Spaces:
Runtime error
Runtime error
Initial commit
Browse filesTmp.
Tmp
Iframe ?
Tmp
Tmp.
Changing filename name.
Fix.
Prod build.
Remove server port.
- app.py +31 -0
- molstar.css +1 -0
- molstar.html +18 -0
- molstar.js +0 -0
- outputs/covid-alpha.pdb +1072 -0
app.py
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import gradio as gr
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from pathlib import Path
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import tempfile
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def molstar(output_name):
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structure_url = f"https://nodata.dev/gradiofold/outputs/{output_name}"
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return f'<iframe style="height: 50rem; width:100%" src="https://nodata.dev/gradiofold/molstar.html?structure-url={structure_url}"/>'
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def main(dropdown):
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filename = PRECALCULATED_MOLECULES[dropdown]
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return molstar(filename)
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PRECALCULATED_MOLECULES = {"Covid spike (alpha)": "covid-alpha.pdb"}
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file_input = gr.inputs.File(
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file_count="single",
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type="file",
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label="Send a Fasta file representing the protein",
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optional=False,
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)
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dropdown_input = gr.inputs.Dropdown(
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list(PRECALCULATED_MOLECULES.keys()) + ["custom fasta file"]
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)
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inputs = [dropdown_input]
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iface = gr.Interface(fn=main, inputs=inputs, outputs="html")
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if __name__ == "__main__":
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iface.launch()
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molstar.css
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.msp-plugin{font-family:"Helvetica Neue","Segoe UI",Helvetica,"Source Sans Pro",Arial,sans-serif;font-size:14px;line-height:1.42857143;position:absolute;left:0;top:0;right:0;bottom:0;/*! normalize.css v3.0.3 | MIT License | github.com/necolas/normalize.css */background:#eeece7}.msp-plugin *{box-sizing:border-box}.msp-plugin [hidden],.msp-plugin template{display:none}.msp-plugin a{background-color:transparent}.msp-plugin a:active,.msp-plugin a:hover{outline:0}.msp-plugin abbr[title]{border-bottom:1px dotted}.msp-plugin b,.msp-plugin strong{font-weight:bold}.msp-plugin small{font-size:80%}.msp-plugin img{border:0}.msp-plugin svg:not(:root){overflow:hidden}.msp-plugin button,.msp-plugin input,.msp-plugin optgroup,.msp-plugin select,.msp-plugin textarea{color:inherit;font:inherit;margin:0}.msp-plugin button{overflow:visible}.msp-plugin button,.msp-plugin select{text-transform:none}.msp-plugin button,.msp-plugin html input[type=button],.msp-plugin input[type=reset],.msp-plugin 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.msp-btn-icon{background:transparent;position:absolute;top:1px;right:0;left:0;bottom:0;width:100%;text-align:right;padding-right:5px}.msp-plugin .msp-help-row{position:relative;height:32px;background:#eeece7;margin-top:1px;display:table;width:100%}.msp-plugin .msp-help-row>span{width:120px;text-align:right;padding:3px 10px;color:#63533c;display:table-cell;font-weight:bold;-webkit-user-select:none;-moz-user-select:none;-ms-user-select:none;-o-user-select:none;user-select:none;cursor:default}.msp-plugin .msp-help-row>div{background:#f3f2ee;position:relative;padding:3px 10px;display:table-cell}.msp-plugin .msp-canvas{width:100%;height:100%;background-color:#f3f2ee}.msp-plugin .msp-canvas text{-webkit-touch-callout:none;-webkit-user-select:none;-khtml-user-select:none;-moz-user-select:none;-ms-user-select:none;user-select:none}.msp-plugin .msp-canvas circle{stroke:#000;stroke-width:10;stroke-opacity:.3}.msp-plugin .msp-canvas 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.msp-plugin-content{color:#332b1f}
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molstar.html
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<head>
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<link rel="stylesheet" type="text/css" href="molstar.css" />
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</head>
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<body>
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<div id="app" style="height: 50rem; width: 100%"></div>
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| 6 |
+
<script type="text/javascript" src="molstar.js"></script>
|
| 7 |
+
<script type="text/javascript">
|
| 8 |
+
function getParam(name, regex) {
|
| 9 |
+
var r = new RegExp(name + "=" + "(" + regex + ")[&]?", "i");
|
| 10 |
+
return decodeURIComponent(
|
| 11 |
+
((window.location.search || "").match(r) || [])[1] || ""
|
| 12 |
+
);
|
| 13 |
+
}
|
| 14 |
+
const structure_url = getParam("structure-url", "[^&]+");
|
| 15 |
+
var viewer = new molstar.Viewer("app");
|
| 16 |
+
viewer.loadStructureFromUrl(structure_url, "pdb", false);
|
| 17 |
+
</script>
|
| 18 |
+
</body>
|
molstar.js
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
outputs/covid-alpha.pdb
ADDED
|
@@ -0,0 +1,1072 @@
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| 1 |
+
ATOM 1 N MET A 1 5.134 3.677 -28.820 1.00 47.73 N
|
| 2 |
+
ATOM 2 H MET A 1 4.890 3.904 -29.773 1.00 47.73 H
|
| 3 |
+
ATOM 3 H2 MET A 1 5.184 2.673 -28.729 1.00 47.73 H
|
| 4 |
+
ATOM 4 H3 MET A 1 6.040 4.069 -28.605 1.00 47.73 H
|
| 5 |
+
ATOM 5 CA MET A 1 4.104 4.200 -27.895 1.00 47.73 C
|
| 6 |
+
ATOM 6 HA MET A 1 4.027 5.283 -27.990 1.00 47.73 H
|
| 7 |
+
ATOM 7 C MET A 1 4.503 3.885 -26.456 1.00 47.73 C
|
| 8 |
+
ATOM 8 CB MET A 1 2.729 3.591 -28.214 1.00 47.73 C
|
| 9 |
+
ATOM 9 HB2 MET A 1 2.785 2.503 -28.191 1.00 47.73 H
|
| 10 |
+
ATOM 10 HB3 MET A 1 2.020 3.915 -27.453 1.00 47.73 H
|
| 11 |
+
ATOM 11 O MET A 1 3.935 2.990 -25.850 1.00 47.73 O
|
| 12 |
+
ATOM 12 CG MET A 1 2.186 4.032 -29.571 1.00 47.73 C
|
| 13 |
+
ATOM 13 HG2 MET A 1 2.202 5.120 -29.619 1.00 47.73 H
|
| 14 |
+
ATOM 14 HG3 MET A 1 2.806 3.631 -30.373 1.00 47.73 H
|
| 15 |
+
ATOM 15 SD MET A 1 0.487 3.479 -29.815 1.00 47.73 S
|
| 16 |
+
ATOM 16 CE MET A 1 0.053 4.420 -31.301 1.00 47.73 C
|
| 17 |
+
ATOM 17 HE1 MET A 1 0.165 5.487 -31.110 1.00 47.73 H
|
| 18 |
+
ATOM 18 HE2 MET A 1 0.698 4.125 -32.129 1.00 47.73 H
|
| 19 |
+
ATOM 19 HE3 MET A 1 -0.984 4.215 -31.566 1.00 47.73 H
|
| 20 |
+
ATOM 20 N ALA A 2 5.537 4.549 -25.938 1.00 56.30 N
|
| 21 |
+
ATOM 21 H ALA A 2 5.969 5.316 -26.435 1.00 56.30 H
|
| 22 |
+
ATOM 22 CA ALA A 2 6.064 4.253 -24.604 1.00 56.30 C
|
| 23 |
+
ATOM 23 HA ALA A 2 5.712 3.279 -24.266 1.00 56.30 H
|
| 24 |
+
ATOM 24 C ALA A 2 5.572 5.267 -23.557 1.00 56.30 C
|
| 25 |
+
ATOM 25 CB ALA A 2 7.579 4.150 -24.724 1.00 56.30 C
|
| 26 |
+
ATOM 26 HB1 ALA A 2 7.983 3.833 -23.763 1.00 56.30 H
|
| 27 |
+
ATOM 27 HB2 ALA A 2 7.856 3.404 -25.469 1.00 56.30 H
|
| 28 |
+
ATOM 28 HB3 ALA A 2 7.995 5.120 -24.997 1.00 56.30 H
|
| 29 |
+
ATOM 29 O ALA A 2 5.064 4.847 -22.530 1.00 56.30 O
|
| 30 |
+
ATOM 30 N ALA A 3 5.523 6.560 -23.905 1.00 58.90 N
|
| 31 |
+
ATOM 31 H ALA A 3 6.004 6.843 -24.747 1.00 58.90 H
|
| 32 |
+
ATOM 32 CA ALA A 3 5.093 7.655 -23.023 1.00 58.90 C
|
| 33 |
+
ATOM 33 HA ALA A 3 5.837 7.776 -22.236 1.00 58.90 H
|
| 34 |
+
ATOM 34 C ALA A 3 3.731 7.462 -22.322 1.00 58.90 C
|
| 35 |
+
ATOM 35 CB ALA A 3 5.068 8.932 -23.875 1.00 58.90 C
|
| 36 |
+
ATOM 36 HB1 ALA A 3 4.324 8.846 -24.668 1.00 58.90 H
|
| 37 |
+
ATOM 37 HB2 ALA A 3 6.052 9.117 -24.305 1.00 58.90 H
|
| 38 |
+
ATOM 38 HB3 ALA A 3 4.807 9.780 -23.241 1.00 58.90 H
|
| 39 |
+
ATOM 39 O ALA A 3 3.506 8.018 -21.253 1.00 58.90 O
|
| 40 |
+
ATOM 40 N HIS A 4 2.824 6.668 -22.897 1.00 70.43 N
|
| 41 |
+
ATOM 41 H HIS A 4 3.056 6.207 -23.765 1.00 70.43 H
|
| 42 |
+
ATOM 42 CA HIS A 4 1.530 6.392 -22.275 1.00 70.43 C
|
| 43 |
+
ATOM 43 HA HIS A 4 1.114 7.331 -21.909 1.00 70.43 H
|
| 44 |
+
ATOM 44 C HIS A 4 1.647 5.478 -21.054 1.00 70.43 C
|
| 45 |
+
ATOM 45 CB HIS A 4 0.562 5.829 -23.319 1.00 70.43 C
|
| 46 |
+
ATOM 46 HB2 HIS A 4 0.962 4.903 -23.731 1.00 70.43 H
|
| 47 |
+
ATOM 47 HB3 HIS A 4 -0.386 5.599 -22.834 1.00 70.43 H
|
| 48 |
+
ATOM 48 O HIS A 4 0.934 5.702 -20.087 1.00 70.43 O
|
| 49 |
+
ATOM 49 CG HIS A 4 0.308 6.819 -24.427 1.00 70.43 C
|
| 50 |
+
ATOM 50 CD2 HIS A 4 0.742 6.730 -25.719 1.00 70.43 C
|
| 51 |
+
ATOM 51 HD2 HIS A 4 1.289 5.901 -26.143 1.00 70.43 H
|
| 52 |
+
ATOM 52 ND1 HIS A 4 -0.334 8.028 -24.298 1.00 70.43 N
|
| 53 |
+
ATOM 53 HD1 HIS A 4 -0.781 8.376 -23.462 1.00 70.43 H
|
| 54 |
+
ATOM 54 CE1 HIS A 4 -0.284 8.654 -25.486 1.00 70.43 C
|
| 55 |
+
ATOM 55 HE1 HIS A 4 -0.711 9.624 -25.692 1.00 70.43 H
|
| 56 |
+
ATOM 56 NE2 HIS A 4 0.379 7.904 -26.385 1.00 70.43 N
|
| 57 |
+
ATOM 57 N LYS A 5 2.593 4.529 -21.037 1.00 78.98 N
|
| 58 |
+
ATOM 58 H LYS A 5 3.276 4.502 -21.780 1.00 78.98 H
|
| 59 |
+
ATOM 59 CA LYS A 5 2.700 3.562 -19.938 1.00 78.98 C
|
| 60 |
+
ATOM 60 HA LYS A 5 1.711 3.140 -19.756 1.00 78.98 H
|
| 61 |
+
ATOM 61 C LYS A 5 3.112 4.232 -18.631 1.00 78.98 C
|
| 62 |
+
