DAQ-refine is a tool that assesses protein models derived from cryo-EM maps (target resolution: 0-5
A) using the DAQ score and refine the identified regions with errors with modified AlphaFold2.
The output includes a .pdb file documenting the initially scored structure (by DAQ-Score) alongside
the refined structure generated by DAQ-Refine.
Our result webpage comprises three tabs: Results Visualization, Output Logs, and Job Configuration.
Results Visualization:
The 'Result Visualization' panel displays both the protein structure before and after refinement by
DAQ-Refine.
The B-factor column stores the DAQ(AA) score for each structure.
On the right-hand side, you can click the 'Download Outputs' button to acquire the modeled structure
in .pdb format.
The downloaded file includes the original input structure as the 1st model and the refined structure
by DAQ-Refine as the 2nd model.
Additionally, you can visualize the map online by clicking the "Show map" button.
Once loaded, the default contour level matches your input; however, you can make adjustments by
clicking the "..." button beside "isosurface."
Within the "Type: Isosurface" option, you can modify the iso-surface value and opacity by scrolling
through the bar for precise adjustments.
This feature allows you to assess the alignment between the modeled structure and the map.
The 3D models displayed in the panel are color-coded based on the DAQ(AA) score, ranging from red
(-1.0) to blue (1.0), employing a 19-residue sliding window.
Blue represents a good score, while red signifies a lower score from DAQ.
In MODEL1, the original model depicts all modeled positions colored according to the DAQ(AA)
score.
In MODEL2, the DAQ-Refine refined model portrays all modeled positions color-coded based on the
DAQ(AA) score.
Output Logs:
The 'Output Logs' panel compiles all outputs generated by the scripts.
If you're interested in monitoring the job's progress during execution, this section provides a
comprehensive overview.
Job Configuration:
In the 'Job Configuration' panel, you'll find the input parameters used for this specific job.
These records serve to maintain a log of your submitted input for reference.
For any troubleshooting needs: Should you encounter any issues, please don't hesitate to contact
us via
email to report the problems.
When sending an email, kindly use the subject line format 'DAQ-Refine problem: [jobid]', where
[jobid]
corresponds to the job displayed in the title.
This specific identification helps us efficiently locate and debug jobs in the backend, ensuring
a prompt response to your concerns.
Contact:
dkihara@purdue.edu, gterashi@purdue.edu, xiaowang20140001@gmail.com.
daq-refine
Job ID : 5a4e3034f8981212b955983c7f8c5177
DAQ-refine is a protocol using DAQ score to evaluate protein models from cryo-EM maps and employs a modified AlphaFold 2 for refining regions with potential errors.
The 3D model is colored by DAQ(AA) score scaled from red (-1.0) to blue (1.0) with a 19 residues sliding window. Here blue indicates good score, while red indicates bad score from DAQ.
In MODEL1, it shows the original model, all modeled positions are colored by DAQ(AA) score.
In MODEL2, it shows the DAQ refined model, all modeled positions are colored by DAQ(AA) score.
If you encounter any questions for the scored structure, feel free to email dkihara@purdue.edu, gterashi@purdue.edu and wang3702@purdue.edu.
INFO : DAQ-refine started
INFO : STEP-0 DAQ started
INFO: start DAQ-refine for chain B
chain_B existed
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resizing finished!
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Finished processing model input!
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prediction.txt, please have a check!
exe_path
daq_raw_score.pdb
total different chains: {'B'}
-1.34
1.07
0.32
-0.17
-2.23
0.6
0.55
-0.27
0.88
0.68
2.07
2.09
2.36
1.17
0.79
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0.71
1.89
0.86
1.2
1.02
0.88
0.81
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0.82
0.77
0.35
-0.21
1.8
0.24
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1.73
0.84
0.74
0.22
-0.36
0.39
2.33
1.68
-0.4
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0.68
0.09
1.51
-0.99
0.8
0.87
0.95
0.55
2.05
2.19
1.26
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1.44
0.17
-0.43
0.7
0.04
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0.84
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0.26
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0.85
2.5
0.04
0.02
-0.65
0.14
0.31
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0.03
0.42
1.67
-0.12
1.7
1.6
0.16
0.02
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0.12
0.51
1.1
0.5
0.91
0.96
1.1
0.02
-0.68
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0.09
0.72
0.07
-1.06
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0.29
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0.35
0.23
0.4
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1.2
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0.55
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0.01
-0.19
0.14
0.29
1.86
0.52
0.5
1.84
0.47
0.83
0.38
-0.86
1.45
1.75
1.04
1.16
1.6
1.13
1.02
0.07
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1.19
0.05
1.42
-0.22
