N
ATOM 891 CA LYS A 116 -2.550 34.748 17.047 1.00 22.97 C
ATOM 892 C LYS A 116 -2.681 36.082 16.309 1.00 17.82 C
ATOM 893 O LYS A 116 -1.672 36.645 15.839 1.00 24.10 O
ATOM 894 CB LYS A 116 -1.862 34.964 18.379 1.00 17.29 C
ATOM 895 CG LYS A 116 -2.704 35.781 19.395 1.00 14.35 C
ATOM 896 CD LYS A 116 -1.901 35.933 20.682 1.00 12.25 C
ATOM 897 CE LYS A 116 -2.723 36.503 21.820 1.00 18.50 C
ATOM 898 NZ LYS A 116 -1.907 36.454 23.084 1.00 14.75 N1+
ATOM 899 N GLY A 117 -3.903 36.556 16.206 1.00 34.51 N
ATOM 900 CA GLY A 117 -4.238 37.809 15.551 1.00 23.17 C
ATOM 901 C GLY A 117 -4.189 37.800 14.048 1.00 25.41 C
ATOM 902 O GLY A 117 -4.252 38.902 13.435 1.00 47.28 O
ATOM 903 N THR A 118 -4.082 36.645 13.433 1.00 24.28 N
ATOM 904 CA THR A 118 -4.058 36.526 11.960 1.00 24.37 C
ATOM 905 C THR A 118 -5.442 35.965 11.562 1.00 9.29 C
ATOM 906 O THR A 118 -6.224 35.642 12.479 1.00 25.13 O
ATOM 907 CB THR A 118 -2.889 35.686 11.384 1.00 29.32 C
ATOM 908 CG2 THR A 118 -1.504 36.082 11.924 1.00 10.57 C
ATOM 909 OG1 THR A 118 -3.214 34.274 11.668 1.00 19.68 O
ATOM 910 N ASP A 119 -5.681 35.883 10.274 1.00 22.38 N
ATOM 911 CA ASP A 119 -6.988 35.345 9.813 1.00 18.05 C
ATOM 912 C ASP A 119 -6.786 33.827 9.671 1.00 13.92 C
ATOM 913 O ASP A 119 -6.534 33.299 8.591 1.00 30.14 O
ATOM 914 CB ASP A 119 -7.551 36.058 8.589 1.00 30.27 C
ATOM 915 CG ASP A 119 -8.590 35.115 7.983 1.00 60.66 C
ATOM 916 OD1 ASP A 119 -9.630 34.777 8.667 1.00 64.89 O
ATOM 917 OD2 ASP A 119 -8.427 34.657 6.788 1.00 64.55 O1-
ATOM 918 N VAL A 120 -6.922 33.187 10.819 1.00 20.88 N
ATOM 919 CA VAL A 120 -6.770 31.713 10.921 1.00 35.36 C
ATOM 920 C VAL A 120 -7.784 30.986 10.051 1.00 33.17 C
ATOM 921 O VAL A 120 -7.543 29.817 9.646 1.00 20.00 O
ATOM 922 CB VAL A 120 -6.784 31.313 12.411 1.00 24.44 C
ATOM 923 CG1 VAL A 120 -5.535 31.837 13.135 1.00 18.03 C
ATOM 924 CG2 VAL A 120 -8.043 31.742 13.132 1.00 25.94 C
ATOM 925 N GLN A 121 -8.893 31.638 9.741 1.00 26.87 N
ATOM 926 CA GLN A 121 -9.956 31.063 8.916 1.00 31.93 C
ATOM 927 C GLN A 121 -9.460 30.587 7.561 1.00 34.81 C
ATOM 928 O GLN A 121 -10.108 29.728 6.915 1.00 38.02 O
ATOM 929 CB GLN A 121 -11.173 32.026 8.779 1.00 42.65 C
ATOM 930 CG GLN A 121 -12.370 31.260 8.209 1.00 50.99 C
ATOM 931 CD GLN A 121 -13.742 31.658 8.635 1.00 51.80 C
ATOM 932 NE2 GLN A 121 -13.945 32.945 8.962 1.00 59.30 N
ATOM 933 OE1 GLN A 121 -14.682 30.829 8.675 1.00 53.79 O
ATOM 934 N ALA A 122 -8.337 31.124 7.131 1.00 24.70 N
ATOM 935 CA ALA A 122 -7.718 30.761 5.853 1.00 20.96 C
ATOM 936 C ALA A 122 -7.213 29.315 5.901 1.00 21.47 C
ATOM 937 O ALA A 122 -7.095 28.665 4.844 1.00 26.83 O
ATOM 938 CB ALA A 122 -6.586 31.718 5.527 1.00 28.62 C
ATOM 939 N TRP A 123 -6.920 28.833 7.104 1.00 17.80 N
ATOM 940 CA TRP A 123 -6.401 27.445 7.251 1.00 20.09 C
ATOM 941 C TRP A 123 -7.388 26.371 6.890 1.00 25.37 C
ATOM 942 O TRP A 123 -6.974 25.240 6.499 1.00 24.89 O
ATOM 943 CB TRP A 123 -5.787 27.320 8.677 1.00 9.16 C
ATOM 944 CG TRP A 123 -4.543 28.163 8.760 1.00 8.40 C
ATOM 945 CD1 TRP A 123 -4.406 29.386 9.337 1.00 21.96 C