ATOM 62 CB LYS A 5 3.660 2.425 -20.298 1.00 78.98 C
|
| 63 |
+
ATOM 63 HB2 LYS A 5 3.800 1.809 -19.410 1.00 78.98 H
|
| 64 |
+
ATOM 64 HB3 LYS A 5 4.628 2.836 -20.585 1.00 78.98 H
|
| 65 |
+
ATOM 65 O LYS A 5 2.487 3.977 -17.608 1.00 78.98 O
|
| 66 |
+
ATOM 66 CG LYS A 5 3.105 1.547 -21.426 1.00 78.98 C
|
| 67 |
+
ATOM 67 HG2 LYS A 5 3.067 2.117 -22.355 1.00 78.98 H
|
| 68 |
+
ATOM 68 HG3 LYS A 5 2.100 1.217 -21.167 1.00 78.98 H
|
| 69 |
+
ATOM 69 CD LYS A 5 4.007 0.324 -21.608 1.00 78.98 C
|
| 70 |
+
ATOM 70 HD2 LYS A 5 5.009 0.655 -21.883 1.00 78.98 H
|
| 71 |
+
ATOM 71 HD3 LYS A 5 4.058 -0.213 -20.661 1.00 78.98 H
|
| 72 |
+
ATOM 72 CE LYS A 5 3.442 -0.598 -22.689 1.00 78.98 C
|
| 73 |
+
ATOM 73 HE2 LYS A 5 2.404 -0.817 -22.438 1.00 78.98 H
|
| 74 |
+
ATOM 74 HE3 LYS A 5 3.452 -0.070 -23.642 1.00 78.98 H
|
| 75 |
+
ATOM 75 NZ LYS A 5 4.229 -1.853 -22.763 1.00 78.98 N
|
| 76 |
+
ATOM 76 HZ1 LYS A 5 4.198 -2.320 -21.869 1.00 78.98 H
|
| 77 |
+
ATOM 77 HZ2 LYS A 5 3.849 -2.476 -23.461 1.00 78.98 H
|
| 78 |
+
ATOM 78 HZ3 LYS A 5 5.197 -1.654 -22.971 1.00 78.98 H
|
| 79 |
+
ATOM 79 N GLY A 6 4.111 5.119 -18.664 1.00 84.77 N
|
| 80 |
+
ATOM 80 H GLY A 6 4.610 5.256 -19.531 1.00 84.77 H
|
| 81 |
+
ATOM 81 CA GLY A 6 4.508 5.901 -17.486 1.00 84.77 C
|
| 82 |
+
ATOM 82 HA2 GLY A 6 4.870 5.235 -16.702 1.00 84.77 H
|
| 83 |
+
ATOM 83 HA3 GLY A 6 5.310 6.589 -17.753 1.00 84.77 H
|
| 84 |
+
ATOM 84 C GLY A 6 3.345 6.727 -16.928 1.00 84.77 C
|
| 85 |
+
ATOM 85 O GLY A 6 3.036 6.644 -15.741 1.00 84.77 O
|
| 86 |
+
ATOM 86 N ALA A 7 2.625 7.436 -17.807 1.00 87.63 N
|
| 87 |
+
ATOM 87 H ALA A 7 2.913 7.453 -18.775 1.00 87.63 H
|
| 88 |
+
ATOM 88 CA ALA A 7 1.445 8.210 -17.425 1.00 87.63 C
|
| 89 |
+
ATOM 89 HA ALA A 7 1.733 8.917 -16.647 1.00 87.63 H
|
| 90 |
+
ATOM 90 C ALA A 7 0.323 7.327 -16.844 1.00 87.63 C
|
| 91 |
+
ATOM 91 CB ALA A 7 0.966 9.007 -18.644 1.00 87.63 C
|
| 92 |
+
ATOM 92 HB1 ALA A 7 0.665 8.331 -19.443 1.00 87.63 H
|
| 93 |
+
ATOM 93 HB2 ALA A 7 1.768 9.654 -19.000 1.00 87.63 H
|
| 94 |
+
ATOM 94 HB3 ALA A 7 0.113 9.624 -18.359 1.00 87.63 H
|
| 95 |
+
ATOM 95 O ALA A 7 -0.247 7.664 -15.810 1.00 87.63 O
|
| 96 |
+
ATOM 96 N GLU A 8 0.030 6.175 -17.452 1.00 90.46 N
|
| 97 |
+
ATOM 97 H GLU A 8 0.501 5.953 -18.318 1.00 90.46 H
|
| 98 |
+
ATOM 98 CA GLU A 8 -0.952 5.209 -16.944 1.00 90.46 C
|
| 99 |
+
ATOM 99 HA GLU A 8 -1.929 5.686 -16.864 1.00 90.46 H
|
| 100 |
+
ATOM 100 C GLU A 8 -0.582 4.693 -15.548 1.00 90.46 C
|
| 101 |
+
ATOM 101 CB GLU A 8 -1.061 4.007 -17.897 1.00 90.46 C
|
| 102 |
+
ATOM 102 HB2 GLU A 8 -1.575 3.199 -17.376 1.00 90.46 H
|
| 103 |
+
ATOM 103 HB3 GLU A 8 -0.061 3.654 -18.147 1.00 90.46 H
|
| 104 |
+
ATOM 104 O GLU A 8 -1.450 4.577 -14.684 1.00 90.46 O
|
| 105 |
+
ATOM 105 CG GLU A 8 -1.839 4.289 -19.188 1.00 90.46 C
|
| 106 |
+
ATOM 106 HG2 GLU A 8 -2.873 4.515 -18.928 1.00 90.46 H
|
| 107 |
+
ATOM 107 HG3 GLU A 8 -1.440 5.163 -19.703 1.00 90.46 H
|
| 108 |
+
ATOM 108 CD GLU A 8 -1.788 3.059 -20.105 1.00 90.46 C
|
| 109 |
+
ATOM 109 OE1 GLU A 8 -2.735 2.244 -20.018 1.00 90.46 O
|
| 110 |
+
ATOM 110 OE2 GLU A 8 -0.789 2.899 -20.850 1.00 90.46 O
|
| 111 |
+
ATOM 111 N HIS A 9 0.699 4.400 -15.300 1.00 92.73 N
|
| 112 |
+
ATOM 112 H HIS A 9 1.373 4.495 -16.046 1.00 92.73 H
|
| 113 |
+
ATOM 113 CA HIS A 9 1.163 4.002 -13.973 1.00 92.73 C
|
| 114 |
+
ATOM 114 HA HIS A 9 0.531 3.188 -13.620 1.00 92.73 H
|
| 115 |
+
ATOM 115 C HIS A 9 1.003 5.137 -12.953 1.00 92.73 C
|
| 116 |
+
ATOM 116 CB HIS A 9 2.607 3.488 -14.044 1.00 92.73 C
|
| 117 |
+
ATOM 117 HB2 HIS A 9 3.214 4.168 -14.643 1.00 92.73 H
|
| 118 |
+
ATOM 118 HB3 HIS A 9 3.014 3.478 -13.033 1.00 92.73 H
|
| 119 |
+
ATOM 119 O HIS A 9 0.532 4.876 -11.849 1.00 92.73 O
|
| 120 |
+
ATOM 120 CG HIS A 9 2.724 2.088 -14.589 1.00 92.73 C
|
| 121 |
+
ATOM 121 CD2 HIS A 9 3.313 1.719 -15.766 1.00 92.73 C
|
| 122 |
+
ATOM 122 HD2 HIS A 9 3.813 2.379 -16.460 1.00 92.73 H
|
| 123 |
+
ATOM 123 ND1 HIS A 9 2.292 0.932 -13.976 1.00 92.73 N
|
| 124 |
+
ATOM 124 HD1 HIS A 9 2.115 0.824 -12.987 1.00 92.73 H
|
| 125 |
+
ATOM 125 CE1 HIS A 9 2.551 -0.093 -14.804 1.00 92.73 C
|
| 126 |
+
ATOM 126 HE1 HIS A 9 2.371 -1.135 -14.580 1.00 92.73 H
|
| 127 |
+
ATOM 127 NE2 HIS A 9 3.175 0.336 -15.909 1.00 92.73 N
|
| 128 |
+
ATOM 128 N HIS A 10 1.294 6.389 -13.315 1.00 90.72 N
|
| 129 |
+
ATOM 129 H HIS A 10 1.709 6.556 -14.221 1.00 90.72 H
|
| 130 |
+
ATOM 130 CA HIS A 10 1.023 7.533 -12.440 1.00 90.72 C
|
| 131 |
+
ATOM 131 HA HIS A 10 1.516 7.361 -11.483 1.00 90.72 H
|
| 132 |
+
ATOM 132 C HIS A 10 -0.465 7.716 -12.135 1.00 90.72 C
|
| 133 |
+
ATOM 133 CB HIS A 10 1.585 8.817 -13.053 1.00 90.72 C
|
| 134 |
+
ATOM 134 HB2 HIS A 10 1.359 8.857 -14.119 1.00 90.72 H
|
| 135 |
+
ATOM 135 HB3 HIS A 10 1.105 9.675 -12.581 1.00 90.72 H
|
| 136 |
+
ATOM 136 O HIS A 10 -0.817 7.930 -10.977 1.00 90.72 O
|
| 137 |
+
ATOM 137 CG HIS A 10 3.061 8.960 -12.839 1.00 90.72 C
|
| 138 |
+
ATOM 138 CD2 HIS A 10 4.015 9.115 -13.806 1.00 90.72 C
|
| 139 |
+
ATOM 139 HD2 HIS A 10 3.854 9.129 -14.874 1.00 90.72 H
|
| 140 |
+
ATOM 140 ND1 HIS A 10 3.697 9.022 -11.618 1.00 90.72 N
|
| 141 |
+
ATOM 141 HD1 HIS A 10 3.260 8.961 -10.710 1.00 90.72 H
|
| 142 |
+
ATOM 142 CE1 HIS A 10 5.006 9.211 -11.845 1.00 90.72 C
|
| 143 |
+
ATOM 143 HE1 HIS A 10 5.772 9.305 -11.090 1.00 90.72 H
|
| 144 |
+
ATOM 144 NE2 HIS A 10 5.236 9.287 -13.159 1.00 90.72 N
|
| 145 |
+
ATOM 145 N HIS A 11 -1.337 7.597 -13.139 1.00 94.22 N
|
| 146 |
+
ATOM 146 H HIS A 11 -0.986 7.468 -14.077 1.00 94.22 H
|
| 147 |
+
ATOM 147 CA HIS A 11 -2.783 7.683 -12.936 1.00 94.22 C
|
| 148 |
+
ATOM 148 HA HIS A 11 -3.014 8.637 -12.462 1.00 94.22 H
|
| 149 |
+
ATOM 149 C HIS A 11 -3.276 6.599 -11.976 1.00 94.22 C
|
| 150 |
+
ATOM 150 CB HIS A 11 -3.513 7.619 -14.283 1.00 94.22 C
|
| 151 |
+
ATOM 151 HB2 HIS A 11 -4.564 7.395 -14.101 1.00 94.22 H
|
| 152 |
+
ATOM 152 HB3 HIS A 11 -3.100 6.815 -14.893 1.00 94.22 H
|
| 153 |
+
ATOM 153 O HIS A 11 -3.917 6.923 -10.982 1.00 94.22 O
|
| 154 |
+
ATOM 154 CG HIS A 11 -3.448 8.923 -15.036 1.00 94.22 C
|
| 155 |
+
ATOM 155 CD2 HIS A 11 -2.909 9.145 -16.274 1.00 94.22 C
|
| 156 |
+
ATOM 156 HD2 HIS A 11 -2.443 8.401 -16.904 1.00 94.22 H
|
| 157 |
+
ATOM 157 ND1 HIS A 11 -3.949 10.124 -14.593 1.00 94.22 N
|
| 158 |
+
ATOM 158 HD1 HIS A 11 -4.437 10.274 -13.721 1.00 94.22 H
|
| 159 |
+
ATOM 159 CE1 HIS A 11 -3.708 11.049 -15.535 1.00 94.22 C
|
| 160 |
+
ATOM 160 HE1 HIS A 11 -3.989 12.090 -15.467 1.00 94.22 H
|
| 161 |
+
ATOM 161 NE2 HIS A 11 -3.077 10.500 -16.585 1.00 94.22 N
|
| 162 |
+
ATOM 162 N LYS A 12 -2.880 5.340 -12.190 1.00 95.18 N
|
| 163 |
+
ATOM 163 H LYS A 12 -2.348 5.142 -13.026 1.00 95.18 H
|
| 164 |
+
ATOM 164 CA LYS A 12 -3.260 4.230 -11.304 1.00 95.18 C
|
| 165 |
+
ATOM 165 HA LYS A 12 -4.346 4.216 -11.210 1.00 95.18 H
|
| 166 |
+
ATOM 166 C LYS A 12 -2.710 4.391 -9.887 1.00 95.18 C
|
| 167 |
+
ATOM 167 CB LYS A 12 -2.792 2.905 -11.906 1.00 95.18 C
|
| 168 |
+
ATOM 168 HB2 LYS A 12 -1.735 2.979 -12.161 1.00 95.18 H
|
| 169 |
+
ATOM 169 HB3 LYS A 12 -2.921 2.116 -11.166 1.00 95.18 H
|
| 170 |
+
ATOM 170 O LYS A 12 -3.402 4.072 -8.924 1.00 95.18 O
|
| 171 |
+
ATOM 171 CG LYS A 12 -3.612 2.547 -13.150 1.00 95.18 C
|
| 172 |
+
ATOM 172 HG2 LYS A 12 -4.657 2.421 -12.865 1.00 95.18 H
|
| 173 |
+
ATOM 173 HG3 LYS A 12 -3.550 3.348 -13.887 1.00 95.18 H
|
| 174 |
+
ATOM 174 CD LYS A 12 -3.095 1.249 -13.768 1.00 95.18 C
|
| 175 |
+
ATOM 175 HD2 LYS A 12 -3.244 0.438 -13.056 1.00 95.18 H
|
| 176 |
+
ATOM 176 HD3 LYS A 12 -2.036 1.363 -14.000 1.00 95.18 H
|
| 177 |
+
ATOM 177 CE LYS A 12 -3.876 0.967 -15.048 1.00 95.18 C
|
| 178 |
+
ATOM 178 HE2 LYS A 12 -4.933 0.885 -14.795 1.00 95.18 H
|
| 179 |
+
ATOM 179 HE3 LYS A 12 -3.764 1.823 -15.714 1.00 95.18 H
|
| 180 |
+
ATOM 180 NZ LYS A 12 -3.400 -0.267 -15.715 1.00 95.18 N
|
| 181 |
+
ATOM 181 HZ1 LYS A 12 -3.928 -0.413 -16.563 1.00 95.18 H
|
| 182 |
+
ATOM 182 HZ2 LYS A 12 -3.517 -1.061 -15.102 1.00 95.18 H
|
| 183 |
+
ATOM 183 HZ3 LYS A 12 -2.428 -0.162 -15.970 1.00 95.18 H
|
| 184 |
+
ATOM 184 N ALA A 13 -1.484 4.901 -9.744 1.00 94.80 N
|
| 185 |
+
ATOM 185 H ALA A 13 -0.948 5.123 -10.571 1.00 94.80 H
|
| 186 |
+
ATOM 186 CA ALA A 13 -0.916 5.206 -8.434 1.00 94.80 C
|
| 187 |
+
ATOM 187 HA ALA A 13 -0.947 4.301 -7.827 1.00 94.80 H
|
| 188 |
+
ATOM 188 C ALA A 13 -1.743 6.275 -7.705 1.00 94.80 C
|
| 189 |
+
ATOM 189 CB ALA A 13 0.547 5.637 -8.588 1.00 94.80 C
|
| 190 |
+
ATOM 190 HB1 ALA A 13 1.119 4.856 -9.089 1.00 94.80 H
|
| 191 |
+
ATOM 191 HB2 ALA A 13 0.978 5.807 -7.602 1.00 94.80 H
|
| 192 |
+
ATOM 192 HB3 ALA A 13 0.612 6.557 -9.170 1.00 94.80 H
|
| 193 |
+
ATOM 193 O ALA A 13 -2.068 6.102 -6.532 1.00 94.80 O
|
| 194 |
+
ATOM 194 N ALA A 14 -2.127 7.347 -8.406 1.00 95.44 N
|
| 195 |
+
ATOM 195 H ALA A 14 -1.846 7.426 -9.372 1.00 95.44 H
|
| 196 |
+
ATOM 196 CA ALA A 14 -2.977 8.397 -7.855 1.00 95.44 C
|
| 197 |
+
ATOM 197 HA ALA A 14 -2.507 8.785 -6.951 1.00 95.44 H
|
| 198 |
+
ATOM 198 C ALA A 14 -4.358 7.859 -7.449 1.00 95.44 C
|
| 199 |
+
ATOM 199 CB ALA A 14 -3.075 9.544 -8.867 1.00 95.44 C
|
| 200 |
+
ATOM 200 HB1 ALA A 14 -3.520 9.192 -9.797 1.00 95.44 H
|
| 201 |
+
ATOM 201 HB2 ALA A 14 -3.703 10.335 -8.456 1.00 95.44 H
|
| 202 |
+
ATOM 202 HB3 ALA A 14 -2.082 9.945 -9.071 1.00 95.44 H
|
| 203 |
+
ATOM 203 O ALA A 14 -4.766 8.064 -6.308 1.00 95.44 O
|
| 204 |
+
ATOM 204 N GLU A 15 -5.024 7.093 -8.319 1.00 95.72 N
|
| 205 |
+
ATOM 205 H GLU A 15 -4.649 6.980 -9.250 1.00 95.72 H
|
| 206 |
+
ATOM 206 CA GLU A 15 -6.328 6.485 -8.023 1.00 95.72 C
|
| 207 |
+
ATOM 207 HA GLU A 15 -7.059 7.274 -7.844 1.00 95.72 H
|
| 208 |
+