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-0.27
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0.29
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1.58
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2.01
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1.0
1.17
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0.21
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0.75
0.47
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0.2
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0.78
0.18
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1.5
-0.24
0.18
0.82
-0.22
0.94
0.32
-0.04
0.38
-1.53
-1.29
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[['B', ' N ', 231.2, 286.597, 253.521], ['B', ' CA ', 231.016, 288.0, 253.867], ['B', ' C ', 231.822, 288.858, 252.904], ['B', ' O ', 233.047, 288.735, 252.833], ['B', ' CB ', 231.435, 288.248, 255.315], ['B', ' CG ', 231.237, 289.662, 255.789], ['B', ' CD1', 232.173, 290.639, 255.52], ['B', ' CD2', 230.137, 289.999, 256.548], ['B', ' CE1', 232.0, 291.918, 255.972], ['B', ' CE2', 229.967, 291.281, 257.001], ['B', ' CZ ', 230.899, 292.24, 256.712]]
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[['B', ' N ', 233.469, 299.0, 250.5], ['B', ' CA ', 233.802, 299.775, 251.684], ['B', ' C ', 234.466, 301.103, 251.348], ['B', ' O ', 235.311, 301.188, 250.451], ['B', ' CB ', 234.673, 298.92, 252.623], ['B', ' CG ', 235.868, 298.214, 251.974], ['B', ' CD ', 237.153, 299.016, 251.99], ['B', ' OE1', 237.261, 299.965, 252.784], ['B', ' OE2', 238.077, 298.671, 251.227]]
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[['B', ' N ', 235.37, 301.246, 257.508], ['B', ' CA ', 234.551, 301.149, 258.706], ['B', ' C ', 234.225, 299.701, 259.04], ['B', ' O ', 233.946, 299.396, 260.21], ['B', ' CB ', 233.262, 301.985, 258.56], ['B', ' CG1', 233.62, 303.467, 258.437], ['B', ' CG2', 232.314, 301.779, 259.733], ['B', ' CD1', 234.55, 303.965, 259.525]]
[['B', ' N ', 234.315, 298.793, 258.075], ['B', ' CA ', 234.234, 297.37, 258.365], ['B', ' C ', 235.535, 296.979, 259.049], ['B', ' O ', 236.554, 296.753, 258.388], ['B', ' CB ', 233.996, 296.54, 257.091], ['B', ' CG1', 232.625, 296.857, 256.487], ['B', ' CG2', 234.116, 295.054, 257.395], ['B', ' CD1', 232.631, 297.997, 255.501]]
[['B', ' N ', 235.514, 296.905, 260.382], ['B', ' CA ', 236.754, 296.766, 261.13], ['B', ' C ', 236.639, 295.759, 262.264], ['B', ' O ', 237.379, 295.854, 263.246], ['B', ' CB ', 237.198, 298.103, 261.727], ['B', ' CG ', 237.473, 299.222, 260.739], ['B', ' CD ', 237.947, 300.458, 261.493], ['B', ' NE ', 238.012, 301.652, 260.657], ['B', ' CZ ', 238.302, 302.864, 261.121], ['B', ' NH1', 238.554, 303.037, 262.409], ['B', ' NH2', 238.34, 303.901, 260.298]]
[['B', ' N ', 235.735, 294.795, 262.171], ['B', ' CA ', 235.553, 293.894, 263.289], ['B', ' C ', 234.747, 292.671, 262.919], ['B', ' O ', 234.024, 292.648, 261.919]]
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[['B', ' N ', 232.881, 288.985, 265.073], ['B', ' CA ', 232.477, 288.339, 266.314], ['B', ' C ', 231.914, 286.976, 265.949], ['B', ' O ', 231.279, 286.822, 264.905], ['B', ' CB ', 231.435, 289.19, 267.075], ['B', ' CG1', 232.054, 290.489, 267.594], ['B', ' CG2', 230.815, 288.409, 268.227], ['B', ' CD1', 233.079, 290.292, 268.676]]
[['B', ' N ', 232.164, 285.976, 266.788], ['B', ' CA ', 231.634, 284.639, 266.556], ['B', ' C ', 231.2, 284.067, 267.897], ['B', ' O ', 231.107, 284.785, 268.895], ['B', ' CB ', 232.669, 283.753, 265.848], ['B', ' CG ', 233.035, 284.23, 264.474], ['B', ' CD1', 233.973, 285.231, 264.299], ['B', ' CD2', 232.439, 283.684, 263.358], ['B', ' CE1', 234.305, 285.681, 263.041], ['B', ' CE2', 232.769, 284.132, 262.096], ['B', ' CZ ', 233.706, 285.133, 261.942]]
[['B', ' N ', 230.923, 282.77, 267.917], ['B', ' CA ', 230.603, 282.069, 269.143], ['B', ' C ', 229.163, 282.268, 269.584], ['B', ' O ', 228.512, 283.265, 269.28]]
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[['B', ' N ', 235.593, 273.546, 260.332], ['B', ' CA ', 235.426, 272.101, 260.254], ['B', ' C ', 236.584, 271.43, 260.975], ['B', ' O ', 237.715, 271.928, 260.949], ['B', ' CB ', 235.343, 271.608, 258.795], ['B', ' CG1', 236.623, 271.958, 258.039], ['B', ' CG2', 234.128, 272.191, 258.098], ['B', ' CD1', 236.93, 271.011, 256.895]]
[['B', ' N ', 236.289, 270.318, 261.65], ['B', ' CA ', 237.248, 269.415, 262.28], ['B', ' C ', 237.916, 270.095, 263.478], ['B', ' O ', 238.731, 269.476, 264.163], ['B', ' CB ', 238.303, 268.927, 261.268], ['B', ' CG ', 239.194, 267.801, 261.794], ['B', ' OD1', 239.057, 267.365, 262.954], ['B', ' OD2', 240.057, 267.343, 261.018]]
[['B', ' N ', 237.578, 271.345, 263.768], ['B', ' CA ', 238.212, 272.082, 264.843], ['B', ' C ', 239.176, 273.152, 264.384], ['B', ' O ', 239.829, 273.775, 265.232]]
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[['B', ' N ', 239.361, 276.749, 262.48], ['B', ' CA ', 238.607, 277.87, 261.939], ['B', ' C ', 239.402, 278.477, 260.792], ['B', ' O ', 240.504, 278.996, 261.004], ['B', ' CB ', 238.331, 278.909, 263.022], ['B', ' CG ', 237.788, 280.201, 262.497], ['B', ' CD1', 236.444, 280.337, 262.226], ['B', ' CD2', 238.622, 281.282, 262.283], ['B', ' CE1', 235.946, 281.52, 261.748], ['B', ' CE2', 238.128, 282.467, 261.803], ['B', ' CZ ', 236.789, 282.587, 261.536]]