ATOM 946 CD2 TRP A 123 -3.260 27.825 8.221 1.00 13.23 C
ATOM 947 CE2 TRP A 123 -2.394 28.896 8.521 1.00 27.51 C
ATOM 948 CE3 TRP A 123 -2.775 26.725 7.522 1.00 24.82 C
ATOM 949 NE1 TRP A 123 -3.114 29.832 9.204 1.00 19.28 N
ATOM 950 CZ2 TRP A 123 -1.059 28.897 8.142 1.00 31.32 C
ATOM 951 CZ3 TRP A 123 -1.447 26.715 7.141 1.00 21.74 C
ATOM 952 CH2 TRP A 123 -0.603 27.782 7.447 1.00 41.22 C
ATOM 953 N ILE A 124 -8.660 26.670 6.992 1.00 21.33 N
ATOM 954 CA ILE A 124 -9.722 25.695 6.639 1.00 22.13 C
ATOM 955 C ILE A 124 -10.302 25.967 5.258 1.00 32.48 C
ATOM 956 O ILE A 124 -11.331 25.320 4.912 1.00 22.70 O
ATOM 957 CB ILE A 124 -10.728 25.648 7.841 1.00 23.04 C
ATOM 958 CG1 ILE A 124 -11.291 27.043 8.157 1.00 18.61 C
ATOM 959 CG2 ILE A 124 -10.030 25.010 9.092 1.00 24.59 C
ATOM 960 CD1 ILE A 124 -12.404 27.102 9.256 1.00 45.49 C
ATOM 961 N ARG A 125 -9.734 26.830 4.421 1.00 30.91 N
ATOM 962 CA ARG A 125 -10.198 27.185 3.080 1.00 27.38 C
ATOM 963 C ARG A 125 -10.169 26.029 2.052 1.00 23.45 C
ATOM 964 O ARG A 125 -9.124 25.530 1.665 1.00 39.60 O
ATOM 965 CB ARG A 125 -9.562 28.296 2.308 1.00 35.39 C
ATOM 966 CG ARG A 125 -8.746 29.441 2.598 1.00 66.11 C
ATOM 967 CD ARG A 125 -7.501 29.568 1.732 1.00 35.81 C
ATOM 968 NE ARG A 125 -7.330 30.970 1.299 1.00 56.79 N
ATOM 969 CZ ARG A 125 -6.185 31.581 0.994 1.00 56.87 C
ATOM 970 NH1 ARG A 125 -4.988 30.994 1.082 1.00 62.24 N1+
ATOM 971 NH2 ARG A 125 -6.218 32.859 0.567 1.00 62.04 N
ATOM 972 N GLY A 126 -11.404 25.722 1.636 1.00 25.19 N
ATOM 973 CA GLY A 126 -11.664 24.674 0.652 1.00 26.37 C
ATOM 974 C GLY A 126 -11.881 23.309 1.253 1.00 24.63 C
ATOM 975 O GLY A 126 -12.063 22.319 0.496 1.00 44.29 O
ATOM 976 N CYS A 127 -11.882 23.224 2.570 1.00 21.46 N
ATOM 977 CA CYS A 127 -12.084 21.955 3.279 1.00 24.12 C
ATOM 978 C CYS A 127 -13.543 21.535 3.308 1.00 19.35 C
ATOM 979 O CYS A 127 -14.469 22.349 3.388 1.00 20.63 O
ATOM 980 CB CYS A 127 -11.504 22.059 4.708 1.00 16.90 C
ATOM 981 SG CYS A 127 -9.695 22.249 4.609 1.00 22.71 S
ATOM 982 N ARG A 128 -13.726 20.230 3.253 1.00 29.87 N
ATOM 983 CA ARG A 128 -15.025 19.564 3.292 1.00 17.04 C
ATOM 984 C ARG A 128 -15.290 19.145 4.750 1.00 20.02 C
ATOM 985 O ARG A 128 -14.970 18.015 5.178 1.00 42.56 O
ATOM 986 CB ARG A 128 -15.082 18.354 2.368 1.00 31.05 C
ATOM 987 CG ARG A 128 -15.481 18.611 0.934 1.00 35.45 C
ATOM 988 CD ARG A 128 -16.984 18.628 0.788 1.00 54.63 C
ATOM 989 NE ARG A 128 -17.467 17.307 0.324 1.00 55.58 N
ATOM 990 CZ ARG A 128 -18.032 16.412 1.146 1.00 83.67 C
ATOM 991 NH1 ARG A 128 -17.728 16.390 2.450 1.00 85.64 N1+
ATOM 992 NH2 ARG A 128 -18.918 15.515 0.676 1.00 62.69 N
ATOM 993 N LEU A 129 -15.873 20.060 5.495 1.00 26.02 N
ATOM 994 CA LEU A 129 -16.186 19.851 6.911 1.00 30.59 C
ATOM 995 C LEU A 129 -17.661 20.003 7.247 1.00 43.61 C
ATOM 996 O LEU A 129 -18.388 20.459 6.336 1.00 39.83 O
ATOM 997 CB LEU A 129 -15.324 20.866 7.700 1.00 15.32 C
ATOM 998 CG LEU A 129 -13.824 20.675 7.712 1.00 22.28 C
ATOM 999 CD1 LEU A 129 -13.088 22.029 7.721 1.00 41.00 C