ATOM 208 C GLU A 15 -6.267 5.607 -6.764 1.00 95.72 C
|
| 209 |
+
ATOM 209 CB GLU A 15 -6.794 5.622 -9.209 1.00 95.72 C
|
| 210 |
+
ATOM 210 HB2 GLU A 15 -5.991 4.946 -9.501 1.00 95.72 H
|
| 211 |
+
ATOM 211 HB3 GLU A 15 -7.639 5.016 -8.882 1.00 95.72 H
|
| 212 |
+
ATOM 212 O GLU A 15 -7.118 5.707 -5.879 1.00 95.72 O
|
| 213 |
+
ATOM 213 CG GLU A 15 -7.247 6.437 -10.427 1.00 95.72 C
|
| 214 |
+
ATOM 214 HG2 GLU A 15 -8.082 7.071 -10.131 1.00 95.72 H
|
| 215 |
+
ATOM 215 HG3 GLU A 15 -6.443 7.090 -10.766 1.00 95.72 H
|
| 216 |
+
ATOM 216 CD GLU A 15 -7.680 5.508 -11.571 1.00 95.72 C
|
| 217 |
+
ATOM 217 OE1 GLU A 15 -8.908 5.315 -11.727 1.00 95.72 O
|
| 218 |
+
ATOM 218 OE2 GLU A 15 -6.786 4.977 -12.276 1.00 95.72 O
|
| 219 |
+
ATOM 219 N HIS A 16 -5.234 4.769 -6.638 1.00 97.01 N
|
| 220 |
+
ATOM 220 H HIS A 16 -4.568 4.704 -7.394 1.00 97.01 H
|
| 221 |
+
ATOM 221 CA HIS A 16 -5.043 3.944 -5.450 1.00 97.01 C
|
| 222 |
+
ATOM 222 HA HIS A 16 -5.981 3.433 -5.234 1.00 97.01 H
|
| 223 |
+
ATOM 223 C HIS A 16 -4.723 4.768 -4.198 1.00 97.01 C
|
| 224 |
+
ATOM 224 CB HIS A 16 -3.969 2.890 -5.723 1.00 97.01 C
|
| 225 |
+
ATOM 225 HB2 HIS A 16 -3.119 3.345 -6.233 1.00 97.01 H
|
| 226 |
+
ATOM 226 HB3 HIS A 16 -3.625 2.501 -4.765 1.00 97.01 H
|
| 227 |
+
ATOM 227 O HIS A 16 -5.243 4.452 -3.130 1.00 97.01 O
|
| 228 |
+
ATOM 228 CG HIS A 16 -4.472 1.712 -6.509 1.00 97.01 C
|
| 229 |
+
ATOM 229 CD2 HIS A 16 -3.911 1.168 -7.630 1.00 97.01 C
|
| 230 |
+
ATOM 230 HD2 HIS A 16 -3.021 1.524 -8.128 1.00 97.01 H
|
| 231 |
+
ATOM 231 ND1 HIS A 16 -5.597 0.980 -6.216 1.00 97.01 N
|
| 232 |
+
ATOM 232 HD1 HIS A 16 -6.323 1.282 -5.583 1.00 97.01 H
|
| 233 |
+
ATOM 233 CE1 HIS A 16 -5.709 0.010 -7.137 1.00 97.01 C
|
| 234 |
+
ATOM 234 HE1 HIS A 16 -6.539 -0.675 -7.224 1.00 97.01 H
|
| 235 |
+
ATOM 235 NE2 HIS A 16 -4.697 0.074 -8.011 1.00 97.01 N
|
| 236 |
+
ATOM 236 N HIS A 17 -3.946 5.848 -4.302 1.00 96.21 N
|
| 237 |
+
ATOM 237 H HIS A 17 -3.533 6.073 -5.196 1.00 96.21 H
|
| 238 |
+
ATOM 238 CA HIS A 17 -3.724 6.760 -3.178 1.00 96.21 C
|
| 239 |
+
ATOM 239 HA HIS A 17 -3.367 6.177 -2.329 1.00 96.21 H
|
| 240 |
+
ATOM 240 C HIS A 17 -5.014 7.448 -2.716 1.00 96.21 C
|
| 241 |
+
ATOM 241 CB HIS A 17 -2.660 7.804 -3.537 1.00 96.21 C
|
| 242 |
+
ATOM 242 HB2 HIS A 17 -2.828 8.174 -4.548 1.00 96.21 H
|
| 243 |
+
ATOM 243 HB3 HIS A 17 -2.756 8.651 -2.857 1.00 96.21 H
|
| 244 |
+
ATOM 244 O HIS A 17 -5.241 7.555 -1.512 1.00 96.21 O
|
| 245 |
+
ATOM 245 CG HIS A 17 -1.251 7.291 -3.412 1.00 96.21 C
|
| 246 |
+
ATOM 246 CD2 HIS A 17 -0.254 7.397 -4.343 1.00 96.21 C
|
| 247 |
+
ATOM 247 HD2 HIS A 17 -0.348 7.839 -5.324 1.00 96.21 H
|
| 248 |
+
ATOM 248 ND1 HIS A 17 -0.708 6.681 -2.303 1.00 96.21 N
|
| 249 |
+
ATOM 249 HD1 HIS A 17 -1.200 6.466 -1.448 1.00 96.21 H
|
| 250 |
+
ATOM 250 CE1 HIS A 17 0.583 6.415 -2.566 1.00 96.21 C
|
| 251 |
+
ATOM 251 HE1 HIS A 17 1.272 5.926 -1.894 1.00 96.21 H
|
| 252 |
+
ATOM 252 NE2 HIS A 17 0.908 6.843 -3.794 1.00 96.21 N
|
| 253 |
+
ATOM 253 N GLU A 18 -5.884 7.868 -3.637 1.00 96.86 N
|
| 254 |
+
ATOM 254 H GLU A 18 -5.632 7.798 -4.612 1.00 96.86 H
|
| 255 |
+
ATOM 255 CA GLU A 18 -7.180 8.459 -3.292 1.00 96.86 C
|
| 256 |
+
ATOM 256 HA GLU A 18 -7.026 9.303 -2.619 1.00 96.86 H
|
| 257 |
+
ATOM 257 C GLU A 18 -8.086 7.457 -2.570 1.00 96.86 C
|
| 258 |
+
ATOM 258 CB GLU A 18 -7.892 8.961 -4.553 1.00 96.86 C
|
| 259 |
+
ATOM 259 HB2 GLU A 18 -7.929 8.162 -5.294 1.00 96.86 H
|
| 260 |
+
ATOM 260 HB3 GLU A 18 -8.917 9.218 -4.286 1.00 96.86 H
|
| 261 |
+
ATOM 261 O GLU A 18 -8.732 7.806 -1.580 1.00 96.86 O
|
| 262 |
+
ATOM 262 CG GLU A 18 -7.237 10.201 -5.167 1.00 96.86 C
|
| 263 |
+
ATOM 263 HG2 GLU A 18 -6.210 9.986 -5.461 1.00 96.86 H
|
| 264 |
+
ATOM 264 HG3 GLU A 18 -7.210 10.994 -4.421 1.00 96.86 H
|
| 265 |
+
ATOM 265 CD GLU A 18 -8.052 10.649 -6.382 1.00 96.86 C
|
| 266 |
+
ATOM 266 OE1 GLU A 18 -8.938 11.514 -6.185 1.00 96.86 O
|
| 267 |
+
ATOM 267 OE2 GLU A 18 -7.847 10.075 -7.473 1.00 96.86 O
|
| 268 |
+
ATOM 268 N GLN A 19 -8.120 6.201 -3.025 1.00 96.95 N
|
| 269 |
+
ATOM 269 H GLN A 19 -7.586 5.974 -3.852 1.00 96.95 H
|
| 270 |
+
ATOM 270 CA GLN A 19 -8.870 5.144 -2.340 1.00 96.95 C
|
| 271 |
+
ATOM 271 HA GLN A 19 -9.886 5.496 -2.159 1.00 96.95 H
|
| 272 |
+
ATOM 272 C GLN A 19 -8.269 4.836 -0.964 1.00 96.95 C
|
| 273 |
+
ATOM 273 CB GLN A 19 -8.945 3.876 -3.202 1.00 96.95 C
|
| 274 |
+
ATOM 274 HB2 GLN A 19 -7.935 3.536 -3.430 1.00 96.95 H
|
| 275 |
+
ATOM 275 HB3 GLN A 19 -9.444 3.096 -2.627 1.00 96.95 H
|
| 276 |
+
ATOM 276 O GLN A 19 -9.004 4.783 0.022 1.00 96.95 O
|
| 277 |
+
ATOM 277 CG GLN A 19 -9.714 4.065 -4.519 1.00 96.95 C
|
| 278 |
+
ATOM 278 HG2 GLN A 19 -9.226 4.830 -5.123 1.00 96.95 H
|
| 279 |
+
ATOM 279 HG3 GLN A 19 -9.675 3.131 -5.079 1.00 96.95 H
|
| 280 |
+
ATOM 280 CD GLN A 19 -11.178 4.458 -4.359 1.00 96.95 C
|
| 281 |
+
ATOM 281 NE2 GLN A 19 -11.780 5.035 -5.378 1.00 96.95 N
|
| 282 |
+
ATOM 282 HE21 GLN A 19 -11.267 5.131 -6.243 1.00 96.95 H
|
| 283 |
+
ATOM 283 HE22 GLN A 19 -12.789 5.013 -5.339 1.00 96.95 H
|
| 284 |
+
ATOM 284 OE1 GLN A 19 -11.831 4.275 -3.349 1.00 96.95 O
|
| 285 |
+
ATOM 285 N ALA A 20 -6.942 4.719 -0.860 1.00 96.50 N
|
| 286 |
+
ATOM 286 H ALA A 20 -6.380 4.774 -1.697 1.00 96.50 H
|
| 287 |
+
ATOM 287 CA ALA A 20 -6.261 4.526 0.418 1.00 96.50 C
|
| 288 |
+
ATOM 288 HA ALA A 20 -6.604 3.589 0.855 1.00 96.50 H
|
| 289 |
+
ATOM 289 C ALA A 20 -6.595 5.652 1.407 1.00 96.50 C
|
| 290 |
+
ATOM 290 CB ALA A 20 -4.748 4.429 0.188 1.00 96.50 C
|
| 291 |
+
ATOM 291 HB1 ALA A 20 -4.367 5.365 -0.221 1.00 96.50 H
|
| 292 |
+
ATOM 292 HB2 ALA A 20 -4.251 4.224 1.136 1.00 96.50 H
|
| 293 |
+
ATOM 293 HB3 ALA A 20 -4.521 3.619 -0.505 1.00 96.50 H
|
| 294 |
+
ATOM 294 O ALA A 20 -6.932 5.376 2.555 1.00 96.50 O
|
| 295 |
+
ATOM 295 N ALA A 21 -6.579 6.911 0.958 1.00 96.67 N
|
| 296 |
+
ATOM 296 H ALA A 21 -6.286 7.085 0.007 1.00 96.67 H
|
| 297 |
+
ATOM 297 CA ALA A 21 -6.932 8.055 1.792 1.00 96.67 C
|
| 298 |
+
ATOM 298 HA ALA A 21 -6.288 8.053 2.671 1.00 96.67 H
|
| 299 |
+
ATOM 299 C ALA A 21 -8.385 7.971 2.283 1.00 96.67 C
|
| 300 |
+
ATOM 300 CB ALA A 21 -6.668 9.347 1.011 1.00 96.67 C
|
| 301 |
+
ATOM 301 HB1 ALA A 21 -6.835 10.205 1.663 1.00 96.67 H
|
| 302 |
+
ATOM 302 HB2 ALA A 21 -5.636 9.364 0.662 1.00 96.67 H
|
| 303 |
+
ATOM 303 HB3 ALA A 21 -7.337 9.415 0.153 1.00 96.67 H
|
| 304 |
+
ATOM 304 O ALA A 21 -8.630 8.111 3.480 1.00 96.67 O
|
| 305 |
+
ATOM 305 N LYS A 22 -9.346 7.671 1.396 1.00 96.93 N
|
| 306 |
+
ATOM 306 H LYS A 22 -9.076 7.550 0.431 1.00 96.93 H
|
| 307 |
+
ATOM 307 CA LYS A 22 -10.762 7.485 1.772 1.00 96.93 C
|
| 308 |
+
ATOM 308 HA LYS A 22 -11.142 8.402 2.223 1.00 96.93 H
|
| 309 |
+
ATOM 309 C LYS A 22 -10.935 6.389 2.823 1.00 96.93 C
|
| 310 |
+
ATOM 310 CB LYS A 22 -11.603 7.141 0.535 1.00 96.93 C
|
| 311 |
+
ATOM 311 HB2 LYS A 22 -11.132 6.315 0.002 1.00 96.93 H
|
| 312 |
+
ATOM 312 HB3 LYS A 22 -12.591 6.812 0.858 1.00 96.93 H
|
| 313 |
+
ATOM 313 O LYS A 22 -11.639 6.594 3.809 1.00 96.93 O
|
| 314 |
+
ATOM 314 CG LYS A 22 -11.784 8.335 -0.410 1.00 96.93 C
|
| 315 |
+
ATOM 315 HG2 LYS A 22 -12.412 9.086 0.070 1.00 96.93 H
|
| 316 |
+
ATOM 316 HG3 LYS A 22 -10.817 8.789 -0.628 1.00 96.93 H
|
| 317 |
+
ATOM 317 CD LYS A 22 -12.439 7.875 -1.717 1.00 96.93 C
|
| 318 |
+
ATOM 318 HD2 LYS A 22 -11.881 7.026 -2.112 1.00 96.93 H
|
| 319 |
+
ATOM 319 HD3 LYS A 22 -13.467 7.568 -1.523 1.00 96.93 H
|
| 320 |
+
ATOM 320 CE LYS A 22 -12.403 9.014 -2.739 1.00 96.93 C
|
| 321 |
+
ATOM 321 HE2 LYS A 22 -12.999 9.848 -2.370 1.00 96.93 H
|
| 322 |
+
ATOM 322 HE3 LYS A 22 -11.371 9.353 -2.824 1.00 96.93 H
|
| 323 |
+
ATOM 323 NZ LYS A 22 -12.884 8.560 -4.065 1.00 96.93 N
|
| 324 |
+
ATOM 324 HZ1 LYS A 22 -12.341 7.761 -4.359 1.00 96.93 H
|
| 325 |
+
ATOM 325 HZ2 LYS A 22 -12.745 9.288 -4.751 1.00 96.93 H
|
| 326 |
+
ATOM 326 HZ3 LYS A 22 -13.859 8.300 -4.026 1.00 96.93 H
|
| 327 |
+
ATOM 327 N HIS A 23 -10.273 5.248 2.642 1.00 97.08 N
|
| 328 |
+
ATOM 328 H HIS A 23 -9.720 5.135 1.804 1.00 97.08 H
|
| 329 |
+
ATOM 329 CA HIS A 23 -10.332 4.150 3.603 1.00 97.08 C
|
| 330 |
+
ATOM 330 HA HIS A 23 -11.377 3.972 3.854 1.00 97.08 H
|
| 331 |
+
ATOM 331 C HIS A 23 -9.635 4.497 4.927 1.00 97.08 C
|
| 332 |
+
ATOM 332 CB HIS A 23 -9.783 2.869 2.964 1.00 97.08 C
|
| 333 |
+
ATOM 333 HB2 HIS A 23 -8.867 3.085 2.414 1.00 97.08 H
|
| 334 |
+
ATOM 334 HB3 HIS A 23 -9.549 2.163 3.761 1.00 97.08 H
|
| 335 |
+
ATOM 335 O HIS A 23 -10.167 4.163 5.979 1.00 97.08 O
|
| 336 |
+
ATOM 336 CG HIS A 23 -10.776 2.183 2.065 1.00 97.08 C
|
| 337 |
+
ATOM 337 CD2 HIS A 23 -10.819 2.212 0.697 1.00 97.08 C
|
| 338 |
+
ATOM 338 HD2 HIS A 23 -10.134 2.724 0.037 1.00 97.08 H
|
| 339 |
+
ATOM 339 ND1 HIS A 23 -11.812 1.378 2.483 1.00 97.08 N
|
| 340 |
+
ATOM 340 HD1 HIS A 23 -11.922 0.980 3.405 1.00 97.08 H
|
| 341 |
+
ATOM 341 CE1 HIS A 23 -12.483 0.967 1.395 1.00 97.08 C
|
| 342 |
+
ATOM 342 HE1 HIS A 23 -13.313 0.277 1.399 1.00 97.08 H
|
| 343 |
+
ATOM 343 NE2 HIS A 23 -11.914 1.452 0.285 1.00 97.08 N
|
| 344 |
+
ATOM 344 N HIS A 24 -8.518 5.230 4.914 1.00 96.36 N
|
| 345 |
+
ATOM 345 H HIS A 24 -8.083 5.449 4.028 1.00 96.36 H
|
| 346 |
+
ATOM 346 CA HIS A 24 -7.888 5.729 6.140 1.00 96.36 C
|
| 347 |
+
ATOM 347 HA HIS A 24 -7.730 4.886 6.813 1.00 96.36 H
|
| 348 |
+
ATOM 348 C HIS A 24 -8.774 6.722 6.898 1.00 96.36 C
|
| 349 |
+
ATOM 349 CB HIS A 24 -6.528 6.366 5.829 1.00 96.36 C
|
| 350 |
+
ATOM 350 HB2 HIS A 24 -6.250 7.020 6.656 1.00 96.36 H
|
| 351 |
+
ATOM 351 HB3 HIS A 24 -6.603 6.984 4.934 1.00 96.36 H
|
| 352 |
+
ATOM 352 O HIS A 24 -8.850 6.640 8.122 1.00 96.36 O
|
| 353 |
+
ATOM 353 CG HIS A 24 -5.417 5.363 5.669 1.00 96.36 C