[['B', ' N ', 238.85, 278.412, 259.583], ['B', ' CA ', 239.543, 278.891, 258.4], ['B', ' C ', 239.184, 280.345, 258.114], ['B', ' O ', 238.424, 280.983, 258.84], ['B', ' CB ', 239.218, 278.013, 257.196], ['B', ' CG ', 240.12, 276.815, 257.04], ['B', ' CD ', 239.729, 275.701, 257.972], ['B', ' CE ', 240.024, 274.362, 257.334], ['B', ' NZ ', 239.64, 273.23, 258.215]]
[['B', ' N ', 239.758, 280.876, 257.04], ['B', ' CA ', 239.469, 282.219, 256.563], ['B', ' C ', 240.077, 282.321, 255.171], ['B', ' O ', 241.05, 281.624, 254.867], ['B', ' CB ', 240.028, 283.284, 257.523], ['B', ' CG1', 239.383, 284.646, 257.281], ['B', ' CG2', 241.513, 283.407, 257.364], ['B', ' CD1', 239.637, 285.64, 258.399]]
[['B', ' N ', 239.503, 283.149, 254.302], ['B', ' CA ', 240.013, 283.296, 252.945], ['B', ' C ', 239.749, 284.718, 252.482], ['B', ' O ', 238.833, 285.373, 252.982], ['B', ' CB ', 239.36, 282.294, 251.989], ['B', ' CG ', 239.681, 280.843, 252.283], ['B', ' CD1', 240.805, 280.24, 251.751], ['B', ' CD2', 238.855, 280.077, 253.086], ['B', ' CE1', 241.097, 278.923, 252.015], ['B', ' CE2', 239.143, 278.759, 253.353], ['B', ' CZ ', 240.265, 278.19, 252.817], ['B', ' OH ', 240.557, 276.876, 253.075]]
[['B', ' N ', 240.549, 285.201, 251.53], ['B', ' CA ', 240.389, 286.598, 251.138], ['B', ' C ', 241.117, 286.907, 249.844], ['B', ' O ', 242.103, 286.256, 249.496], ['B', ' CB ', 240.904, 287.543, 252.222], ['B', ' OG ', 240.926, 288.876, 251.743]]
[['B', ' N ', 240.624, 287.938, 249.157], ['B', ' CA ', 241.302, 288.586, 248.042], ['B', ' C ', 240.586, 289.9, 247.76], ['B', ' O ', 239.356, 289.959, 247.798], ['B', ' CB ', 241.319, 287.72, 246.777], ['B', ' CG ', 242.08, 288.359, 245.622], ['B', ' CD ', 241.818, 287.653, 244.305], ['B', ' CE ', 242.5, 288.334, 243.124], ['B', ' NZ ', 243.96, 288.054, 243.046]]
[['B', ' N ', 241.357, 290.948, 247.489], ['B', ' CA ', 240.82, 292.251, 247.118], ['B', ' C ', 241.085, 292.456, 245.635], ['B', ' O ', 242.221, 292.285, 245.181], ['B', ' CB ', 241.462, 293.378, 247.926], ['B', ' CG ', 241.49, 293.14, 249.404], ['B', ' CD2', 242.016, 293.862, 250.421], ['B', ' ND1', 240.919, 292.027, 249.981], ['B', ' CE1', 241.086, 292.077, 251.29], ['B', ' NE2', 241.749, 293.18, 251.583]]
[['B', ' N ', 240.054, 292.826, 244.886], ['B', ' CA ', 240.162, 292.954, 243.434], ['B', ' C ', 239.4, 294.172, 242.934], ['B', ' O ', 238.183, 294.286, 243.189], ['B', ' CB ', 239.651, 291.691, 242.75], ['B', ' CG2', 239.902, 291.767, 241.261], ['B', ' OG1', 240.345, 290.557, 243.277]]
[['B', ' N ', 240.051, 295.088, 242.229], ['B', ' CA ', 239.355, 296.254, 241.669], ['B', ' C ', 238.713, 295.923, 240.331], ['B', ' O ', 239.401, 295.644, 239.344], ['B', ' CB ', 240.48, 297.292, 241.525], ['B', ' CG ', 241.784, 296.559, 241.813], ['B', ' CD ', 241.489, 295.103, 241.929]]
[['B', ' N ', 237.381, 295.97, 240.29], ['B', ' CA ', 236.591, 295.652, 239.108], ['B', ' C ', 235.666, 296.84, 238.837], ['B', ' O ', 235.754, 297.873, 239.498], ['B', ' CB ', 235.808, 294.327, 239.275], ['B', ' CG1', 236.747, 293.212, 239.721], ['B', ' CG2', 235.24, 293.819, 237.953], ['B', ' CD1', 237.773, 292.838, 238.667]]
[['B', ' N ', 234.792, 296.695, 237.838], ['B', ' CA ', 233.872, 297.743, 237.413], ['B', ' C ', 233.072, 298.3, 238.584], ['B', ' O ', 232.947, 297.654, 239.63], ['B', ' CB ', 232.926, 297.215, 236.331], ['B', ' CG ', 232.296, 298.327, 235.512], ['B', ' ND2', 231.468, 297.951, 234.544], ['B', ' OD1', 232.549, 299.508, 235.747]]
[['B', ' N ', 232.517, 299.496, 238.411], ['B', ' CA ', 232.059, 300.285, 239.544], ['B', ' C ', 230.563, 300.555, 239.482], ['B', ' O ', 230.136, 301.693, 239.702], ['B', ' CB ', 232.813, 301.617, 239.587], ['B', ' CG ', 234.272, 301.65, 240.046], ['B', ' CD1', 235.192, 301.049, 238.993], ['B', ' CD2', 234.685, 303.078, 240.358]]
[['B', ' N ', 229.748, 299.544, 239.183], ['B', ' CA ', 228.337, 299.845, 238.983], ['B', ' C ', 227.64, 299.993, 240.329], ['B', ' O ', 227.352, 301.115, 240.758], ['B', ' CB ', 227.66, 298.757, 238.132], ['B', ' CG1', 226.203, 299.109, 237.882], ['B', ' CG2', 228.407, 298.572, 236.821]]
[['B', ' N ', 227.369, 298.88, 241.015], ['B', ' CA ', 226.998, 298.967, 242.423], ['B', ' C ', 227.559, 297.828, 243.269], ['B', ' O ', 228.028, 298.048, 244.389], ['B', ' CB ', 225.475, 299.03, 242.563], ['B', ' CG ', 224.992, 299.274, 243.987], ['B', ' CD ', 225.398, 300.646, 244.502], ['B', ' NE ', 225.02, 301.723, 243.592], ['B', ' CZ ', 225.888, 302.476, 242.925], ['B', ' NH1', 227.191, 302.27, 243.061], ['B', ' NH2', 225.456, 303.435, 242.118]]
[['B', ' N ', 227.533, 296.612, 242.729], ['B', ' CA ', 227.585, 295.385, 243.512], ['B', ' C ', 228.695, 294.462, 243.028], ['B', ' O ', 229.578, 294.856, 242.259], ['B', ' CB ', 226.236, 294.663, 243.461], ['B', ' CG ', 225.074, 295.566, 243.79], ['B', ' OD1', 225.141, 296.271, 244.815], ['B', ' OD2', 224.091, 295.572, 243.023]]
[['B', ' N ', 228.65, 293.223, 243.508], ['B', ' CA ', 229.55, 292.152, 243.112], ['B', ' C ', 229.499, 291.987, 241.601], ['B', ' O ', 228.515, 291.466, 241.067], ['B', ' CB ', 229.146, 290.852, 243.803], ['B', ' CG ', 228.908, 290.935, 245.315], ['B', ' CD1', 228.222, 289.68, 245.839], ['B', ' CD2', 230.218, 291.18, 246.052]]