ATOM 1000 CD2 LEU A 129 -13.441 19.891 8.982 1.00 29.73 C
ATOM 1001 OXT LEU A 129 -17.993 19.662 8.407 1.00 31.81 O1-
END
</textarea>
<div id="container-01" class="mol-container"></div>
<script>
// CODE-MARKER
</script>
<script>
System.import('./index.js')
</script>
</body>
</html>
Raw
index.ts
DomReady.ready(function() {
// install a right-click handler on every canvas to export png
$('canvas').bind('contextmenu',function(e) {
const dt: any = (<HTMLCanvasElement>e.currentTarget).toDataURL('image/png');
window.location = dt;
});
});
const labels: $3Dmol.Label[] = [];
const element = $('#container-01');
const config = { backgroundColor: 'white' };
const viewer = $3Dmol.createViewer( element, config );
const atoms: $3Dmol.AtomSpec[] = [
{
elem: 'C',
x: 0,
y: 0,
z: 0,
bonds: [1,2],
bondOrder: [1,2]
},
{elem: 'O', x: -1.5, y: 0, z: 0, bonds: [0]},
{elem: 'O', x: +1.5, y: 0, z: 0, bonds: [0], bondOrder: [2]}];
const m = viewer.addModel();
m.addAtoms(atoms);
m.setStyle({}, {stick: {}});
viewer.zoomTo();
viewer.render();
const model = viewer.getModel();
const as = model.selectedAtoms({});
for (let a in as) {
const atom = as[a];
// console.log(JSON.stringify(atom));
const labelText = atom.elem
const l = viewer.addLabel(labelText, {position: {x: atom.x, y: atom.y, z: atom.z}})
labels.push(l)
}
viewer.zoom(1, 1000)
viewer.animate({})
Raw
package.json
{
"description": "3Dmol Atoms",
"dependencies": {
"DomReady": "1.0.0",
"jasmine": "2.4.1",
"jquery": "2.1.4"
},
"name": "copy-of-copy-of-copy-of-copy-of-",
"version": "0.1.0",
"keywords": [
"typings",
"d.ts",
"CDN",
"JavaScript",
"3DMol",
"3Dmol.js"
]
}
Raw
style.css
body {
background-color: white;
}
.mol-container {
width: 500px;
height: 500px;
position: relative;
}
Raw
tests.html
<!DOCTYPE html>
<html>
<head>
<!-- STYLES-MARKER -->
<style>
/* STYLE-MARKER */
</style>
<script src='https://jspm.io/system.js'></script>
<!-- SCRIPTS-MARKER -->
</head>
<body>
<script>
// CODE-MARKER
</script>
<script>
System.import('./tests.js')
</script>
</body>
</html>
Raw
tests.ts
import Example from './Example.spec'
window['jasmine'] = jasmineRequire.core(jasmineRequire)
jasmineRequire.html(window['jasmine'])
const env = jasmine.getEnv()
const jasmineInterface = jasmineRequire.interface(window['jasmine'], env)
extend(window, jasmineInterface)
const htmlReporter = new jasmine.HtmlReporter({
env: env,
getContainer: function() { return document.body },
createElement: function() { return document.createElement.apply(document, arguments) },
createTextNode: function() { return document.createTextNode.apply(document, arguments) },
timer: new jasmine.Timer()
})
env.addReporter(htmlReporter)
DomReady.ready(function() {
htmlReporter.initialize()
describe("Example", Example)
env.execute()
})
/*
* Helper function for extending the properties on objects.
*/
export default function extend<T>(destination: T, source: any): T {
for (let property in source) {
destination[property] = source[property]
}
return destination
}
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