|
| 354 |
+
ATOM 354 CD2 HIS A 24 -4.530 5.280 4.631 1.00 96.36 C
|
| 355 |
+
ATOM 355 HD2 HIS A 24 -4.517 5.913 3.756 1.00 96.36 H
|
| 356 |
+
ATOM 356 ND1 HIS A 24 -5.074 4.385 6.575 1.00 96.36 N
|
| 357 |
+
ATOM 357 HD1 HIS A 24 -5.543 4.188 7.447 1.00 96.36 H
|
| 358 |
+
ATOM 358 CE1 HIS A 24 -4.015 3.718 6.086 1.00 96.36 C
|
| 359 |
+
ATOM 359 HE1 HIS A 24 -3.532 2.879 6.566 1.00 96.36 H
|
| 360 |
+
ATOM 360 NE2 HIS A 24 -3.643 4.232 4.904 1.00 96.36 N
|
| 361 |
+
ATOM 361 N HIS A 25 -9.473 7.621 6.197 1.00 97.02 N
|
| 362 |
+
ATOM 362 H HIS A 25 -9.330 7.681 5.199 1.00 97.02 H
|
| 363 |
+
ATOM 363 CA HIS A 25 -10.443 8.523 6.820 1.00 97.02 C
|
| 364 |
+
ATOM 364 HA HIS A 25 -9.944 9.075 7.617 1.00 97.02 H
|
| 365 |
+
ATOM 365 C HIS A 25 -11.582 7.744 7.487 1.00 97.02 C
|
| 366 |
+
ATOM 366 CB HIS A 25 -10.972 9.531 5.791 1.00 97.02 C
|
| 367 |
+
ATOM 367 HB2 HIS A 25 -11.235 9.017 4.867 1.00 97.02 H
|
| 368 |
+
ATOM 368 HB3 HIS A 25 -11.879 9.988 6.187 1.00 97.02 H
|
| 369 |
+
ATOM 369 O HIS A 25 -11.833 7.950 8.670 1.00 97.02 O
|
| 370 |
+
ATOM 370 CG HIS A 25 -9.991 10.638 5.501 1.00 97.02 C
|
| 371 |
+
ATOM 371 CD2 HIS A 25 -9.408 10.941 4.300 1.00 97.02 C
|
| 372 |
+
ATOM 372 HD2 HIS A 25 -9.573 10.422 3.367 1.00 97.02 H
|
| 373 |
+
ATOM 373 ND1 HIS A 25 -9.537 11.563 6.412 1.00 97.02 N
|
| 374 |
+
ATOM 374 HD1 HIS A 25 -9.812 11.618 7.382 1.00 97.02 H
|
| 375 |
+
ATOM 375 CE1 HIS A 25 -8.692 12.392 5.779 1.00 97.02 C
|
| 376 |
+
ATOM 376 HE1 HIS A 25 -8.179 13.223 6.239 1.00 97.02 H
|
| 377 |
+
ATOM 377 NE2 HIS A 25 -8.579 12.053 4.485 1.00 97.02 N
|
| 378 |
+
ATOM 378 N ALA A 26 -12.186 6.780 6.786 1.00 96.18 N
|
| 379 |
+
ATOM 379 H ALA A 26 -11.959 6.668 5.809 1.00 96.18 H
|
| 380 |
+
ATOM 380 CA ALA A 26 -13.232 5.937 7.364 1.00 96.18 C
|
| 381 |
+
ATOM 381 HA ALA A 26 -14.036 6.578 7.726 1.00 96.18 H
|
| 382 |
+
ATOM 382 C ALA A 26 -12.719 5.106 8.558 1.00 96.18 C
|
| 383 |
+
ATOM 383 CB ALA A 26 -13.785 5.037 6.256 1.00 96.18 C
|
| 384 |
+
ATOM 384 HB1 ALA A 26 -14.612 4.446 6.650 1.00 96.18 H
|
| 385 |
+
ATOM 385 HB2 ALA A 26 -14.150 5.650 5.433 1.00 96.18 H
|
| 386 |
+
ATOM 386 HB3 ALA A 26 -13.001 4.371 5.896 1.00 96.18 H
|
| 387 |
+
ATOM 387 O ALA A 26 -13.407 4.972 9.569 1.00 96.18 O
|
| 388 |
+
ATOM 388 N ALA A 27 -11.489 4.584 8.477 1.00 96.31 N
|
| 389 |
+
ATOM 389 H ALA A 27 -10.969 4.696 7.617 1.00 96.31 H
|
| 390 |
+
ATOM 390 CA ALA A 27 -10.855 3.874 9.584 1.00 96.31 C
|
| 391 |
+
ATOM 391 HA ALA A 27 -11.500 3.040 9.864 1.00 96.31 H
|
| 392 |
+
ATOM 392 C ALA A 27 -10.698 4.776 10.814 1.00 96.31 C
|
| 393 |
+
ATOM 393 CB ALA A 27 -9.494 3.319 9.144 1.00 96.31 C
|
| 394 |
+
ATOM 394 HB1 ALA A 27 -8.814 4.137 8.908 1.00 96.31 H
|
| 395 |
+
ATOM 395 HB2 ALA A 27 -9.605 2.684 8.265 1.00 96.31 H
|
| 396 |
+
ATOM 396 HB3 ALA A 27 -9.068 2.726 9.954 1.00 96.31 H
|
| 397 |
+
ATOM 397 O ALA A 27 -11.002 4.339 11.921 1.00 96.31 O
|
| 398 |
+
ATOM 398 N ALA A 28 -10.264 6.027 10.622 1.00 96.84 N
|
| 399 |
+
ATOM 399 H ALA A 28 -10.044 6.327 9.683 1.00 96.84 H
|
| 400 |
+
ATOM 400 CA ALA A 28 -10.156 7.011 11.694 1.00 96.84 C
|
| 401 |
+
ATOM 401 HA ALA A 28 -9.531 6.595 12.484 1.00 96.84 H
|
| 402 |
+
ATOM 402 C ALA A 28 -11.529 7.310 12.315 1.00 96.84 C
|
| 403 |
+
ATOM 403 CB ALA A 28 -9.470 8.273 11.157 1.00 96.84 C
|
| 404 |
+
ATOM 404 HB1 ALA A 28 -9.346 8.988 11.970 1.00 96.84 H
|
| 405 |
+
ATOM 405 HB2 ALA A 28 -8.493 8.020 10.748 1.00 96.84 H
|
| 406 |
+
ATOM 406 HB3 ALA A 28 -10.080 8.733 10.380 1.00 96.84 H
|
| 407 |
+
ATOM 407 O ALA A 28 -11.667 7.199 13.529 1.00 96.84 O
|
| 408 |
+
ATOM 408 N GLU A 29 -12.557 7.562 11.498 1.00 96.76 N
|
| 409 |
+
ATOM 409 H GLU A 29 -12.380 7.649 10.508 1.00 96.76 H
|
| 410 |
+
ATOM 410 CA GLU A 29 -13.919 7.820 11.985 1.00 96.76 C
|
| 411 |
+
ATOM 411 HA GLU A 29 -13.906 8.702 12.625 1.00 96.76 H
|
| 412 |
+
ATOM 412 C GLU A 29 -14.477 6.650 12.814 1.00 96.76 C
|
| 413 |
+
ATOM 413 CB GLU A 29 -14.870 8.070 10.803 1.00 96.76 C
|
| 414 |
+
ATOM 414 HB2 GLU A 29 -15.891 8.061 11.183 1.00 96.76 H
|
| 415 |
+
ATOM 415 HB3 GLU A 29 -14.777 7.254 10.085 1.00 96.76 H
|
| 416 |
+
ATOM 416 O GLU A 29 -15.069 6.862 13.874 1.00 96.76 O
|
| 417 |
+
ATOM 417 CG GLU A 29 -14.650 9.404 10.082 1.00 96.76 C
|
| 418 |
+
ATOM 418 HG2 GLU A 29 -14.750 10.216 10.802 1.00 96.76 H
|
| 419 |
+
ATOM 419 HG3 GLU A 29 -13.645 9.449 9.663 1.00 96.76 H
|
| 420 |
+
ATOM 420 CD GLU A 29 -15.695 9.565 8.972 1.00 96.76 C
|
| 421 |
+
ATOM 421 OE1 GLU A 29 -16.793 10.086 9.286 1.00 96.76 O
|
| 422 |
+
ATOM 422 OE2 GLU A 29 -15.428 9.114 7.835 1.00 96.76 O
|
| 423 |
+
ATOM 423 N HIS A 30 -14.288 5.405 12.366 1.00 96.83 N
|
| 424 |
+
ATOM 424 H HIS A 30 -13.845 5.278 11.467 1.00 96.83 H
|
| 425 |
+
ATOM 425 CA HIS A 30 -14.695 4.220 13.130 1.00 96.83 C
|
| 426 |
+
ATOM 426 HA HIS A 30 -15.732 4.337 13.444 1.00 96.83 H
|
| 427 |
+
ATOM 427 C HIS A 30 -13.869 4.048 14.408 1.00 96.83 C
|
| 428 |
+
ATOM 428 CB HIS A 30 -14.597 2.973 12.246 1.00 96.83 C
|
| 429 |
+
ATOM 429 HB2 HIS A 30 -13.658 2.984 11.693 1.00 96.83 H
|
| 430 |
+
ATOM 430 HB3 HIS A 30 -14.605 2.086 12.879 1.00 96.83 H
|
| 431 |
+
ATOM 431 O HIS A 30 -14.409 3.674 15.449 1.00 96.83 O
|
| 432 |
+
ATOM 432 CG HIS A 30 -15.752 2.853 11.291 1.00 96.83 C
|
| 433 |
+
ATOM 433 CD2 HIS A 30 -15.691 2.843 9.925 1.00 96.83 C
|
| 434 |
+
ATOM 434 HD2 HIS A 30 -14.797 2.922 9.325 1.00 96.83 H
|
| 435 |
+
ATOM 435 ND1 HIS A 30 -17.078 2.715 11.637 1.00 96.83 N
|
| 436 |
+
ATOM 436 HD1 HIS A 30 -17.487 2.755 12.560 1.00 96.83 H
|
| 437 |
+
ATOM 437 CE1 HIS A 30 -17.791 2.606 10.508 1.00 96.83 C
|
| 438 |
+
ATOM 438 HE1 HIS A 30 -18.860 2.462 10.469 1.00 96.83 H
|
| 439 |
+
ATOM 439 NE2 HIS A 30 -16.992 2.697 9.436 1.00 96.83 N
|
| 440 |
+
ATOM 440 N HIS A 31 -12.574 4.363 14.367 1.00 95.21 N
|
| 441 |
+
ATOM 441 H HIS A 31 -12.176 4.680 13.494 1.00 95.21 H
|
| 442 |
+
ATOM 442 CA HIS A 31 -11.711 4.300 15.541 1.00 95.21 C
|
| 443 |
+
ATOM 443 HA HIS A 31 -11.833 3.316 15.994 1.00 95.21 H
|
| 444 |
+
ATOM 444 C HIS A 31 -12.107 5.344 16.598 1.00 95.21 C
|
| 445 |
+
ATOM 445 CB HIS A 31 -10.250 4.450 15.100 1.00 95.21 C
|
| 446 |
+
ATOM 446 HB2 HIS A 31 -10.099 3.908 14.167 1.00 95.21 H
|
| 447 |
+
ATOM 447 HB3 HIS A 31 -10.018 5.500 14.924 1.00 95.21 H
|
| 448 |
+
ATOM 448 O HIS A 31 -12.078 5.045 17.791 1.00 95.21 O
|
| 449 |
+
ATOM 449 CG HIS A 31 -9.283 3.875 16.094 1.00 95.21 C
|
| 450 |
+
ATOM 450 CD2 HIS A 31 -8.567 2.718 15.949 1.00 95.21 C
|
| 451 |
+
ATOM 451 HD2 HIS A 31 -8.576 2.073 15.083 1.00 95.21 H
|
| 452 |
+
ATOM 452 ND1 HIS A 31 -9.008 4.374 17.343 1.00 95.21 N
|
| 453 |
+
ATOM 453 HD1 HIS A 31 -9.466 5.166 17.770 1.00 95.21 H
|
| 454 |
+
ATOM 454 CE1 HIS A 31 -8.136 3.543 17.936 1.00 95.21 C
|
| 455 |
+
ATOM 455 HE1 HIS A 31 -7.752 3.662 18.938 1.00 95.21 H
|
| 456 |
+
ATOM 456 NE2 HIS A 31 -7.850 2.506 17.131 1.00 95.21 N
|
| 457 |
+
ATOM 457 N GLU A 32 -12.531 6.540 16.178 1.00 96.11 N
|
| 458 |
+
ATOM 458 H GLU A 32 -12.462 6.751 15.193 1.00 96.11 H
|
| 459 |
+
ATOM 459 CA GLU A 32 -13.073 7.589 17.054 1.00 96.11 C
|
| 460 |
+
ATOM 460 HA GLU A 32 -12.389 7.753 17.887 1.00 96.11 H
|
| 461 |
+
ATOM 461 C GLU A 32 -14.428 7.199 17.669 1.00 96.11 C
|
| 462 |
+
ATOM 462 CB GLU A 32 -13.205 8.907 16.272 1.00 96.11 C
|
| 463 |
+
ATOM 463 HB2 GLU A 32 -13.778 9.612 16.874 1.00 96.11 H
|
| 464 |
+
ATOM 464 HB3 GLU A 32 -13.749 8.729 15.345 1.00 96.11 H
|
| 465 |
+
ATOM 465 O GLU A 32 -14.720 7.570 18.805 1.00 96.11 O
|
| 466 |
+
ATOM 466 CG GLU A 32 -11.843 9.544 15.961 1.00 96.11 C
|
| 467 |
+
ATOM 467 HG2 GLU A 32 -11.312 9.694 16.901 1.00 96.11 H
|
| 468 |
+
ATOM 468 HG3 GLU A 32 -11.236 8.872 15.356 1.00 96.11 H
|
| 469 |
+
ATOM 469 CD GLU A 32 -12.006 10.888 15.239 1.00 96.11 C
|
| 470 |
+
ATOM 470 OE1 GLU A 32 -11.742 11.924 15.894 1.00 96.11 O
|
| 471 |
+
ATOM 471 OE2 GLU A 32 -12.387 10.878 14.048 1.00 96.11 O
|
| 472 |
+
ATOM 472 N LYS A 33 -15.235 6.399 16.959 1.00 96.39 N
|
| 473 |
+
ATOM 473 H LYS A 33 -14.961 6.193 16.010 1.00 96.39 H
|
| 474 |
+
ATOM 474 CA LYS A 33 -16.507 5.841 17.459 1.00 96.39 C
|
| 475 |
+
ATOM 475 HA LYS A 33 -16.996 6.588 18.085 1.00 96.39 H
|
| 476 |
+
ATOM 476 C LYS A 33 -16.336 4.606 18.355 1.00 96.39 C
|
| 477 |
+
ATOM 477 CB LYS A 33 -17.423 5.523 16.268 1.00 96.39 C
|
| 478 |
+
ATOM 478 HB2 LYS A 33 -18.300 4.975 16.613 1.00 96.39 H
|
| 479 |
+
ATOM 479 HB3 LYS A 33 -16.881 4.882 15.573 1.00 96.39 H
|
| 480 |
+
ATOM 480 O LYS A 33 -17.319 4.137 18.926 1.00 96.39 O
|
| 481 |
+
ATOM 481 CG LYS A 33 -17.906 6.789 15.544 1.00 96.39 C
|
| 482 |
+
ATOM 482 HG2 LYS A 33 -18.621 7.319 16.172 1.00 96.39 H
|
| 483 |
+
ATOM 483 HG3 LYS A 33 -17.064 7.452 15.346 1.00 96.39 H
|
| 484 |
+
ATOM 484 CD LYS A 33 -18.565 6.405 14.217 1.00 96.39 C
|
| 485 |
+
ATOM 485 HD2 LYS A 33 -17.880 5.759 13.667 1.00 96.39 H
|
| 486 |
+
ATOM 486 HD3 LYS A 33 -19.486 5.854 14.404 1.00 96.39 H
|
| 487 |
+
ATOM 487 CE LYS A 33 -18.838 7.656 13.381 1.00 96.39 C
|
| 488 |
+
ATOM 488 HE2 LYS A 33 -19.618 8.250 13.859 1.00 96.39 H
|
| 489 |
+
ATOM 489 HE3 LYS A 33 -17.923 8.247 13.358 1.00 96.39 H
|
| 490 |
+
ATOM 490 NZ LYS A 33 -19.214 7.283 11.998 1.00 96.39 N
|
| 491 |
+
ATOM 491 HZ1 LYS A 33 -20.066 6.742 11.982 1.00 96.39 H
|
| 492 |
+
ATOM 492 HZ2 LYS A 33 -18.482 6.707 11.608 1.00 96.39 H
|
| 493 |
+
ATOM 493 HZ3 LYS A 33 -19.284 8.099 11.407 1.00 96.39 H
|
| 494 |
+
ATOM 494 N GLY A 34 -15.119 4.070 18.486 1.00 95.62 N
|
| 495 |
+
ATOM 495 H GLY A 34 -14.355 4.523 18.006 1.00 95.62 H
|
| 496 |
+
ATOM 496 CA GLY A 34 -14.844 2.821 19.213 1.00 95.62 C
|
| 497 |
+
ATOM 497 HA2 GLY A 34 -15.405 2.813 20.147 1.00 95.62 H