[['B', ' N ', 230.531, 292.408, 240.882], ['B', ' CA ', 230.46, 292.389, 239.421], ['B', ' C ', 230.524, 290.972, 238.884], ['B', ' O ', 231.063, 290.063, 239.52], ['B', ' CB ', 231.682, 293.209, 238.986], ['B', ' CG ', 232.455, 293.521, 240.245], ['B', ' CD ', 231.878, 292.729, 241.367]]
[['B', ' N ', 229.959, 290.791, 237.692], ['B', ' CA ', 229.868, 289.47, 237.074], ['B', ' C ', 231.185, 289.152, 236.364], ['B', ' O ', 231.284, 289.089, 235.137], ['B', ' CB ', 228.675, 289.408, 236.129], ['B', ' CG ', 228.237, 287.998, 235.773], ['B', ' CD ', 226.988, 287.972, 234.911], ['B', ' NE2', 226.601, 286.782, 234.466], ['B', ' OE1', 226.38, 289.01, 234.647]]
[['B', ' N ', 232.216, 288.962, 237.183], ['B', ' CA ', 233.529, 288.546, 236.747], ['B', ' C ', 233.953, 287.283, 237.476], ['B', ' O ', 233.126, 286.532, 238.0]]
[['B', ' N ', 235.264, 287.052, 237.503], ['B', ' CA ', 235.808, 285.902, 238.206], ['B', ' C ', 237.106, 286.275, 238.904], ['B', ' O ', 237.869, 287.117, 238.426], ['B', ' CB ', 236.056, 284.72, 237.27], ['B', ' CG ', 236.182, 283.418, 237.987], ['B', ' CD1', 235.068, 282.792, 238.513], ['B', ' CD2', 237.42, 282.841, 238.178], ['B', ' CE1', 235.185, 281.6, 239.191], ['B', ' CE2', 237.542, 281.648, 238.855], ['B', ' CZ ', 236.423, 281.029, 239.36]]
[['B', ' N ', 237.346, 285.626, 240.042], ['B', ' CA ', 238.562, 285.796, 240.823], ['B', ' C ', 238.577, 284.749, 241.923], ['B', ' O ', 237.534, 284.441, 242.503], ['B', ' CB ', 238.647, 287.197, 241.433], ['B', ' OG ', 237.982, 287.237, 242.682]]
[['B', ' N ', 239.759, 284.218, 242.21], ['B', ' CA ', 239.934, 283.164, 243.196], ['B', ' C ', 240.298, 283.749, 244.553], ['B', ' O ', 240.72, 284.898, 244.667], ['B', ' CB ', 241.014, 282.183, 242.743]]
[['B', ' N ', 240.13, 282.941, 245.59], ['B', ' CA ', 240.394, 283.367, 246.955], ['B', ' C ', 241.417, 282.45, 247.609], ['B', ' O ', 241.319, 281.224, 247.508], ['B', ' CB ', 239.107, 283.388, 247.775], ['B', ' CG ', 238.389, 284.732, 247.86], ['B', ' CD1', 237.947, 285.211, 246.501], ['B', ' CD2', 237.201, 284.609, 248.776]]
[['B', ' N ', 242.387, 283.055, 248.305], ['B', ' CA ', 243.536, 282.414, 248.914], ['B', ' C ', 243.441, 282.442, 250.433], ['B', ' O ', 242.92, 283.407, 251.0], ['B', ' CB ', 244.813, 283.129, 248.479], ['B', ' CG ', 244.807, 283.51, 247.017], ['B', ' CD ', 245.796, 284.607, 246.696], ['B', ' OE1', 246.369, 285.183, 247.642], ['B', ' OE2', 246.001, 284.895, 245.499]]
[['B', ' N ', 243.928, 281.412, 251.117], ['B', ' CA ', 243.878, 281.406, 252.583], ['B', ' C ', 244.801, 282.44, 253.206], ['B', ' O ', 245.804, 282.848, 252.62], ['B', ' CB ', 244.319, 279.984, 252.951], ['B', ' CG ', 244.958, 279.436, 251.731], ['B', ' CD ', 244.322, 280.107, 250.569]]
[['B', ' N ', 244.429, 282.887, 254.407], ['B', ' CA ', 245.284, 283.759, 255.207], ['B', ' C ', 245.662, 283.152, 256.551], ['B', ' O ', 246.853, 282.994, 256.84], ['B', ' CB ', 244.599, 285.11, 255.439], ['B', ' CG ', 243.796, 285.737, 254.311], ['B', ' CD1', 243.291, 287.083, 254.766], ['B', ' CD2', 244.669, 285.885, 253.084]]
[['B', ' N ', 244.682, 282.8, 257.381], ['B', ' CA ', 244.886, 282.611, 258.813], ['B', ' C ', 244.143, 281.356, 259.252], ['B', ' O ', 242.917, 281.379, 259.402], ['B', ' CB ', 244.402, 283.822, 259.625], ['B', ' CG1', 244.445, 283.522, 261.103], ['B', ' CG2', 245.228, 285.052, 259.304]]
[['B', ' N ', 244.874, 280.272, 259.476], ['B', ' CA ', 244.31, 279.05, 260.031], ['B', ' C ', 244.522, 279.066, 261.536], ['B', ' O ', 245.637, 279.313, 262.007], ['B', ' CB ', 244.957, 277.811, 259.409], ['B', ' CG ', 244.271, 276.52, 259.82], ['B', ' OD1', 243.985, 276.333, 261.021], ['B', ' OD2', 244.011, 275.685, 258.932]]
[['B', ' N ', 243.458, 278.799, 262.287], ['B', ' CA ', 243.531, 278.836, 263.733], ['B', ' C ', 243.125, 277.495, 264.328], ['B', ' O ', 242.054, 276.969, 263.994], ['B', ' CB ', 242.639, 279.941, 264.298], ['B', ' CG ', 243.099, 281.371, 264.031], ['B', ' CD1', 242.47, 282.288, 265.047], ['B', ' CD2', 244.608, 281.474, 264.09]]
[['B', ' N ', 243.939, 276.918, 265.201], ['B', ' CA ', 243.545, 275.684, 265.892], ['B', ' C ', 242.632, 275.943, 267.08], ['B', ' O ', 242.551, 275.109, 267.987], ['B', ' CB ', 244.888, 275.086, 266.339], ['B', ' CG ', 245.936, 275.812, 265.531], ['B', ' CD ', 245.379, 277.183, 265.34]]
[['B', ' N ', 241.967, 277.103, 267.098], ['B', ' CA ', 241.17, 277.508, 268.259], ['B', ' C ', 240.143, 276.437, 268.619], ['B', ' O ', 239.98, 276.079, 269.791], ['B', ' CB ', 240.499, 278.869, 267.999], ['B', ' CG1', 239.692, 278.847, 266.702], ['B', ' CG2', 241.534, 279.956, 267.92], ['B', ' CD1', 238.859, 280.084, 266.487]]
[['B', ' N ', 239.439, 275.912, 267.62], ['B', ' CA ', 238.519, 274.812, 267.83], ['B', ' C ', 237.427, 275.057, 268.847], ['B', ' O ', 237.409, 274.422, 269.905]]
[['B', ' N ', 236.507, 275.969, 268.547], ['B', ' CA ', 235.361, 276.218, 269.407], ['B', ' C ', 234.095, 275.807, 268.668], ['B', ' O ', 234.107, 275.527, 267.467], ['B', ' CB ', 235.281, 277.686, 269.865], ['B', ' CG1', 235.053, 278.606, 268.673], ['B', ' CG2', 236.552, 278.078, 270.589], ['B', ' CD1', 234.699, 280.012, 269.063]]
[['B', ' N ', 232.993, 275.758, 269.41], ['B', ' CA ', 231.707, 275.303, 268.886], ['B', ' C ', 230.893, 276.535, 268.509], ['B', ' O ', 230.243, 277.147, 269.36], ['B', ' CB ', 231.0, 274.434, 269.921], ['B', ' CG ', 229.655, 273.918, 269.447], ['B', ' ND2', 229.528, 272.6, 269.362], ['B', ' OD1', 228.74, 274.69, 269.167]]