|
| 498 |
+
ATOM 498 HA3 GLY A 34 -13.780 2.782 19.448 1.00 95.62 H
|
| 499 |
+
ATOM 499 C GLY A 34 -15.197 1.547 18.433 1.00 95.62 C
|
| 500 |
+
ATOM 500 O GLY A 34 -15.198 0.451 18.990 1.00 95.62 O
|
| 501 |
+
ATOM 501 N GLU A 35 -15.477 1.660 17.136 1.00 96.04 N
|
| 502 |
+
ATOM 502 H GLU A 35 -15.379 2.571 16.711 1.00 96.04 H
|
| 503 |
+
ATOM 503 CA GLU A 35 -15.815 0.552 16.240 1.00 96.04 C
|
| 504 |
+
ATOM 504 HA GLU A 35 -16.342 -0.213 16.810 1.00 96.04 H
|
| 505 |
+
ATOM 505 C GLU A 35 -14.539 -0.096 15.676 1.00 96.04 C
|
| 506 |
+
ATOM 506 CB GLU A 35 -16.764 1.039 15.132 1.00 96.04 C
|
| 507 |
+
ATOM 507 HB2 GLU A 35 -16.272 1.829 14.565 1.00 96.04 H
|
| 508 |
+
ATOM 508 HB3 GLU A 35 -16.967 0.206 14.458 1.00 96.04 H
|
| 509 |
+
ATOM 509 O GLU A 35 -14.267 -0.058 14.474 1.00 96.04 O
|
| 510 |
+
ATOM 510 CG GLU A 35 -18.103 1.565 15.663 1.00 96.04 C
|
| 511 |
+
ATOM 511 HG2 GLU A 35 -17.929 2.376 16.370 1.00 96.04 H
|
| 512 |
+
ATOM 512 HG3 GLU A 35 -18.618 0.759 16.187 1.00 96.04 H
|
| 513 |
+
ATOM 513 CD GLU A 35 -18.967 2.087 14.510 1.00 96.04 C
|
| 514 |
+
ATOM 514 OE1 GLU A 35 -19.975 1.426 14.174 1.00 96.04 O
|
| 515 |
+
ATOM 515 OE2 GLU A 35 -18.591 3.129 13.922 1.00 96.04 O
|
| 516 |
+
ATOM 516 N HIS A 36 -13.723 -0.688 16.552 1.00 94.16 N
|
| 517 |
+
ATOM 517 H HIS A 36 -13.972 -0.624 17.529 1.00 94.16 H
|
| 518 |
+
ATOM 518 CA HIS A 36 -12.388 -1.189 16.198 1.00 94.16 C
|
| 519 |
+
ATOM 519 HA HIS A 36 -11.792 -0.343 15.855 1.00 94.16 H
|
| 520 |
+
ATOM 520 C HIS A 36 -12.377 -2.229 15.067 1.00 94.16 C
|
| 521 |
+
ATOM 521 CB HIS A 36 -11.714 -1.772 17.445 1.00 94.16 C
|
| 522 |
+
ATOM 522 HB2 HIS A 36 -12.323 -2.587 17.836 1.00 94.16 H
|
| 523 |
+
ATOM 523 HB3 HIS A 36 -10.745 -2.184 17.161 1.00 94.16 H
|
| 524 |
+
ATOM 524 O HIS A 36 -11.452 -2.227 14.260 1.00 94.16 O
|
| 525 |
+
ATOM 525 CG HIS A 36 -11.488 -0.751 18.528 1.00 94.16 C
|
| 526 |
+
ATOM 526 CD2 HIS A 36 -12.045 -0.753 19.779 1.00 94.16 C
|
| 527 |
+
ATOM 527 HD2 HIS A 36 -12.735 -1.488 20.166 1.00 94.16 H
|
| 528 |
+
ATOM 528 ND1 HIS A 36 -10.693 0.371 18.438 1.00 94.16 N
|
| 529 |
+
ATOM 529 HD1 HIS A 36 -10.137 0.662 17.647 1.00 94.16 H
|
| 530 |
+
ATOM 530 CE1 HIS A 36 -10.774 1.028 19.605 1.00 94.16 C
|
| 531 |
+
ATOM 531 HE1 HIS A 36 -10.264 1.953 19.830 1.00 94.16 H
|
| 532 |
+
ATOM 532 NE2 HIS A 36 -11.574 0.374 20.460 1.00 94.16 N
|
| 533 |
+
ATOM 533 N GLU A 37 -13.392 -3.092 14.971 1.00 94.72 N
|
| 534 |
+
ATOM 534 H GLU A 37 -14.120 -3.069 15.670 1.00 94.72 H
|
| 535 |
+
ATOM 535 CA GLU A 37 -13.482 -4.097 13.899 1.00 94.72 C
|
| 536 |
+
ATOM 536 HA GLU A 37 -12.561 -4.679 13.866 1.00 94.72 H
|
| 537 |
+
ATOM 537 C GLU A 37 -13.653 -3.446 12.519 1.00 94.72 C
|
| 538 |
+
ATOM 538 CB GLU A 37 -14.652 -5.055 14.174 1.00 94.72 C
|
| 539 |
+
ATOM 539 HB2 GLU A 37 -14.762 -5.721 13.318 1.00 94.72 H
|
| 540 |
+
ATOM 540 HB3 GLU A 37 -15.572 -4.480 14.281 1.00 94.72 H
|
| 541 |
+
ATOM 541 O GLU A 37 -12.955 -3.799 11.567 1.00 94.72 O
|
| 542 |
+
ATOM 542 CG GLU A 37 -14.433 -5.908 15.429 1.00 94.72 C
|
| 543 |
+
ATOM 543 HG2 GLU A 37 -14.349 -5.259 16.300 1.00 94.72 H
|
| 544 |
+
ATOM 544 HG3 GLU A 37 -13.496 -6.455 15.328 1.00 94.72 H
|
| 545 |
+
ATOM 545 CD GLU A 37 -15.596 -6.887 15.630 1.00 94.72 C
|
| 546 |
+
ATOM 546 OE1 GLU A 37 -15.438 -8.066 15.243 1.00 94.72 O
|
| 547 |
+
ATOM 547 OE2 GLU A 37 -16.632 -6.439 16.170 1.00 94.72 O
|
| 548 |
+
ATOM 548 N GLN A 38 -14.529 -2.440 12.419 1.00 94.73 N
|
| 549 |
+
ATOM 549 H GLN A 38 -14.996 -2.126 13.257 1.00 94.73 H
|
| 550 |
+
ATOM 550 CA GLN A 38 -14.730 -1.680 11.182 1.00 94.73 C
|
| 551 |
+
ATOM 551 HA GLN A 38 -14.870 -2.373 10.352 1.00 94.73 H
|
| 552 |
+
ATOM 552 C GLN A 38 -13.496 -0.835 10.863 1.00 94.73 C
|
| 553 |
+
ATOM 553 CB GLN A 38 -15.983 -0.799 11.299 1.00 94.73 C
|
| 554 |
+
ATOM 554 HB2 GLN A 38 -15.932 -0.207 12.213 1.00 94.73 H
|
| 555 |
+
ATOM 555 HB3 GLN A 38 -16.011 -0.116 10.450 1.00 94.73 H
|
| 556 |
+
ATOM 556 O GLN A 38 -13.040 -0.813 9.719 1.00 94.73 O
|
| 557 |
+
ATOM 557 CG GLN A 38 -17.275 -1.628 11.288 1.00 94.73 C
|
| 558 |
+
ATOM 558 HG2 GLN A 38 -17.242 -2.376 12.081 1.00 94.73 H
|
| 559 |
+
ATOM 559 HG3 GLN A 38 -17.365 -2.145 10.333 1.00 94.73 H
|
| 560 |
+
ATOM 560 CD GLN A 38 -18.502 -0.745 11.481 1.00 94.73 C
|
| 561 |
+
ATOM 561 NE2 GLN A 38 -19.043 -0.698 12.677 1.00 94.73 N
|
| 562 |
+
ATOM 562 HE21 GLN A 38 -19.672 0.066 12.882 1.00 94.73 H
|
| 563 |
+
ATOM 563 HE22 GLN A 38 -18.649 -1.218 13.448 1.00 94.73 H
|
| 564 |
+
ATOM 564 OE1 GLN A 38 -18.977 -0.095 10.567 1.00 94.73 O
|
| 565 |
+
ATOM 565 N ALA A 39 -12.898 -0.210 11.881 1.00 96.05 N
|
| 566 |
+
ATOM 566 H ALA A 39 -13.328 -0.247 12.794 1.00 96.05 H
|
| 567 |
+
ATOM 567 CA ALA A 39 -11.651 0.527 11.726 1.00 96.05 C
|
| 568 |
+
ATOM 568 HA ALA A 39 -11.823 1.336 11.016 1.00 96.05 H
|
| 569 |
+
ATOM 569 C ALA A 39 -10.531 -0.362 11.162 1.00 96.05 C
|
| 570 |
+
ATOM 570 CB ALA A 39 -11.261 1.141 13.074 1.00 96.05 C
|
| 571 |
+
ATOM 571 HB1 ALA A 39 -12.083 1.743 13.459 1.00 96.05 H
|
| 572 |
+
ATOM 572 HB2 ALA A 39 -11.023 0.356 13.792 1.00 96.05 H
|
| 573 |
+
ATOM 573 HB3 ALA A 39 -10.387 1.778 12.940 1.00 96.05 H
|
| 574 |
+
ATOM 574 O ALA A 39 -9.848 0.042 10.223 1.00 96.05 O
|
| 575 |
+
ATOM 575 N ALA A 40 -10.377 -1.586 11.678 1.00 96.11 N
|
| 576 |
+
ATOM 576 H ALA A 40 -10.958 -1.858 12.458 1.00 96.11 H
|
| 577 |
+
ATOM 577 CA ALA A 40 -9.382 -2.544 11.204 1.00 96.11 C
|
| 578 |
+
ATOM 578 HA ALA A 40 -8.400 -2.071 11.240 1.00 96.11 H
|
| 579 |
+
ATOM 579 C ALA A 40 -9.632 -2.969 9.750 1.00 96.11 C
|
| 580 |
+
ATOM 580 CB ALA A 40 -9.367 -3.751 12.148 1.00 96.11 C
|
| 581 |
+
ATOM 581 HB1 ALA A 40 -8.611 -4.464 11.818 1.00 96.11 H
|
| 582 |
+
ATOM 582 HB2 ALA A 40 -9.130 -3.425 13.161 1.00 96.11 H
|
| 583 |
+
ATOM 583 HB3 ALA A 40 -10.341 -4.240 12.148 1.00 96.11 H
|
| 584 |
+
ATOM 584 O ALA A 40 -8.696 -2.978 8.955 1.00 96.11 O
|
| 585 |
+
ATOM 585 N HIS A 41 -10.884 -3.249 9.374 1.00 96.28 N
|
| 586 |
+
ATOM 586 H HIS A 41 -11.611 -3.251 10.075 1.00 96.28 H
|
| 587 |
+
ATOM 587 CA HIS A 41 -11.238 -3.595 7.993 1.00 96.28 C
|
| 588 |
+
ATOM 588 HA HIS A 41 -10.663 -4.468 7.688 1.00 96.28 H
|
| 589 |
+
ATOM 589 C HIS A 41 -10.909 -2.457 7.011 1.00 96.28 C
|
| 590 |
+
ATOM 590 CB HIS A 41 -12.731 -3.946 7.944 1.00 96.28 C
|
| 591 |
+
ATOM 591 HB2 HIS A 41 -13.319 -3.099 8.297 1.00 96.28 H
|
| 592 |
+
ATOM 592 HB3 HIS A 41 -12.920 -4.785 8.613 1.00 96.28 H
|
| 593 |
+
ATOM 593 O HIS A 41 -10.319 -2.675 5.948 1.00 96.28 O
|
| 594 |
+
ATOM 594 CG HIS A 41 -13.198 -4.314 6.560 1.00 96.28 C
|
| 595 |
+
ATOM 595 CD2 HIS A 41 -13.210 -5.567 6.011 1.00 96.28 C
|
| 596 |
+
ATOM 596 HD2 HIS A 41 -12.899 -6.478 6.502 1.00 96.28 H
|
| 597 |
+
ATOM 597 ND1 HIS A 41 -13.645 -3.442 5.593 1.00 96.28 N
|
| 598 |
+
ATOM 598 HD1 HIS A 41 -13.752 -2.443 5.693 1.00 96.28 H
|
| 599 |
+
ATOM 599 CE1 HIS A 41 -13.907 -4.154 4.485 1.00 96.28 C
|
| 600 |
+
ATOM 600 HE1 HIS A 41 -14.256 -3.743 3.549 1.00 96.28 H
|
| 601 |
+
ATOM 601 NE2 HIS A 41 -13.678 -5.459 4.698 1.00 96.28 N
|
| 602 |
+
ATOM 602 N HIS A 42 -11.254 -1.220 7.377 1.00 96.75 N
|
| 603 |
+
ATOM 603 H HIS A 42 -11.742 -1.089 8.251 1.00 96.75 H
|
| 604 |
+
ATOM 604 CA HIS A 42 -10.915 -0.050 6.574 1.00 96.75 C
|
| 605 |
+
ATOM 605 HA HIS A 42 -11.226 -0.236 5.546 1.00 96.75 H
|
| 606 |
+
ATOM 606 C HIS A 42 -9.401 0.196 6.523 1.00 96.75 C
|
| 607 |
+
ATOM 607 CB HIS A 42 -11.685 1.171 7.090 1.00 96.75 C
|
| 608 |
+
ATOM 608 HB2 HIS A 42 -11.697 1.179 8.180 1.00 96.75 H
|
| 609 |
+
ATOM 609 HB3 HIS A 42 -11.174 2.072 6.749 1.00 96.75 H
|
| 610 |
+
ATOM 610 O HIS A 42 -8.886 0.523 5.457 1.00 96.75 O
|
| 611 |
+
ATOM 611 CG HIS A 42 -13.090 1.241 6.557 1.00 96.75 C
|
| 612 |
+
ATOM 612 CD2 HIS A 42 -14.244 0.885 7.202 1.00 96.75 C
|
| 613 |
+
ATOM 613 HD2 HIS A 42 -14.334 0.509 8.210 1.00 96.75 H
|
| 614 |
+
ATOM 614 ND1 HIS A 42 -13.447 1.699 5.308 1.00 96.75 N
|
| 615 |
+
ATOM 615 HD1 HIS A 42 -12.859 2.240 4.691 1.00 96.75 H
|
| 616 |
+
ATOM 616 CE1 HIS A 42 -14.781 1.601 5.198 1.00 96.75 C
|
| 617 |
+
ATOM 617 HE1 HIS A 42 -15.367 1.948 4.360 1.00 96.75 H
|
| 618 |
+
ATOM 618 NE2 HIS A 42 -15.304 1.095 6.318 1.00 96.75 N
|
| 619 |
+
ATOM 619 N ALA A 43 -8.674 -0.011 7.623 1.00 96.04 N
|
| 620 |
+
ATOM 620 H ALA A 43 -9.146 -0.264 8.480 1.00 96.04 H
|
| 621 |
+
ATOM 621 CA ALA A 43 -7.220 0.128 7.660 1.00 96.04 C
|
| 622 |
+
ATOM 622 HA ALA A 43 -6.960 1.115 7.277 1.00 96.04 H
|
| 623 |
+
ATOM 623 C ALA A 43 -6.507 -0.909 6.774 1.00 96.04 C
|
| 624 |
+
ATOM 624 CB ALA A 43 -6.754 0.039 9.117 1.00 96.04 C
|
| 625 |
+
ATOM 625 HB1 ALA A 43 -5.678 0.208 9.167 1.00 96.04 H
|
| 626 |
+
ATOM 626 HB2 ALA A 43 -7.261 0.795 9.717 1.00 96.04 H
|
| 627 |
+
ATOM 627 HB3 ALA A 43 -6.976 -0.949 9.519 1.00 96.04 H
|
| 628 |
+
ATOM 628 O ALA A 43 -5.582 -0.546 6.048 1.00 96.04 O
|
| 629 |
+
ATOM 629 N ASP A 44 -6.959 -2.166 6.782 1.00 96.85 N
|
| 630 |
+
ATOM 630 H ASP A 44 -7.686 -2.418 7.437 1.00 96.85 H
|
| 631 |
+
ATOM 631 CA ASP A 44 -6.435 -3.228 5.912 1.00 96.85 C
|
| 632 |
+
ATOM 632 HA ASP A 44 -5.360 -3.322 6.063 1.00 96.85 H
|
| 633 |
+
ATOM 633 C ASP A 44 -6.674 -2.905 4.430 1.00 96.85 C
|
| 634 |
+
ATOM 634 CB ASP A 44 -7.087 -4.561 6.302 1.00 96.85 C
|
| 635 |
+
ATOM 635 HB2 ASP A 44 -6.925 -4.739 7.365 1.00 96.85 H
|
| 636 |
+
ATOM 636 HB3 ASP A 44 -8.162 -4.511 6.128 1.00 96.85 H
|
| 637 |
+
ATOM 637 O ASP A 44 -5.746 -2.916 3.619 1.00 96.85 O
|
| 638 |
+
ATOM 638 CG ASP A 44 -6.484 -5.719 5.507 1.00 96.85 C
|
| 639 |
+
ATOM 639 OD1 ASP A 44 -7.114 -6.125 4.507 1.00 96.85 O
|
| 640 |
+
ATOM 640 OD2 ASP A 44 -5.391 -6.177 5.911 1.00 96.85 O
|
| 641 |
+
ATOM 641 N THR A 45 -7.893 -2.471 4.092 1.00 96.84 N
|
| 642 |
+
ATOM 642 H THR A 45 -8.609 -2.489 4.803 1.00 96.84 H
|
| 643 |
+
ATOM 643 CA THR A 45 -8.232 -2.060 2.720 1.00 96.84 C
|
| 644 |
+
ATOM 644 HA THR A 45 -8.006 -2.889 2.049 1.00 96.84 H
|
| 645 |
+
ATOM 645 C THR A 45 -7.403 -0.851 2.270 1.00 96.84 C
|
| 646 |
+
ATOM 646 CB THR A 45 -9.724 -1.723 2.590 1.00 96.84 C
|
| 647 |
+
ATOM 647 HB THR A 45 -9.942 -0.812 3.148 1.00 96.84 H
|
| 648 |
+
ATOM 648 O THR A 45 -6.917 -0.803 1.137 1.00 96.84 O
|
| 649 |
+
ATOM 649 CG2 THR A 45 -10.117 -1.526 1.126 1.00 96.84 C
|
| 650 |
+
ATOM 650 HG21 THR A 45 -9.675 -0.611 0.732 1.00 96.84 H
|
| 651 |
+
ATOM 651 HG22 THR A 45 -11.201 -1.455 1.042 1.00 96.84 H
|
| 652 |
+
ATOM 652 HG23 THR A 45 -9.777 -2.375 0.534 1.00 96.84 H
|
| 653 |
+
ATOM 653 OG1 THR A 45 -10.554 -2.752 3.080 1.00 96.84 O
|
| 654 |
+
ATOM 654 HG1 THR A 45 -10.335 -2.932 3.997 1.00 96.84 H
|
| 655 |
+
ATOM 655 N ALA A 46 -7.194 0.125 3.160 1.00 95.88 N
|
| 656 |
+
ATOM 656 H ALA A 46 -7.607 0.044 4.078 1.00 95.88 H
|
| 657 |
+
ATOM 657 CA ALA A 46 -6.346 1.278 2.883 1.00 95.88 C
|
| 658 |
+
ATOM 658 HA ALA A 46 -6.726 1.780 1.993 1.00 95.88 H
|
| 659 |
+
ATOM 659 C ALA A 46 -4.895 0.862 2.612 1.00 95.88 C
|
| 660 |
+
ATOM 660 CB ALA A 46 -6.408 2.247 4.065 1.00 95.88 C
|
| 661 |
+
ATOM 661 HB1 ALA A 46 -5.904 3.170 3.778 1.00 95.88 H
|
| 662 |
+
ATOM 662 HB2 ALA A 46 -5.910 1.818 4.934 1.00 95.88 H
|
| 663 |
+
ATOM 663 HB3 ALA A 46 -7.438 2.482 4.334 1.00 95.88 H
|
| 664 |
+
ATOM 664 O ALA A 46 -4.277 1.348 1.663 1.00 95.88 O
|
| 665 |
+
ATOM 665 N TYR A 47 -4.371 -0.076 3.405 1.00 96.20 N
|
| 666 |
+
ATOM 666 H TYR A 47 -4.935 -0.439 4.160 1.00 96.20 H
|
| 667 |
+
ATOM 667 CA TYR A 47 -3.027 -0.613 3.237 1.00 96.20 C
|
| 668 |
+
ATOM 668 HA TYR A 47 -2.323 0.219 3.233 1.00 96.20 H
|
| 669 |
+
ATOM 669 C TYR A 47 -2.863 -1.367 1.912 1.00 96.20 C
|
| 670 |
+
ATOM 670 CB TYR A 47 -2.695 -1.518 4.425 1.00 96.20 C
|
| 671 |
+
ATOM 671 HB2 TYR A 47 -3.391 -2.356 4.454 1.00 96.20 H
|
| 672 |
+
ATOM 672 HB3 TYR A 47 -2.820 -0.955 5.350 1.00 96.20 H
|
| 673 |
+
ATOM 673 O TYR A 47 -1.864 -1.171 1.217 1.00 96.20 O
|
| 674 |
+
ATOM 674 CG TYR A 47 -1.281 -2.051 4.374 1.00 96.20 C
|
| 675 |
+
ATOM 675 CD1 TYR A 47 -1.037 -3.381 3.981 1.00 96.20 C
|
| 676 |
+
ATOM 676 HD1 TYR A 47 -1.864 -4.028 3.728 1.00 96.20 H
|
| 677 |
+
ATOM 677 CD2 TYR A 47 -0.210 -1.200 4.701 1.00 96.20 C
|
| 678 |
+
ATOM 678 HD2 TYR A 47 -0.409 -0.178 4.989 1.00 96.20 H
|
| 679 |
+
ATOM 679 CE1 TYR A 47 0.283 -3.870 3.941 1.00 96.20 C
|
| 680 |
+
ATOM 680 HE1 TYR A 47 0.475 -4.895 3.661 1.00 96.20 H
|
| 681 |
+
ATOM 681 CE2 TYR A 47 1.108 -1.687 4.680 1.00 96.20 C
|
| 682 |
+
ATOM 682 HE2 TYR A 47 1.922 -1.033 4.955 1.00 96.20 H
|
| 683 |
+
ATOM 683 OH TYR A 47 2.623 -3.507 4.348 1.00 96.20 O
|
| 684 |
+
ATOM 684 HH TYR A 47 3.193 -2.903 4.830 1.00 96.20 H
|
| 685 |
+
ATOM 685 CZ TYR A 47 1.351 -3.030 4.317 1.00 96.20 C
|
| 686 |
+
ATOM 686 N ALA A 48 -3.854 -2.170 1.515 1.00 96.96 N
|
| 687 |
+
ATOM 687 H ALA A 48 -4.622 -2.342 2.148 1.00 96.96 H
|
| 688 |
+
ATOM 688 CA ALA A 48 -3.855 -2.850 0.220 1.00 96.96 C
|
| 689 |
+
ATOM 689 HA ALA A 48 -2.973 -3.488 0.158 1.00 96.96 H
|
| 690 |
+
ATOM 690 C ALA A 48 -3.788 -1.846 -0.945 1.00 96.96 C
|
| 691 |
+
ATOM 691 CB ALA A 48 -5.101 -3.737 0.137 1.00 96.96 C
|
| 692 |
+
ATOM 692 HB1 ALA A 48 -5.094 -4.292 -0.801 1.00 96.96 H
|
| 693 |
+
ATOM 693 HB2 ALA A 48 -5.108 -4.444 0.966 1.00 96.96 H
|
| 694 |
+
ATOM 694 HB3 ALA A 48 -6.005 -3.130 0.186 1.00 96.96 H
|
| 695 |
+
ATOM 695 O ALA A 48 -2.965 -1.983 -1.852 1.00 96.96 O
|
| 696 |
+
ATOM 696 N HIS A 49 -4.590 -0.779 -0.890 1.00 96.96 N
|
| 697 |
+
ATOM 697 H HIS A 49 -5.261 -0.717 -0.138 1.00 96.96 H
|
| 698 |
+
ATOM 698 CA HIS A 49 -4.522 0.297 -1.877 1.00 96.96 C
|
| 699 |
+
ATOM 699 HA HIS A 49 -4.606 -0.142 -2.871 1.00 96.96 H
|
| 700 |
+
ATOM 700 C HIS A 49 -3.183 1.036 -1.859 1.00 96.96 C
|
| 701 |
+
ATOM 701 CB HIS A 49 -5.686 1.265 -1.659 1.00 96.96 C
|
| 702 |
+
ATOM 702 HB2 HIS A 49 -5.820 1.459 -0.595 1.00 96.96 H
|
| 703 |
+
ATOM 703 HB3 HIS A 49 -5.447 2.209 -2.149 1.00 96.96 H
|
| 704 |
+
ATOM 704 O HIS A 49 -2.627 1.304 -2.922 1.00 96.96 O
|
| 705 |
+
ATOM 705 CG HIS A 49 -6.970 0.777 -2.259 1.00 96.96 C
|
| 706 |
+
ATOM 706 CD2 HIS A 49 -8.196 0.724 -1.657 1.00 96.96 C
|
| 707 |
+
ATOM 707 HD2 HIS A 49 -8.421 1.011 -0.641 1.00 96.96 H
|
| 708 |
+
ATOM 708 ND1 HIS A 49 -7.119 0.308 -3.543 1.00 96.96 N
|
| 709 |
+
ATOM 709 HD1 HIS A 49 -6.354 0.038 -4.145 1.00 96.96 H
|
| 710 |
+
ATOM 710 CE1 HIS A 49 -8.413 -0.003 -3.720 1.00 96.96 C
|
| 711 |
+
ATOM 711 HE1 HIS A 49 -8.835 -0.452 -4.607 1.00 96.96 H
|
| 712 |
+
ATOM 712 NE2 HIS A 49 -9.106 0.243 -2.604 1.00 96.96 N
|
| 713 |
+
ATOM 713 N HIS A 50 -2.626 1.322 -0.683 1.00 96.12 N
|
| 714 |
+
ATOM 714 H HIS A 50 -3.134 1.101 0.161 1.00 96.12 H
|
| 715 |
+
ATOM 715 CA HIS A 50 -1.299 1.920 -0.565 1.00 96.12 C
|
| 716 |
+
ATOM 716 HA HIS A 50 -1.305 2.888 -1.067 1.00 96.12 H
|
| 717 |
+
ATOM 717 C HIS A 50 -0.230 1.064 -1.256 1.00 96.12 C
|
| 718 |
+
ATOM 718 CB HIS A 50 -0.982 2.143 0.917 1.00 96.12 C
|
| 719 |
+
ATOM 719 HB2 HIS A 50 -1.634 2.924 1.309 1.00 96.12 H
|
| 720 |
+
ATOM 720 HB3 HIS A 50 -1.189 1.230 1.475 1.00 96.12 H
|
| 721 |
+
ATOM 721 O HIS A 50 0.549 1.599 -2.042 1.00 96.12 O
|
| 722 |
+
ATOM 722 CG HIS A 50 0.452 2.524 1.169 1.00 96.12 C
|
| 723 |
+
ATOM 723 CD2 HIS A 50 1.401 1.746 1.773 1.00 96.12 C
|
| 724 |
+
ATOM 724 HD2 HIS A 50 1.250 0.747 2.154 1.00 96.12 H
|
| 725 |
+
ATOM 725 ND1 HIS A 50 1.058 3.708 0.822 1.00 96.12 N
|
| 726 |
+
ATOM 726 HD1 HIS A 50 0.629 4.473 0.321 1.00 96.12 H
|
| 727 |
+
ATOM 727 CE1 HIS A 50 2.341 3.646 1.215 1.00 96.12 C
|
| 728 |
+
ATOM 728 HE1 HIS A 50 3.081 4.419 1.063 1.00 96.12 H
|
| 729 |
+
ATOM 729 NE2 HIS A 50 2.587 2.481 1.830 1.00 96.12 N
|
| 730 |
+
ATOM 730 N LYS A 51 -0.242 -0.258 -1.050 1.00 96.86 N
|
| 731 |
+
ATOM 731 H LYS A 51 -0.913 -0.633 -0.394 1.00 96.86 H
|
| 732 |
+
ATOM 732 CA LYS A 51 0.690 -1.181 -1.712 1.00 96.86 C
|
| 733 |
+
ATOM 733 HA LYS A 51 1.703 -0.834 -1.507 1.00 96.86 H
|
| 734 |
+
ATOM 734 C LYS A 51 0.571 -1.138 -3.229 1.00 96.86 C
|
| 735 |
+
ATOM 735 CB LYS A 51 0.476 -2.613 -1.187 1.00 96.86 C
|
| 736 |
+
ATOM 736 HB2 LYS A 51 -0.590 -2.841 -1.177 1.00 96.86 H
|
| 737 |
+
ATOM 737 HB3 LYS A 51 0.958 -3.324 -1.858 1.00 96.86 H
|
| 738 |
+
ATOM 738 O LYS A 51 1.582 -0.985 -3.909 1.00 96.86 O
|
| 739 |
+
ATOM 739 CG LYS A 51 1.042 -2.801 0.226 1.00 96.86 C
|
| 740 |
+
ATOM 740 HG2 LYS A 51 0.658 -3.727 0.653 1.00 96.86 H
|
| 741 |
+
ATOM 741 HG3 LYS A 51 0.726 -1.971 0.858 1.00 96.86 H
|
| 742 |
+
ATOM 742 CD LYS A 51 2.573 -2.870 0.171 1.00 96.86 C
|
| 743 |
+
ATOM 743 HD2 LYS A 51 2.953 -2.118 -0.521 1.00 96.86 H
|
| 744 |
+
ATOM 744 HD3 LYS A 51 2.881 -3.845 -0.206 1.00 96.86 H
|
| 745 |
+
ATOM 745 CE LYS A 51 3.182 -2.627 1.544 1.00 96.86 C
|
| 746 |
+
ATOM 746 HE2 LYS A 51 2.452 -2.085 2.146 1.00 96.86 H
|
| 747 |
+
ATOM 747 HE3 LYS A 51 3.387 -3.581 2.030 1.00 96.86 H
|
| 748 |
+
ATOM 748 NZ LYS A 51 4.402 -1.798 1.410 1.00 96.86 N
|
| 749 |
+
ATOM 749 HZ1 LYS A 51 4.779 -1.492 2.295 1.00 96.86 H
|
| 750 |
+
ATOM 750 HZ2 LYS A 51 5.108 -2.242 0.840 1.00 96.86 H
|
| 751 |
+
ATOM 751 HZ3 LYS A 51 4.175 -0.953 0.906 1.00 96.86 H
|
| 752 |
+
ATOM 752 N HIS A 52 -0.650 -1.175 -3.758 1.00 95.51 N
|
| 753 |
+
ATOM 753 H HIS A 52 -1.442 -1.328 -3.150 1.00 95.51 H
|
| 754 |
+
ATOM 754 CA HIS A 52 -0.854 -1.053 -5.201 1.00 95.51 C
|
| 755 |
+
ATOM 755 HA HIS A 52 -0.277 -1.826 -5.708 1.00 95.51 H
|
| 756 |
+
ATOM 756 C HIS A 52 -0.378 0.305 -5.733 1.00 95.51 C
|
| 757 |
+
ATOM 757 CB HIS A 52 -2.334 -1.243 -5.534 1.00 95.51 C
|
| 758 |
+
ATOM 758 HB2 HIS A 52 -2.462 -1.041 -6.598 1.00 95.51 H
|
| 759 |
+
ATOM 759 HB3 HIS A 52 -2.924 -0.513 -4.980 1.00 95.51 H
|
| 760 |
+
ATOM 760 O HIS A 52 0.211 0.379 -6.813 1.00 95.51 O
|
| 761 |
+
ATOM 761 CG HIS A 52 -2.898 -2.615 -5.276 1.00 95.51 C
|
| 762 |
+
ATOM 762 CD2 HIS A 52 -2.253 -3.741 -4.831 1.00 95.51 C
|
| 763 |
+
ATOM 763 HD2 HIS A 52 -1.205 -3.827 -4.583 1.00 95.51 H
|
| 764 |
+
ATOM 764 ND1 HIS A 52 -4.199 -2.969 -5.535 1.00 95.51 N
|
| 765 |
+
ATOM 765 HD1 HIS A 52 -4.887 -2.372 -5.972 1.00 95.51 H
|
| 766 |
+
ATOM 766 CE1 HIS A 52 -4.348 -4.267 -5.230 1.00 95.51 C
|
| 767 |
+
ATOM 767 HE1 HIS A 52 -5.261 -4.833 -5.340 1.00 95.51 H
|
| 768 |
+
ATOM 768 NE2 HIS A 52 -3.191 -4.782 -4.797 1.00 95.51 N
|
| 769 |
+
ATOM 769 N ALA A 53 -0.593 1.386 -4.979 1.00 95.39 N
|
| 770 |
+
ATOM 770 H ALA A 53 -1.094 1.286 -4.108 1.00 95.39 H
|
| 771 |
+
ATOM 771 CA ALA A 53 -0.102 2.706 -5.351 1.00 95.39 C
|
| 772 |
+
ATOM 772 HA ALA A 53 -0.481 2.932 -6.348 1.00 95.39 H
|
| 773 |
+
ATOM 773 C ALA A 53 1.433 2.747 -5.415 1.00 95.39 C
|
| 774 |
+
ATOM 774 CB ALA A 53 -0.650 3.753 -4.381 1.00 95.39 C
|
| 775 |
+
ATOM 775 HB1 ALA A 53 -0.439 4.740 -4.792 1.00 95.39 H
|
| 776 |
+
ATOM 776 HB2 ALA A 53 -0.173 3.659 -3.406 1.00 95.39 H
|
| 777 |
+
ATOM 777 HB3 ALA A 53 -1.729 3.651 -4.262 1.00 95.39 H
|
| 778 |
+
ATOM 778 O ALA A 53 1.983 3.246 -6.396 1.00 95.39 O
|
| 779 |
+
ATOM 779 N GLU A 54 2.120 2.163 -4.426 1.00 95.20 N
|
| 780 |
+
ATOM 780 H GLU A 54 1.605 1.781 -3.647 1.00 95.20 H
|
| 781 |
+
ATOM 781 CA GLU A 54 3.582 2.026 -4.419 1.00 95.20 C
|
| 782 |
+
ATOM 782 HA GLU A 54 4.035 3.015 -4.479 1.00 95.20 H
|
| 783 |
+
ATOM 783 C GLU A 54 4.082 1.217 -5.626 1.00 95.20 C
|
| 784 |
+
ATOM 784 CB GLU A 54 4.073 1.337 -3.131 1.00 95.20 C
|
| 785 |
+
ATOM 785 HB2 GLU A 54 3.552 0.388 -3.005 1.00 95.20 H
|
| 786 |
+