[['B', ' N ', 230.92, 276.899, 267.229], ['B', ' CA ', 230.281, 278.12, 266.749], ['B', ' C ', 228.911, 277.787, 266.183], ['B', ' O ', 228.772, 276.866, 265.37], ['B', ' CB ', 231.143, 278.816, 265.685], ['B', ' CG1', 232.521, 279.156, 266.236], ['B', ' CG2', 230.459, 280.079, 265.199], ['B', ' CD1', 233.448, 279.741, 265.2]]
[['B', ' N ', 227.893, 278.524, 266.625], ['B', ' CA ', 226.576, 278.504, 265.997], ['B', ' C ', 225.972, 279.905, 265.997], ['B', ' O ', 224.796, 280.095, 266.323], ['B', ' CB ', 225.649, 277.499, 266.679], ['B', ' CG2', 224.486, 277.138, 265.766], ['B', ' OG1', 226.377, 276.298, 266.96]]
[['B', ' N ', 226.772, 280.905, 265.654], ['B', ' CA ', 226.287, 282.273, 265.478], ['B', ' C ', 227.366, 283.046, 264.725], ['B', ' O ', 228.389, 282.477, 264.325], ['B', ' CB ', 225.917, 282.916, 266.816], ['B', ' CG ', 224.896, 284.04, 266.69], ['B', ' CD ', 224.462, 284.59, 268.041], ['B', ' NE ', 223.599, 283.669, 268.774], ['B', ' CZ ', 222.272, 283.679, 268.71], ['B', ' NH1', 221.649, 284.561, 267.945], ['B', ' NH2', 221.567, 282.804, 269.409]]
[['B', ' N ', 227.142, 284.345, 264.535], ['B', ' CA ', 227.909, 285.184, 263.624], ['B', ' C ', 227.464, 286.62, 263.84], ['B', ' O ', 226.311, 286.864, 264.193], ['B', ' CB ', 227.676, 284.742, 262.172], ['B', ' CG ', 228.4, 285.56, 261.142], ['B', ' CD1', 229.759, 285.428, 260.953], ['B', ' CD2', 227.701, 286.422, 260.315], ['B', ' CE1', 230.408, 286.172, 259.985], ['B', ' CE2', 228.344, 287.162, 259.351], ['B', ' CZ ', 229.697, 287.038, 259.185]]
[['B', ' N ', 228.374, 287.564, 263.641], ['B', ' CA ', 228.045, 288.958, 263.923], ['B', ' C ', 229.096, 289.833, 263.246], ['B', ' O ', 230.005, 289.333, 262.577], ['B', ' CB ', 227.968, 289.174, 265.436], ['B', ' CG ', 227.229, 290.417, 265.898], ['B', ' CD ', 228.113, 291.632, 266.018], ['B', ' NE2', 227.531, 292.804, 265.801], ['B', ' OE1', 229.31, 291.524, 266.277]]
[['B', ' N ', 228.955, 291.148, 263.4], ['B', ' CA ', 229.935, 292.097, 262.893], ['B', ' C ', 230.11, 293.264, 263.863], ['B', ' O ', 229.143, 293.752, 264.451], ['B', ' CB ', 229.542, 292.596, 261.495], ['B', ' CG2', 228.134, 293.14, 261.485], ['B', ' OG1', 230.453, 293.613, 261.071]]
[['B', ' N ', 231.356, 293.708, 264.017], ['B', ' CA ', 231.748, 294.761, 264.956], ['B', ' C ', 232.233, 295.962, 264.145], ['B', ' O ', 233.417, 296.053, 263.808], ['B', ' CB ', 232.838, 294.247, 265.897], ['B', ' CG ', 233.138, 294.877, 267.26], ['B', ' CD1', 233.905, 293.882, 268.117], ['B', ' CD2', 233.92, 296.175, 267.13]]
[['B', ' N ', 231.337, 296.901, 263.855], ['B', ' CA ', 231.638, 297.995, 262.945], ['B', ' C ', 231.575, 299.325, 263.679], ['B', ' O ', 230.795, 299.498, 264.619], ['B', ' CB ', 230.663, 298.022, 261.772], ['B', ' CG ', 230.669, 296.818, 260.831], ['B', ' CD1', 230.175, 297.22, 259.447], ['B', ' CD2', 232.043, 296.188, 260.755]]
[['B', ' N ', 232.399, 300.269, 263.23], ['B', ' CA ', 232.414, 301.599, 263.82], ['B', ' C ', 231.117, 302.339, 263.504], ['B', ' O ', 230.369, 301.973, 262.594], ['B', ' CB ', 233.612, 302.4, 263.317]]
[['B', ' N ', 230.849, 303.389, 264.277], ['B', ' CA ', 229.608, 304.148, 264.143], ['B', ' C ', 229.878, 305.65, 264.224], ['B', ' O ', 229.182, 306.393, 264.917], ['B', ' CB ', 228.595, 303.721, 265.204], ['B', ' CG ', 227.122, 303.975, 264.888], ['B', ' CD1', 226.633, 302.996, 263.838], ['B', ' CD2', 226.273, 303.895, 266.142]]
[['B', ' N ', 230.904, 306.119, 263.518], ['B', ' CA ', 231.134, 307.56, 263.418], ['B', ' C ', 231.589, 307.937, 262.013], ['B', ' O ', 230.788, 308.384, 261.19], ['B', ' CB ', 232.162, 308.034, 264.455], ['B', ' CG ', 233.576, 308.06, 263.957], ['B', ' CD2', 234.342, 309.083, 263.51], ['B', ' ND1', 234.373, 306.936, 263.905], ['B', ' CE1', 235.564, 307.264, 263.435], ['B', ' NE2', 235.571, 308.562, 263.187]]
[['B', ' N ', 228.482, 300.558, 250.262], ['B', ' CA ', 228.127, 301.253, 251.494], ['B', ' C ', 227.567, 300.286, 252.535], ['B', ' O ', 227.038, 300.702, 253.566], ['B', ' CB ', 227.126, 302.352, 251.203]]
[['B', ' N ', 227.697, 298.994, 252.26], ['B', ' CA ', 227.118, 297.95, 253.094], ['B', ' C ', 227.876, 296.66, 252.824], ['B', ' O ', 228.976, 296.676, 252.262], ['B', ' CB ', 225.621, 297.808, 252.818]]
[['B', ' N ', 227.298, 295.534, 253.226], ['B', ' CA ', 227.958, 294.265, 252.963], ['B', ' C ', 227.0, 293.216, 252.423], ['B', ' O ', 225.79, 293.435, 252.378], ['B', ' CB ', 228.645, 293.76, 254.226], ['B', ' CG ', 227.798, 293.777, 255.475], ['B', ' CD1', 227.8, 294.872, 256.322], ['B', ' CD2', 227.028, 292.683, 255.825], ['B', ' CE1', 227.046, 294.881, 257.468], ['B', ' CE2', 226.269, 292.686, 256.971], ['B', ' CZ ', 226.282, 293.785, 257.786], ['B', ' OH ', 225.522, 293.784, 258.927]]
[['B', ' N ', 227.532, 292.072, 252.015], ['B', ' CA ', 226.737, 291.003, 251.424], ['B', ' C ', 226.999, 289.745, 252.227], ['B', ' O ', 228.137, 289.517, 252.641], ['B', ' CB ', 227.117, 290.781, 249.961], ['B', ' CG ', 227.12, 292.018, 249.09], ['B', ' CD1', 228.213, 292.867, 249.057], ['B', ' CD2', 226.018, 292.349, 248.322], ['B', ' CE1', 228.216, 293.992, 248.272], ['B', ' CE2', 226.024, 293.467, 247.521], ['B', ' CZ ', 227.12, 294.288, 247.514], ['B', ' OH ', 227.123, 295.411, 246.731]]
[['B', ' N ', 225.972, 288.934, 252.459], ['B', ' CA ', 226.127, 287.688, 253.203], ['B', ' C ', 225.471, 286.556, 252.43], ['B', ' O ', 224.263, 286.59, 252.169], ['B', ' CB ', 225.538, 287.789, 254.614], ['B', ' CG1', 225.62, 286.445, 255.292], ['B', ' CG2', 226.279, 288.832, 255.414]]
[['B', ' N ', 226.262, 285.548, 252.079], ['B', ' CA ', 225.761, 284.313, 251.527], ['B', ' C ', 225.759, 283.21, 252.56], ['B', ' O ', 225.76, 283.456, 253.77]]
[['B', ' N ', 225.767, 281.972, 252.077], ['B', ' CA ', 225.832, 280.81, 252.96], ['B', ' C ', 226.496, 279.677, 252.194], ['B', ' O ', 225.93, 279.179, 251.219], ['B', ' CB ', 224.445, 280.405, 253.442], ['B', ' CG ', 223.948, 281.217, 254.609], ['B', ' CD1', 224.322, 280.904, 255.904], ['B', ' CD2', 223.103, 282.298, 254.415], ['B', ' CE1', 223.872, 281.645, 256.969], ['B', ' CE2', 222.654, 283.045, 255.471], ['B', ' CZ ', 223.04, 282.715, 256.746], ['B', ' OH ', 222.587, 283.463, 257.802]]
[['B', ' N ', 227.686, 279.274, 252.632], ['B', ' CA ', 228.407, 278.205, 251.955], ['B', ' C ', 227.606, 276.914, 252.023], ['B', ' O ', 226.997, 276.598, 253.047], ['B', ' CB ', 229.784, 278.005, 252.59], ['B', ' CG ', 230.738, 279.196, 252.752], ['B', ' CD1', 232.167, 278.715, 252.88], ['B', ' CD2', 230.624, 280.17, 251.6]]
[['B', ' N ', 227.609, 276.161, 250.927], ['B', ' CA ', 226.752, 274.994, 250.804], ['B', ' C ', 227.547, 273.819, 250.255], ['B', ' O ', 228.437, 274.013, 249.414], ['B', ' CB ', 225.562, 275.295, 249.882], ['B', ' CG ', 224.36, 274.402, 250.075], ['B', ' CD ', 223.073, 275.091, 249.698], ['B', ' NE2', 222.356, 274.523, 248.74], ['B', ' OE1', 222.727, 276.126, 250.26]]
[['B', ' N ', 227.256, 272.597, 250.704], ['B', ' CA ', 227.994, 271.436, 250.194], ['B', ' C ', 227.66, 271.122, 248.746], ['B', ' O ', 226.558, 270.659, 248.439], ['B', ' CB ', 227.556, 270.303, 251.13], ['B', ' CG ', 226.258, 270.755, 251.686], ['B', ' CD ', 226.369, 272.234, 251.819]]
[['B', ' N ', 228.61, 271.365, 247.848], ['B', ' CA ', 228.42, 271.118, 246.43], ['B', ' C ', 229.701, 270.539, 245.858], ['B', ' O ', 230.747, 270.532, 246.507], ['B', ' CB ', 228.036, 272.398, 245.684], ['B', ' CG ', 226.632, 272.893, 245.979], ['B', ' CD ', 225.604, 272.187, 245.121], ['B', ' NE ', 224.4, 272.991, 244.945], ['B', ' CZ ', 224.32, 274.055, 244.153], ['B', ' NH1', 225.374, 274.45, 243.454], ['B', ' NH2', 223.181, 274.723, 244.055]]
[['B', ' N ', 229.608, 270.046, 244.628], ['B', ' CA ', 230.748, 269.508, 243.899], ['B', ' C ', 230.996, 270.37, 242.67], ['B', ' O ', 230.068, 270.654, 241.909], ['B', ' CB ', 230.516, 268.041, 243.52], ['B', ' CG2', 229.237, 267.863, 242.731], ['B', ' OG1', 231.63, 267.553, 242.768]]
[['B', ' N ', 232.235, 270.809, 242.496], ['B', ' CA ', 232.574, 271.779, 241.47], ['B', ' C ', 233.492, 271.152, 240.434], ['B', ' O ', 233.794, 269.959, 240.471], ['B', ' CB ', 233.246, 273.011, 242.081], ['B', ' CG ', 232.287, 274.09, 242.475], ['B', ' CD1', 231.188, 273.803, 243.26], ['B', ' CD2', 232.492, 275.394, 242.081], ['B', ' CE1', 230.305, 274.791, 243.627], ['B', ' CE2', 231.611, 276.384, 242.452], ['B', ' CZ ', 230.519, 276.08, 243.228]]
[['B', ' N ', 233.92, 271.977, 239.487], ['B', ' CA ', 234.94, 271.615, 238.51], ['B', ' C ', 235.852, 272.818, 238.343], ['B', ' O ', 235.451, 273.823, 237.75], ['B', ' CB ', 234.321, 271.217, 237.176], ['B', ' CG ', 235.357, 270.798, 236.138], ['B', ' CD1', 236.063, 269.539, 236.583], ['B', ' CD2', 234.737, 270.619, 234.779]]
[['B', ' N ', 237.069, 272.724, 238.856], ['B', ' CA ', 237.986, 273.848, 238.843], ['B', ' C ', 238.983, 273.707, 237.703], ['B', ' O ', 239.362, 272.6, 237.319], ['B', ' CB ', 238.734, 273.976, 240.168], ['B', ' CG ', 237.996, 274.714, 241.279], ['B', ' CD1', 237.738, 276.139, 240.852], ['B', ' CD2', 236.707, 274.032, 241.663]]
[['B', ' N ', 239.394, 274.845, 237.162], ['B', ' CA ', 240.38, 274.912, 236.099], ['B', ' C ', 241.627, 275.607, 236.616], ['B', ' O ', 241.536, 276.561, 237.39], ['B', ' CB ', 239.835, 275.67, 234.892], ['B', ' CG ', 240.803, 275.77, 233.727], ['B', ' CD ', 240.167, 276.432, 232.526], ['B', ' CE ', 241.121, 276.464, 231.355], ['B', ' NZ ', 240.484, 277.087, 230.169]]
[['B', ' N ', 242.789, 275.13, 236.185], ['B', ' CA ', 244.066, 275.726, 236.541], ['B', ' C ', 244.802, 276.152, 235.28], ['B', ' O ', 244.858, 275.404, 234.302], ['B', ' CB ', 244.926, 274.746, 237.336], ['B', ' CG ', 244.454, 274.494, 238.744], ['B', ' CD1', 243.44, 273.595, 239.004], ['B', ' CD2', 245.037, 275.142, 239.814], ['B', ' CE1', 243.012, 273.36, 240.283], ['B', ' CE2', 244.617, 274.912, 241.097], ['B', ' CZ ', 243.602, 274.023, 241.325], ['B', ' OH ', 243.182, 273.793, 242.609]]
[['B', ' N ', 245.362, 277.356, 235.304], ['B', ' CA ', 246.174, 277.847, 234.2], ['B', ' C ', 247.584, 277.273, 234.327], ['B', ' O ', 247.827, 276.328, 235.079], ['B', ' CB ', 246.165, 279.37, 234.171], ['B', ' CG ', 246.987, 279.978, 235.28], ['B', ' ND2', 247.626, 281.099, 234.991], ['B', ' OD1', 247.047, 279.451, 236.386]]
[['B', ' N ', 248.538, 277.828, 233.579], ['B', ' CA ', 249.884, 277.262, 233.582], ['B', ' C ', 250.566, 277.44, 234.933], ['B', ' O ', 251.332, 276.571, 235.363], ['B', ' CB ', 250.729, 277.884, 232.469], ['B', ' CG ', 251.037, 279.361, 232.652], ['B', ' CD ', 251.854, 279.931, 231.513], ['B', ' OE1', 252.21, 279.162, 230.595], ['B', ' OE2', 252.137, 281.148, 231.534]]