ATOM 786 HB3 GLU A 54 5.131 1.112 -3.262 1.00 95.20 H
|
| 787 |
+
ATOM 787 O GLU A 54 5.038 1.620 -6.288 1.00 95.20 O
|
| 788 |
+
ATOM 788 CG GLU A 54 3.938 2.153 -1.837 1.00 95.20 C
|
| 789 |
+
ATOM 789 HG2 GLU A 54 4.440 3.111 -1.973 1.00 95.20 H
|
| 790 |
+
ATOM 790 HG3 GLU A 54 2.890 2.357 -1.619 1.00 95.20 H
|
| 791 |
+
ATOM 791 CD GLU A 54 4.581 1.386 -0.666 1.00 95.20 C
|
| 792 |
+
ATOM 792 OE1 GLU A 54 5.721 1.741 -0.293 1.00 95.20 O
|
| 793 |
+
ATOM 793 OE2 GLU A 54 4.004 0.375 -0.184 1.00 95.20 O
|
| 794 |
+
ATOM 794 N GLU A 55 3.428 0.100 -5.958 1.00 95.13 N
|
| 795 |
+
ATOM 795 H GLU A 55 2.677 -0.211 -5.358 1.00 95.13 H
|
| 796 |
+
ATOM 796 CA GLU A 55 3.793 -0.730 -7.111 1.00 95.13 C
|
| 797 |
+
ATOM 797 HA GLU A 55 4.840 -1.019 -7.027 1.00 95.13 H
|
| 798 |
+
ATOM 798 C GLU A 55 3.626 0.014 -8.439 1.00 95.13 C
|
| 799 |
+
ATOM 799 CB GLU A 55 2.932 -1.998 -7.152 1.00 95.13 C
|
| 800 |
+
ATOM 800 HB2 GLU A 55 3.074 -2.480 -8.119 1.00 95.13 H
|
| 801 |
+
ATOM 801 HB3 GLU A 55 1.879 -1.733 -7.057 1.00 95.13 H
|
| 802 |
+
ATOM 802 O GLU A 55 4.477 -0.081 -9.330 1.00 95.13 O
|
| 803 |
+
ATOM 803 CG GLU A 55 3.316 -3.003 -6.065 1.00 95.13 C
|
| 804 |
+
ATOM 804 HG2 GLU A 55 3.188 -2.565 -5.075 1.00 95.13 H
|
| 805 |
+
ATOM 805 HG3 GLU A 55 4.369 -3.257 -6.179 1.00 95.13 H
|
| 806 |
+
ATOM 806 CD GLU A 55 2.456 -4.261 -6.202 1.00 95.13 C
|
| 807 |
+
ATOM 807 OE1 GLU A 55 2.976 -5.233 -6.799 1.00 95.13 O
|
| 808 |
+
ATOM 808 OE2 GLU A 55 1.292 -4.225 -5.746 1.00 95.13 O
|
| 809 |
+
ATOM 809 N HIS A 56 2.540 0.772 -8.588 1.00 93.97 N
|
| 810 |
+
ATOM 810 H HIS A 56 1.859 0.787 -7.842 1.00 93.97 H
|
| 811 |
+
ATOM 811 CA HIS A 56 2.318 1.604 -9.763 1.00 93.97 C
|
| 812 |
+
ATOM 812 HA HIS A 56 2.505 0.998 -10.650 1.00 93.97 H
|
| 813 |
+
ATOM 813 C HIS A 56 3.316 2.767 -9.827 1.00 93.97 C
|
| 814 |
+
ATOM 814 CB HIS A 56 0.854 2.059 -9.805 1.00 93.97 C
|
| 815 |
+
ATOM 815 HB2 HIS A 56 0.504 2.307 -8.802 1.00 93.97 H
|
| 816 |
+
ATOM 816 HB3 HIS A 56 0.784 2.959 -10.416 1.00 93.97 H
|
| 817 |
+
ATOM 817 O HIS A 56 3.918 2.977 -10.878 1.00 93.97 O
|
| 818 |
+
ATOM 818 CG HIS A 56 -0.043 1.025 -10.429 1.00 93.97 C
|
| 819 |
+
ATOM 819 CD2 HIS A 56 -0.975 0.237 -9.807 1.00 93.97 C
|
| 820 |
+
ATOM 820 HD2 HIS A 56 -1.228 0.248 -8.758 1.00 93.97 H
|
| 821 |
+
ATOM 821 ND1 HIS A 56 -0.031 0.666 -11.758 1.00 93.97 N
|
| 822 |
+
ATOM 822 HD1 HIS A 56 0.409 1.193 -12.499 1.00 93.97 H
|
| 823 |
+
ATOM 823 CE1 HIS A 56 -0.887 -0.352 -11.918 1.00 93.97 C
|
| 824 |
+
ATOM 824 HE1 HIS A 56 -1.098 -0.848 -12.854 1.00 93.97 H
|
| 825 |
+
ATOM 825 NE2 HIS A 56 -1.514 -0.623 -10.772 1.00 93.97 N
|
| 826 |
+
ATOM 826 N ALA A 57 3.582 3.456 -8.718 1.00 93.34 N
|
| 827 |
+
ATOM 827 H ALA A 57 3.072 3.236 -7.874 1.00 93.34 H
|
| 828 |
+
ATOM 828 CA ALA A 57 4.577 4.525 -8.654 1.00 93.34 C
|
| 829 |
+
ATOM 829 HA ALA A 57 4.322 5.285 -9.392 1.00 93.34 H
|
| 830 |
+
ATOM 830 C ALA A 57 5.991 4.015 -8.979 1.00 93.34 C
|
| 831 |
+
ATOM 831 CB ALA A 57 4.519 5.159 -7.261 1.00 93.34 C
|
| 832 |
+
ATOM 832 HB1 ALA A 57 3.520 5.551 -7.072 1.00 93.34 H
|
| 833 |
+
ATOM 833 HB2 ALA A 57 5.238 5.976 -7.198 1.00 93.34 H
|
| 834 |
+
ATOM 834 HB3 ALA A 57 4.757 4.416 -6.499 1.00 93.34 H
|
| 835 |
+
ATOM 835 O ALA A 57 6.725 4.652 -9.734 1.00 93.34 O
|
| 836 |
+
ATOM 836 N ALA A 58 6.360 2.832 -8.483 1.00 92.81 N
|
| 837 |
+
ATOM 837 H ALA A 58 5.747 2.374 -7.823 1.00 92.81 H
|
| 838 |
+
ATOM 838 CA ALA A 58 7.634 2.195 -8.796 1.00 92.81 C
|
| 839 |
+
ATOM 839 HA ALA A 58 8.438 2.896 -8.573 1.00 92.81 H
|
| 840 |
+
ATOM 840 C ALA A 58 7.741 1.820 -10.281 1.00 92.81 C
|
| 841 |
+
ATOM 841 CB ALA A 58 7.797 0.961 -7.902 1.00 92.81 C
|
| 842 |
+
ATOM 842 HB1 ALA A 58 7.753 1.261 -6.855 1.00 92.81 H
|
| 843 |
+
ATOM 843 HB2 ALA A 58 8.760 0.490 -8.096 1.00 92.81 H
|
| 844 |
+
ATOM 844 HB3 ALA A 58 6.995 0.249 -8.097 1.00 92.81 H
|
| 845 |
+
ATOM 845 O ALA A 58 8.810 1.953 -10.873 1.00 92.81 O
|
| 846 |
+
ATOM 846 N GLN A 59 6.652 1.358 -10.903 1.00 90.51 N
|
| 847 |
+
ATOM 847 H GLN A 59 5.803 1.246 -10.367 1.00 90.51 H
|
| 848 |
+
ATOM 848 CA GLN A 59 6.624 1.074 -12.340 1.00 90.51 C
|
| 849 |
+
ATOM 849 HA GLN A 59 7.494 0.472 -12.601 1.00 90.51 H
|
| 850 |
+
ATOM 850 C GLN A 59 6.709 2.347 -13.187 1.00 90.51 C
|
| 851 |
+
ATOM 851 CB GLN A 59 5.368 0.277 -12.695 1.00 90.51 C
|
| 852 |
+
ATOM 852 HB2 GLN A 59 4.499 0.727 -12.214 1.00 90.51 H
|
| 853 |
+
ATOM 853 HB3 GLN A 59 5.226 0.309 -13.775 1.00 90.51 H
|
| 854 |
+
ATOM 854 O GLN A 59 7.425 2.346 -14.186 1.00 90.51 O
|
| 855 |
+
ATOM 855 CG GLN A 59 5.497 -1.190 -12.279 1.00 90.51 C
|
| 856 |
+
ATOM 856 HG2 GLN A 59 5.708 -1.268 -11.212 1.00 90.51 H
|
| 857 |
+
ATOM 857 HG3 GLN A 59 6.324 -1.647 -12.822 1.00 90.51 H
|
| 858 |
+
ATOM 858 CD GLN A 59 4.228 -1.960 -12.601 1.00 90.51 C
|
| 859 |
+
ATOM 859 NE2 GLN A 59 3.255 -1.952 -11.717 1.00 90.51 N
|
| 860 |
+
ATOM 860 HE21 GLN A 59 2.479 -2.582 -11.866 1.00 90.51 H
|
| 861 |
+
ATOM 861 HE22 GLN A 59 3.407 -1.509 -10.822 1.00 90.51 H
|
| 862 |
+
ATOM 862 OE1 GLN A 59 4.092 -2.558 -13.654 1.00 90.51 O
|
| 863 |
+
ATOM 863 N ALA A 60 6.053 3.432 -12.768 1.00 88.57 N
|
| 864 |
+
ATOM 864 H ALA A 60 5.461 3.367 -11.952 1.00 88.57 H
|
| 865 |
+
ATOM 865 CA ALA A 60 6.200 4.736 -13.406 1.00 88.57 C
|
| 866 |
+
ATOM 866 HA ALA A 60 5.930 4.650 -14.458 1.00 88.57 H
|
| 867 |
+
ATOM 867 C ALA A 60 7.660 5.212 -13.341 1.00 88.57 C
|
| 868 |
+
ATOM 868 CB ALA A 60 5.250 5.738 -12.746 1.00 88.57 C
|
| 869 |
+
ATOM 869 HB1 ALA A 60 5.303 6.672 -13.305 1.00 88.57 H
|
| 870 |
+
ATOM 870 HB2 ALA A 60 5.542 5.928 -11.713 1.00 88.57 H
|
| 871 |
+
ATOM 871 HB3 ALA A 60 4.221 5.380 -12.768 1.00 88.57 H
|
| 872 |
+
ATOM 872 O ALA A 60 8.269 5.451 -14.377 1.00 88.57 O
|
| 873 |
+
ATOM 873 N ALA A 61 8.266 5.188 -12.149 1.00 88.08 N
|
| 874 |
+
ATOM 874 H ALA A 61 7.706 4.996 -11.331 1.00 88.08 H
|
| 875 |
+
ATOM 875 CA ALA A 61 9.659 5.584 -11.956 1.00 88.08 C
|
| 876 |
+
ATOM 876 HA ALA A 61 9.774 6.611 -12.303 1.00 88.08 H
|
| 877 |
+
ATOM 877 C ALA A 61 10.648 4.713 -12.750 1.00 88.08 C
|
| 878 |
+
ATOM 878 CB ALA A 61 9.966 5.530 -10.455 1.00 88.08 C
|
| 879 |
+
ATOM 879 HB1 ALA A 61 10.989 5.865 -10.280 1.00 88.08 H
|
| 880 |
+
ATOM 880 HB2 ALA A 61 9.849 4.513 -10.083 1.00 88.08 H
|
| 881 |
+
ATOM 881 HB3 ALA A 61 9.284 6.189 -9.918 1.00 88.08 H
|
| 882 |
+
ATOM 882 O ALA A 61 11.629 5.226 -13.285 1.00 88.08 O
|
| 883 |
+
ATOM 883 N LYS A 62 10.400 3.398 -12.860 1.00 87.01 N
|
| 884 |
+
ATOM 884 H LYS A 62 9.606 3.026 -12.359 1.00 87.01 H
|
| 885 |
+
ATOM 885 CA LYS A 62 11.184 2.508 -13.734 1.00 87.01 C
|
| 886 |
+
ATOM 886 HA LYS A 62 12.242 2.592 -13.485 1.00 87.01 H
|
| 887 |
+
ATOM 887 C LYS A 62 11.064 2.927 -15.192 1.00 87.01 C
|
| 888 |
+
ATOM 888 CB LYS A 62 10.734 1.051 -13.588 1.00 87.01 C
|
| 889 |
+
ATOM 889 HB2 LYS A 62 9.645 1.010 -13.590 1.00 87.01 H
|
| 890 |
+
ATOM 890 HB3 LYS A 62 11.094 0.483 -14.446 1.00 87.01 H
|
| 891 |
+
ATOM 891 O LYS A 62 12.081 3.018 -15.866 1.00 87.01 O
|
| 892 |
+
ATOM 892 CG LYS A 62 11.289 0.397 -12.319 1.00 87.01 C
|
| 893 |
+
ATOM 893 HG2 LYS A 62 12.373 0.317 -12.399 1.00 87.01 H
|
| 894 |
+
ATOM 894 HG3 LYS A 62 11.053 1.004 -11.445 1.00 87.01 H
|
| 895 |
+
ATOM 895 CD LYS A 62 10.683 -1.001 -12.160 1.00 87.01 C
|
| 896 |
+
ATOM 896 HD2 LYS A 62 10.976 -1.616 -13.010 1.00 87.01 H
|
| 897 |
+
ATOM 897 HD3 LYS A 62 9.597 -0.914 -12.135 1.00 87.01 H
|
| 898 |
+
ATOM 898 CE LYS A 62 11.170 -1.635 -10.857 1.00 87.01 C
|
| 899 |
+
ATOM 899 HE2 LYS A 62 10.881 -0.982 -10.034 1.00 87.01 H
|
| 900 |
+
ATOM 900 HE3 LYS A 62 12.259 -1.686 -10.879 1.00 87.01 H
|
| 901 |
+
ATOM 901 NZ LYS A 62 10.588 -2.986 -10.670 1.00 87.01 N
|
| 902 |
+
ATOM 902 HZ1 LYS A 62 9.580 -2.924 -10.637 1.00 87.01 H
|
| 903 |
+
ATOM 903 HZ2 LYS A 62 10.846 -3.592 -11.436 1.00 87.01 H
|
| 904 |
+
ATOM 904 HZ3 LYS A 62 10.906 -3.393 -9.802 1.00 87.01 H
|
| 905 |
+
ATOM 905 N HIS A 63 9.851 3.216 -15.652 1.00 84.38 N
|
| 906 |
+
ATOM 906 H HIS A 63 9.060 3.157 -15.026 1.00 84.38 H
|
| 907 |
+
ATOM 907 CA HIS A 63 9.620 3.669 -17.014 1.00 84.38 C
|
| 908 |
+
ATOM 908 HA HIS A 63 10.032 2.924 -17.695 1.00 84.38 H
|
| 909 |
+
ATOM 909 C HIS A 63 10.332 4.999 -17.291 1.00 84.38 C
|
| 910 |
+
ATOM 910 CB HIS A 63 8.112 3.780 -17.249 1.00 84.38 C
|
| 911 |
+
ATOM 911 HB2 HIS A 63 7.704 4.624 -16.692 1.00 84.38 H
|
| 912 |
+
ATOM 912 HB3 HIS A 63 7.624 2.871 -16.900 1.00 84.38 H
|
| 913 |
+
ATOM 913 O HIS A 63 11.036 5.123 -18.290 1.00 84.38 O
|
| 914 |
+
ATOM 914 CG HIS A 63 7.796 3.951 -18.701 1.00 84.38 C
|
| 915 |
+
ATOM 915 CD2 HIS A 63 7.410 5.100 -19.332 1.00 84.38 C
|
| 916 |
+
ATOM 916 HD2 HIS A 63 7.272 6.064 -18.865 1.00 84.38 H
|
| 917 |
+
ATOM 917 ND1 HIS A 63 7.947 2.975 -19.652 1.00 84.38 N
|
| 918 |
+
ATOM 918 HD1 HIS A 63 8.432 2.101 -19.504 1.00 84.38 H
|
| 919 |
+
ATOM 919 CE1 HIS A 63 7.630 3.517 -20.834 1.00 84.38 C
|
| 920 |
+
ATOM 920 HE1 HIS A 63 7.734 3.013 -21.783 1.00 84.38 H
|
| 921 |
+
ATOM 921 NE2 HIS A 63 7.267 4.801 -20.690 1.00 84.38 N
|
| 922 |
+
ATOM 922 N ASP A 64 10.237 5.965 -16.378 1.00 80.61 N
|
| 923 |
+
ATOM 923 H ASP A 64 9.605 5.850 -15.599 1.00 80.61 H
|
| 924 |
+
ATOM 924 CA ASP A 64 10.973 7.223 -16.489 1.00 80.61 C
|
| 925 |
+
ATOM 925 HA ASP A 64 10.704 7.711 -17.426 1.00 80.61 H
|
| 926 |
+
ATOM 926 C ASP A 64 12.484 6.975 -16.514 1.00 80.61 C
|
| 927 |
+
ATOM 927 CB ASP A 64 10.604 8.165 -15.339 1.00 80.61 C
|
| 928 |
+
ATOM 928 HB2 ASP A 64 11.252 9.041 -15.382 1.00 80.61 H
|
| 929 |
+
ATOM 929 HB3 ASP A 64 10.782 7.663 -14.388 1.00 80.61 H
|
| 930 |
+
ATOM 930 O ASP A 64 13.176 7.518 -17.369 1.00 80.61 O
|