[['B', ' N ', 250.307, 278.551, 235.618], ['B', ' CA ', 251.0, 278.86, 236.86], ['B', ' C ', 250.294, 278.317, 238.09], ['B', ' O ', 250.705, 278.629, 239.209], ['B', ' CB ', 251.179, 280.367, 237.019], ['B', ' CG ', 252.043, 280.972, 235.942], ['B', ' ND2', 251.87, 282.265, 235.726], ['B', ' OD1', 252.858, 280.297, 235.317]]
[['B', ' N ', 249.239, 277.531, 237.921], ['B', ' CA ', 248.559, 276.985, 239.073], ['B', ' C ', 247.567, 277.906, 239.736], ['B', ' O ', 247.305, 277.753, 240.931]]
[['B', ' N ', 247.007, 278.861, 239.002], ['B', ' CA ', 246.001, 279.773, 239.524], ['B', ' C ', 244.655, 279.46, 238.892], ['B', ' O ', 244.544, 279.397, 237.665], ['B', ' CB ', 246.381, 281.225, 239.25], ['B', ' CG2', 245.187, 282.132, 239.448], ['B', ' OG1', 247.431, 281.618, 240.141]]
[['B', ' N ', 243.642, 279.259, 239.734], ['B', ' CA ', 242.292, 279.025, 239.243], ['B', ' C ', 241.86, 280.187, 238.362], ['B', ' O ', 242.074, 281.358, 238.697], ['B', ' CB ', 241.338, 278.834, 240.432], ['B', ' CG1', 241.417, 277.408, 240.953], ['B', ' CG2', 239.922, 279.162, 240.047], ['B', ' CD1', 240.775, 277.238, 242.296]]
[['B', ' N ', 241.261, 279.869, 237.212], ['B', ' CA ', 240.79, 280.888, 236.286], ['B', ' C ', 239.307, 280.813, 235.966], ['B', ' O ', 238.725, 281.844, 235.614], ['B', ' CB ', 241.57, 280.824, 234.966], ['B', ' CG2', 243.039, 281.067, 235.208], ['B', ' OG1', 241.391, 279.537, 234.368]]
[['B', ' N ', 238.683, 279.642, 236.052], ['B', ' CA ', 237.242, 279.55, 235.879], ['B', ' C ', 236.761, 278.265, 236.527], ['B', ' O ', 237.522, 277.312, 236.689], ['B', ' CB ', 236.842, 279.597, 234.405], ['B', ' CG ', 235.401, 280.005, 234.213], ['B', ' OD1', 234.701, 280.182, 235.229], ['B', ' OD2', 234.968, 280.16, 233.053]]
[['B', ' N ', 235.482, 278.251, 236.892], ['B', ' CA ', 234.911, 277.137, 237.631], ['B', ' C ', 233.532, 276.811, 237.09], ['B', ' O ', 232.826, 277.682, 236.581], ['B', ' CB ', 234.812, 277.44, 239.125]]
[['B', ' N ', 233.149, 275.548, 237.22], ['B', ' CA ', 231.876, 275.051, 236.722], ['B', ' C ', 231.156, 274.347, 237.859], ['B', ' O ', 231.725, 273.462, 238.505], ['B', ' CB ', 232.071, 274.1, 235.53], ['B', ' CG1', 230.828, 273.285, 235.3], ['B', ' CG2', 232.419, 274.885, 234.292]]
[['B', ' N ', 229.911, 274.737, 238.099], ['B', ' CA ', 229.067, 274.077, 239.081], ['B', ' C ', 228.535, 272.797, 238.46], ['B', ' O ', 228.075, 272.81, 237.318], ['B', ' CB ', 227.919, 274.995, 239.494], ['B', ' CG ', 227.117, 274.451, 240.661], ['B', ' OD1', 226.928, 273.22, 240.758], ['B', ' OD2', 226.661, 275.266, 241.489]]
[['B', ' N ', 228.606, 271.688, 239.198], ['B', ' CA ', 228.134, 270.432, 238.625], ['B', ' C ', 226.615, 270.363, 238.611], ['B', ' O ', 226.029, 269.763, 237.706], ['B', ' CB ', 228.71, 269.236, 239.38], ['B', ' SG ', 230.483, 268.953, 239.132]]
[['B', ' N ', 225.959, 270.979, 239.589], ['B', ' CA ', 224.52, 270.835, 239.779], ['B', ' C ', 223.771, 272.149, 239.585], ['B', ' O ', 222.879, 272.489, 240.362], ['B', ' CB ', 224.217, 270.259, 241.157]]
[['B', ' N ', 224.119, 272.904, 238.548], ['B', ' CA ', 223.371, 274.112, 238.232], ['B', ' C ', 222.307, 273.856, 237.172], ['B', ' O ', 221.156, 274.268, 237.334], ['B', ' CB ', 224.321, 275.217, 237.771], ['B', ' CG ', 223.619, 276.476, 237.272], ['B', ' CD1', 222.891, 277.14, 238.408], ['B', ' CD2', 224.598, 277.437, 236.641]]
[['B', ' N ', 222.672, 273.181, 236.089], ['B', ' CA ', 221.745, 272.877, 235.008], ['B', ' C ', 222.308, 271.698, 234.225], ['B', ' O ', 223.466, 271.311, 234.426], ['B', ' CB ', 221.52, 274.102, 234.103], ['B', ' CG ', 222.808, 274.725, 233.632], ['B', ' OD1', 223.88, 274.308, 234.105], ['B', ' OD2', 222.753, 275.639, 232.786]]
[['B', ' N ', 221.508, 271.084, 233.348], ['B', ' CA ', 221.991, 269.885, 232.641], ['B', ' C ', 223.276, 270.082, 231.858], ['B', ' O ', 224.123, 269.177, 231.831], ['B', ' CB ', 220.82, 269.552, 231.717], ['B', ' CG ', 219.64, 270.022, 232.463], ['B', ' CD ', 220.058, 271.266, 233.172]]
[['B', ' N ', 223.449, 271.231, 231.209], ['B', ' CA ', 224.682, 271.473, 230.469], ['B', ' C ', 225.887, 271.419, 231.397], ['B', ' O ', 226.936, 270.863, 231.045], ['B', ' CB ', 224.606, 272.821, 229.764], ['B', ' CG ', 225.904, 273.367, 229.183], ['B', ' CD1', 226.535, 272.366, 228.236], ['B', ' CD2', 225.647, 274.679, 228.48]]
[['B', ' N ', 225.751, 271.986, 232.593], ['B', ' CA ', 226.821, 271.9, 233.573], ['B', ' C ', 227.018, 270.476, 234.069], ['B', ' O ', 228.149, 270.084, 234.356], ['B', ' CB ', 226.531, 272.838, 234.733], ['B', ' OG ', 226.525, 274.181, 234.291]]
[['B', ' N ', 225.944, 269.688, 234.177], ['B', ' CA ', 226.103, 268.262, 234.455], ['B', ' C ', 227.017, 267.608, 233.431], ['B', ' O ', 227.923, 266.844, 233.783], ['B', ' CB ', 224.745, 267.557, 234.456], ['B', ' CG ', 223.754, 267.917, 235.561], ['B', ' CD ', 224.206, 267.476, 236.945], ['B', ' OE1', 224.899, 266.443, 237.044], ['B', ' OE2', 223.829, 268.134, 237.937]]
[['B', ' N ', 226.785, 267.888, 232.149], ['B', ' CA ', 227.605, 267.274, 231.111], ['B', ' C ', 229.049, 267.746, 231.198], ['B', ' O ', 229.983, 266.937, 231.122], ['B', ' CB ', 227.031, 267.58, 229.735], ['B', ' CG2', 225.591, 267.173, 229.684], ['B', ' OG1', 227.124, 268.984, 229.486]]