| 931 |
+
ATOM 931 CG ASP A 64 9.154 8.642 -15.416 1.00 80.61 C
|
| 932 |
+
ATOM 932 OD1 ASP A 64 8.710 8.982 -16.538 1.00 80.61 O
|
| 933 |
+
ATOM 933 OD2 ASP A 64 8.519 8.667 -14.341 1.00 80.61 O
|
| 934 |
+
ATOM 934 N ALA A 65 13.008 6.097 -15.654 1.00 82.03 N
|
| 935 |
+
ATOM 935 H ALA A 65 12.399 5.683 -14.962 1.00 82.03 H
|
| 936 |
+
ATOM 936 CA ALA A 65 14.426 5.743 -15.639 1.00 82.03 C
|
| 937 |
+
ATOM 937 HA ALA A 65 15.002 6.662 -15.537 1.00 82.03 H
|
| 938 |
+
ATOM 938 C ALA A 65 14.888 5.060 -16.940 1.00 82.03 C
|
| 939 |
+
ATOM 939 CB ALA A 65 14.709 4.866 -14.415 1.00 82.03 C
|
| 940 |
+
ATOM 940 HB1 ALA A 65 14.409 5.392 -13.509 1.00 82.03 H
|
| 941 |
+
ATOM 941 HB2 ALA A 65 15.775 4.646 -14.364 1.00 82.03 H
|
| 942 |
+
ATOM 942 HB3 ALA A 65 14.153 3.931 -14.488 1.00 82.03 H
|
| 943 |
+
ATOM 943 O ALA A 65 15.971 5.368 -17.430 1.00 82.03 O
|
| 944 |
+
ATOM 944 N GLU A 66 14.079 4.180 -17.537 1.00 78.71 N
|
| 945 |
+
ATOM 945 H GLU A 66 13.216 3.934 -17.073 1.00 78.71 H
|
| 946 |
+
ATOM 946 CA GLU A 66 14.361 3.567 -18.844 1.00 78.71 C
|
| 947 |
+
ATOM 947 HA GLU A 66 15.339 3.086 -18.818 1.00 78.71 H
|
| 948 |
+
ATOM 948 C GLU A 66 14.398 4.611 -19.970 1.00 78.71 C
|
| 949 |
+
ATOM 949 CB GLU A 66 13.295 2.507 -19.173 1.00 78.71 C
|
| 950 |
+
ATOM 950 HB2 GLU A 66 13.394 2.232 -20.223 1.00 78.71 H
|
| 951 |
+
ATOM 951 HB3 GLU A 66 12.302 2.934 -19.032 1.00 78.71 H
|
| 952 |
+
ATOM 952 O GLU A 66 15.189 4.500 -20.907 1.00 78.71 O
|
| 953 |
+
ATOM 953 CG GLU A 66 13.430 1.225 -18.340 1.00 78.71 C
|
| 954 |
+
ATOM 954 HG2 GLU A 66 14.418 0.803 -18.520 1.00 78.71 H
|
| 955 |
+
ATOM 955 HG3 GLU A 66 13.366 1.446 -17.275 1.00 78.71 H
|
| 956 |
+
ATOM 956 CD GLU A 66 12.351 0.200 -18.722 1.00 78.71 C
|
| 957 |
+
ATOM 957 OE1 GLU A 66 12.737 -0.868 -19.252 1.00 78.71 O
|
| 958 |
+
ATOM 958 OE2 GLU A 66 11.145 0.475 -18.505 1.00 78.71 O
|
| 959 |
+
ATOM 959 N HIS A 67 13.569 5.649 -19.863 1.00 69.89 N
|
| 960 |
+
ATOM 960 H HIS A 67 12.923 5.657 -19.087 1.00 69.89 H
|
| 961 |
+
ATOM 961 CA HIS A 67 13.516 6.758 -20.810 1.00 69.89 C
|
| 962 |
+
ATOM 962 HA HIS A 67 13.695 6.368 -21.812 1.00 69.89 H
|
| 963 |
+
ATOM 963 C HIS A 67 14.598 7.825 -20.573 1.00 69.89 C
|
| 964 |
+
ATOM 964 CB HIS A 67 12.097 7.339 -20.772 1.00 69.89 C
|
| 965 |
+
ATOM 965 HB2 HIS A 67 12.125 8.371 -21.122 1.00 69.89 H
|
| 966 |
+
ATOM 966 HB3 HIS A 67 11.711 7.347 -19.753 1.00 69.89 H
|
| 967 |
+
ATOM 967 O HIS A 67 15.014 8.491 -21.524 1.00 69.89 O
|
| 968 |
+
ATOM 968 CG HIS A 67 11.172 6.564 -21.672 1.00 69.89 C
|
| 969 |
+
ATOM 969 CD2 HIS A 67 10.513 5.389 -21.418 1.00 69.89 C
|
| 970 |
+
ATOM 970 HD2 HIS A 67 10.505 4.834 -20.492 1.00 69.89 H
|
| 971 |
+
ATOM 971 ND1 HIS A 67 10.982 6.857 -22.996 1.00 69.89 N
|
| 972 |
+
ATOM 972 HD1 HIS A 67 11.388 7.651 -23.470 1.00 69.89 H
|
| 973 |
+
ATOM 973 CE1 HIS A 67 10.243 5.882 -23.534 1.00 69.89 C
|
| 974 |
+
ATOM 974 HE1 HIS A 67 9.989 5.821 -24.582 1.00 69.89 H
|
| 975 |
+
ATOM 975 NE2 HIS A 67 9.929 4.961 -22.619 1.00 69.89 N
|
| 976 |
+
ATOM 976 N HIS A 68 15.072 7.963 -19.334 1.00 60.56 N
|
| 977 |
+
ATOM 977 H HIS A 68 14.591 7.456 -18.606 1.00 60.56 H
|
| 978 |
+
ATOM 978 CA HIS A 68 16.133 8.880 -18.918 1.00 60.56 C
|
| 979 |
+
ATOM 979 HA HIS A 68 16.196 9.690 -19.645 1.00 60.56 H
|
| 980 |
+
ATOM 980 C HIS A 68 17.523 8.244 -18.886 1.00 60.56 C
|
| 981 |
+
ATOM 981 CB HIS A 68 15.780 9.500 -17.559 1.00 60.56 C
|
| 982 |
+
ATOM 982 HB2 HIS A 68 16.688 9.860 -17.076 1.00 60.56 H
|
| 983 |
+
ATOM 983 HB3 HIS A 68 15.344 8.751 -16.897 1.00 60.56 H
|
| 984 |
+
ATOM 984 O HIS A 68 18.501 8.966 -18.679 1.00 60.56 O
|
| 985 |
+
ATOM 985 CG HIS A 68 14.858 10.679 -17.698 1.00 60.56 C
|
| 986 |
+
ATOM 986 CD2 HIS A 68 13.490 10.698 -17.620 1.00 60.56 C
|
| 987 |
+
ATOM 987 HD2 HIS A 68 12.838 9.859 -17.426 1.00 60.56 H
|
| 988 |
+
ATOM 988 ND1 HIS A 68 15.267 11.966 -17.958 1.00 60.56 N
|
| 989 |
+
ATOM 989 HD1 HIS A 68 16.225 12.270 -18.055 1.00 60.56 H
|
| 990 |
+
ATOM 990 CE1 HIS A 68 14.176 12.743 -18.031 1.00 60.56 C
|
| 991 |
+
ATOM 991 HE1 HIS A 68 14.178 13.807 -18.213 1.00 60.56 H
|
| 992 |
+
ATOM 992 NE2 HIS A 68 13.070 12.014 -17.841 1.00 60.56 N
|
| 993 |
+
ATOM 993 N ALA A 69 17.641 6.932 -19.110 1.00 56.71 N
|
| 994 |
+
ATOM 994 H ALA A 69 16.806 6.366 -19.161 1.00 56.71 H
|
| 995 |
+
ATOM 995 CA ALA A 69 18.931 6.279 -19.248 1.00 56.71 C
|
| 996 |
+
ATOM 996 HA ALA A 69 19.445 6.364 -18.290 1.00 56.71 H
|
| 997 |
+
ATOM 997 C ALA A 69 19.720 6.998 -20.357 1.00 56.71 C
|
| 998 |
+
ATOM 998 CB ALA A 69 18.732 4.788 -19.544 1.00 56.71 C
|
| 999 |
+
ATOM 999 HB1 ALA A 69 18.163 4.665 -20.465 1.00 56.71 H
|
| 1000 |
+
ATOM 1000 HB2 ALA A 69 18.184 4.321 -18.725 1.00 56.71 H
|
| 1001 |
+
ATOM 1001 HB3 ALA A 69 19.701 4.301 -19.651 1.00 56.71 H
|
| 1002 |
+
ATOM 1002 O ALA A 69 19.275 7.018 -21.513 1.00 56.71 O
|
| 1003 |
+
ATOM 1003 N PRO A 70 20.866 7.631 -20.039 1.00 53.00 N
|
| 1004 |
+
ATOM 1004 CA PRO A 70 21.679 8.253 -21.065 1.00 53.00 C
|
| 1005 |
+
ATOM 1005 HA PRO A 70 21.105 9.019 -21.587 1.00 53.00 H
|
| 1006 |
+
ATOM 1006 C PRO A 70 22.087 7.153 -22.041 1.00 53.00 C
|
| 1007 |
+
ATOM 1007 CB PRO A 70 22.859 8.903 -20.333 1.00 53.00 C
|
| 1008 |
+
ATOM 1008 HB2 PRO A 70 22.612 9.939 -20.105 1.00 53.00 H
|
| 1009 |
+
ATOM 1009 HB3 PRO A 70 23.781 8.852 -20.914 1.00 53.00 H
|
| 1010 |
+
ATOM 1010 O PRO A 70 22.701 6.160 -21.647 1.00 53.00 O
|
| 1011 |
+
ATOM 1011 CG PRO A 70 22.965 8.111 -19.030 1.00 53.00 C
|
| 1012 |
+
ATOM 1012 HG2 PRO A 70 23.572 7.220 -19.192 1.00 53.00 H
|
| 1013 |
+
ATOM 1013 HG3 PRO A 70 23.381 8.714 -18.222 1.00 53.00 H
|
| 1014 |
+
ATOM 1014 CD PRO A 70 21.524 7.699 -18.742 1.00 53.00 C
|
| 1015 |
+
ATOM 1015 HD2 PRO A 70 21.037 8.454 -18.126 1.00 53.00 H
|
| 1016 |
+
ATOM 1016 HD3 PRO A 70 21.520 6.734 -18.236 1.00 53.00 H
|
| 1017 |
+
ATOM 1017 N LYS A 71 21.716 7.306 -23.319 1.00 52.02 N
|
| 1018 |
+
ATOM 1018 H LYS A 71 21.139 8.099 -23.557 1.00 52.02 H
|
| 1019 |
+
ATOM 1019 CA LYS A 71 22.263 6.449 -24.373 1.00 52.02 C
|
| 1020 |
+
ATOM 1020 HA LYS A 71 21.934 5.426 -24.192 1.00 52.02 H
|
| 1021 |
+
ATOM 1021 C LYS A 71 23.788 6.532 -24.264 1.00 52.02 C
|
| 1022 |
+
ATOM 1022 CB LYS A 71 21.822 6.905 -25.769 1.00 52.02 C
|
| 1023 |
+
ATOM 1023 HB2 LYS A 71 22.440 6.400 -26.512 1.00 52.02 H
|
| 1024 |
+
ATOM 1024 HB3 LYS A 71 21.986 7.978 -25.865 1.00 52.02 H
|
| 1025 |
+
ATOM 1025 O LYS A 71 24.298 7.660 -24.280 1.00 52.02 O
|
| 1026 |
+
ATOM 1026 CG LYS A 71 20.355 6.570 -26.050 1.00 52.02 C
|
| 1027 |
+
ATOM 1027 HG2 LYS A 71 20.219 5.489 -26.030 1.00 52.02 H
|
| 1028 |
+
ATOM 1028 HG3 LYS A 71 19.725 7.023 -25.285 1.00 52.02 H
|
| 1029 |
+
ATOM 1029 CD LYS A 71 19.953 7.115 -27.424 1.00 52.02 C
|
| 1030 |
+
ATOM 1030 HD2 LYS A 71 20.570 6.661 -28.199 1.00 52.02 H
|
| 1031 |
+
ATOM 1031 HD3 LYS A 71 20.117 8.192 -27.423 1.00 52.02 H
|
| 1032 |
+
ATOM 1032 CE LYS A 71 18.477 6.813 -27.682 1.00 52.02 C
|
| 1033 |
+
ATOM 1033 HE2 LYS A 71 17.930 6.954 -26.750 1.00 52.02 H
|
| 1034 |
+
ATOM 1034 HE3 LYS A 71 18.376 5.766 -27.970 1.00 52.02 H
|
| 1035 |
+
ATOM 1035 NZ LYS A 71 17.927 7.712 -28.724 1.00 52.02 N
|
| 1036 |
+
ATOM 1036 HZ1 LYS A 71 18.443 7.606 -29.585 1.00 52.02 H
|
| 1037 |
+
ATOM 1037 HZ2 LYS A 71 16.952 7.504 -28.889 1.00 52.02 H
|
| 1038 |
+
ATOM 1038 HZ3 LYS A 71 18.004 8.672 -28.420 1.00 52.02 H
|
| 1039 |
+
ATOM 1039 N PRO A 72 24.507 5.404 -24.147 1.00 50.74 N
|
| 1040 |
+
ATOM 1040 CA PRO A 72 25.955 5.447 -24.235 1.00 50.74 C
|
| 1041 |
+
ATOM 1041 HA PRO A 72 26.365 6.096 -23.461 1.00 50.74 H
|
| 1042 |
+
ATOM 1042 C PRO A 72 26.306 6.011 -25.619 1.00 50.74 C
|
| 1043 |
+
ATOM 1043 CB PRO A 72 26.426 4.009 -23.998 1.00 50.74 C
|
| 1044 |
+
ATOM 1044 HB2 PRO A 72 26.613 3.863 -22.934 1.00 50.74 H
|
| 1045 |
+
ATOM 1045 HB3 PRO A 72 27.320 3.773 -24.575 1.00 50.74 H
|
| 1046 |
+
ATOM 1046 O PRO A 72 25.859 5.470 -26.633 1.00 50.74 O
|
| 1047 |
+
ATOM 1047 CG PRO A 72 25.233 3.151 -24.424 1.00 50.74 C
|
| 1048 |
+
ATOM 1048 HG2 PRO A 72 25.198 2.208 -23.878 1.00 50.74 H
|
| 1049 |
+
ATOM 1049 HG3 PRO A 72 25.284 2.967 -25.497 1.00 50.74 H
|
| 1050 |
+
ATOM 1050 CD PRO A 72 24.022 4.030 -24.116 1.00 50.74 C
|
| 1051 |
+
ATOM 1051 HD2 PRO A 72 23.645 3.806 -23.119 1.00 50.74 H
|
| 1052 |
+
ATOM 1052 HD3 PRO A 72 23.249 3.858 -24.864 1.00 50.74 H
|
| 1053 |
+
ATOM 1053 N HIS A 73 27.006 7.146 -25.634 1.00 43.90 N
|
| 1054 |
+
ATOM 1054 H HIS A 73 27.371 7.469 -24.750 1.00 43.90 H
|
| 1055 |
+
ATOM 1055 CA HIS A 73 27.753 7.625 -26.796 1.00 43.90 C
|
| 1056 |
+
ATOM 1056 HA HIS A 73 27.333 7.215 -27.715 1.00 43.90 H
|
| 1057 |
+
ATOM 1057 C HIS A 73 29.178 7.094 -26.693 1.00 43.90 C
|
| 1058 |
+
ATOM 1058 CB HIS A 73 27.750 9.159 -26.884 1.00 43.90 C
|
| 1059 |
+
ATOM 1059 HB2 HIS A 73 28.031 9.575 -25.917 1.00 43.90 H
|
| 1060 |
+
ATOM 1060 HB3 HIS A 73 28.515 9.457 -27.601 1.00 43.90 H
|
| 1061 |
+
ATOM 1061 O HIS A 73 29.686 7.040 -25.548 1.00 43.90 O
|
| 1062 |
+
ATOM 1062 CG HIS A 73 26.442 9.756 -27.326 1.00 43.90 C
|
| 1063 |
+
ATOM 1063 CD2 HIS A 73 26.136 10.245 -28.569 1.00 43.90 C
|
| 1064 |
+
ATOM 1064 HD2 HIS A 73 26.801 10.253 -29.420 1.00 43.90 H
|
| 1065 |
+
ATOM 1065 ND1 HIS A 73 25.335 9.936 -26.536 1.00 43.90 N
|
| 1066 |
+
ATOM 1066 HD1 HIS A 73 25.227 9.553 -25.607 1.00 43.90 H
|
| 1067 |
+
ATOM 1067 CE1 HIS A 73 24.393 10.542 -27.275 1.00 43.90 C
|
| 1068 |
+
ATOM 1068 HE1 HIS A 73 23.405 10.798 -26.922 1.00 43.90 H
|
| 1069 |
+
ATOM 1069 NE2 HIS A 73 24.826 10.745 -28.530 1.00 43.90 N
|
| 1070 |
+
ATOM 1070 OXT HIS A 73 29.709 6.760 -27.770 1.00 43.90 O
|
| 1071 |
+
TER 1071 HIS A 73
|
| 1072 |
+
END
|