[['B', ' N ', 229.255, 269.053, 231.353], ['B', ' CA ', 230.614, 269.561, 231.501], ['B', ' C ', 231.314, 268.878, 232.668], ['B', ' O ', 232.463, 268.443, 232.554], ['B', ' CB ', 230.6, 271.073, 231.715], ['B', ' CG ', 230.145, 271.906, 230.541], ['B', ' CD ', 229.84, 273.314, 231.018], ['B', ' CE ', 229.851, 274.314, 229.886], ['B', ' NZ ', 229.593, 275.686, 230.392]]
[['B', ' N ', 230.614, 268.755, 233.795], ['B', ' CA ', 231.2, 268.185, 234.999], ['B', ' C ', 231.54, 266.711, 234.813], ['B', ' O ', 232.56, 266.235, 235.321], ['B', ' CB ', 230.238, 268.388, 236.17], ['B', ' SG ', 230.611, 267.511, 237.702]]
[['B', ' N ', 230.701, 265.969, 234.091], ['B', ' CA ', 230.972, 264.549, 233.907], ['B', ' C ', 231.941, 264.262, 232.769], ['B', ' O ', 232.395, 263.121, 232.644], ['B', ' CB ', 229.678, 263.777, 233.658], ['B', ' CG2', 229.122, 264.105, 232.293], ['B', ' OG1', 229.952, 262.373, 233.707]]
[['B', ' N ', 232.26, 265.248, 231.933], ['B', ' CA ', 233.253, 265.046, 230.887], ['B', ' C ', 234.643, 265.532, 231.269], ['B', ' O ', 235.6, 265.231, 230.551], ['B', ' CB ', 232.825, 265.745, 229.594], ['B', ' CG ', 231.918, 264.96, 228.656], ['B', ' CD1', 231.634, 265.772, 227.417], ['B', ' CD2', 232.56, 263.641, 228.297]]
[['B', ' N ', 234.778, 266.258, 232.377], ['B', ' CA ', 236.034, 266.899, 232.756], ['B', ' C ', 236.557, 267.773, 231.62], ['B', ' O ', 237.711, 267.675, 231.201], ['B', ' CB ', 237.082, 265.872, 233.185], ['B', ' CG ', 236.568, 264.826, 234.151], ['B', ' CD ', 236.745, 265.259, 235.593], ['B', ' CE ', 236.57, 264.083, 236.539], ['B', ' NZ ', 235.334, 263.308, 236.242]]
[['B', ' N ', 235.682, 268.633, 231.111], ['B', ' CA ', 236.051, 269.554, 230.05], ['B', ' C ', 235.128, 270.759, 230.113], ['B', ' O ', 234.088, 270.736, 230.773], ['B', ' CB ', 235.984, 268.884, 228.678], ['B', ' OG ', 236.243, 269.819, 227.648]]
[['B', ' N ', 235.527, 271.827, 229.425], ['B', ' CA ', 234.719, 273.032, 229.341], ['B', ' C ', 234.023, 273.194, 228.002], ['B', ' O ', 233.124, 274.031, 227.889], ['B', ' CB ', 235.576, 274.271, 229.618], ['B', ' CG ', 235.789, 274.535, 231.075], ['B', ' CD1', 236.449, 273.615, 231.869], ['B', ' CD2', 235.314, 275.694, 231.658], ['B', ' CE1', 236.641, 273.852, 233.208], ['B', ' CE2', 235.505, 275.933, 232.997], ['B', ' CZ ', 236.169, 275.01, 233.773]]
[['B', ' N ', 234.412, 272.423, 226.995], ['B', ' CA ', 233.719, 272.377, 225.72], ['B', ' C ', 233.077, 271.009, 225.559], ['B', ' O ', 233.713, 269.982, 225.813], ['B', ' CB ', 234.675, 272.635, 224.554], ['B', ' CG2', 234.989, 274.117, 224.436], ['B', ' OG1', 235.889, 271.904, 224.764]]
[['B', ' N ', 231.818, 270.996, 225.141], ['B', ' CA ', 231.091, 269.759, 224.898], ['B', ' C ', 230.657, 269.758, 223.444], ['B', ' O ', 229.85, 270.6, 223.031], ['B', ' CB ', 229.882, 269.609, 225.83], ['B', ' CG1', 228.961, 268.531, 225.321], ['B', ' CG2', 230.355, 269.28, 227.22]]
[['B', ' N ', 231.187, 268.818, 222.674], ['B', ' CA ', 230.951, 268.789, 221.244], ['B', ' C ', 229.511, 268.388, 220.949], ['B', ' O ', 228.728, 268.061, 221.842], ['B', ' CB ', 231.917, 267.819, 220.572], ['B', ' CG ', 233.356, 268.268, 220.638], ['B', ' CD ', 234.005, 267.913, 221.959], ['B', ' OE1', 233.339, 267.259, 222.791], ['B', ' OE2', 235.174, 268.296, 222.171]]
[['B', ' N ', 229.165, 268.431, 219.667], ['B', ' CA ', 227.881, 267.915, 219.225], ['B', ' C ', 227.74, 266.462, 219.639], ['B', ' O ', 228.672, 265.669, 219.485], ['B', ' CB ', 227.765, 268.04, 217.711], ['B', ' CG ', 226.48, 267.496, 217.141], ['B', ' CD ', 226.526, 267.533, 215.636], ['B', ' CE ', 226.478, 268.954, 215.132], ['B', ' NZ ', 225.186, 269.589, 215.482]]
[['B', ' N ', 226.581, 266.113, 220.172], ['B', ' CA ', 226.344, 264.746, 220.577], ['B', ' C ', 225.24, 264.674, 221.61], ['B', ' O ', 224.514, 265.637, 221.841]]
[['B', ' N ', 225.137, 263.499, 222.221], ['B', ' CA ', 224.104, 263.202, 223.201], ['B', ' C ', 224.73, 262.378, 224.321], ['B', ' O ', 225.11, 261.221, 224.112], ['B', ' CB ', 222.912, 262.479, 222.553], ['B', ' CG1', 221.884, 262.095, 223.598], ['B', ' CG2', 223.361, 261.299, 221.72], ['B', ' CD1', 220.655, 261.464, 223.04]]
[['B', ' N ', 224.85, 262.976, 225.504], ['B', ' CA ', 225.65, 262.425, 226.588], ['B', ' C ', 224.771, 262.011, 227.755], ['B', ' O ', 223.905, 262.772, 228.192], ['B', ' CB ', 226.679, 263.436, 227.082], ['B', ' CG ', 227.693, 263.84, 226.049], ['B', ' CD1', 227.461, 264.908, 225.207], ['B', ' CD2', 228.884, 263.153, 225.919], ['B', ' CE1', 228.384, 265.278, 224.267], ['B', ' CE2', 229.813, 263.518, 224.98], ['B', ' CZ ', 229.558, 264.582, 224.158], ['B', ' OH ', 230.483, 264.953, 223.215]]
[['B', ' N ', 225.012, 260.811, 228.27], ['B', ' CA ', 224.315, 260.314, 229.447], ['B', ' C ', 224.95, 260.95, 230.674], ['B', ' O ', 226.177, 260.966, 230.796], ['B', ' CB ', 224.396, 258.791, 229.512], ['B', ' CG ', 223.536, 258.155, 230.585], ['B', ' CD ', 224.211, 258.097, 231.928], ['B', ' NE2', 223.416, 258.135, 232.986], ['B', ' OE1', 225.432, 258.013, 232.019]]
[['B', ' N ', 224.128, 261.475, 231.58], ['B', ' CA ', 224.64, 262.307, 232.662], ['B', ' C ', 224.396, 261.756, 234.06], ['B', ' O ', 225.327, 261.734, 234.868], ['B', ' CB ', 224.073, 263.733, 232.544], ['B', ' CG2', 222.57, 263.773, 232.725], ['B', ' OG1', 224.705, 264.579, 233.509]]
[['B', ' N ', 223.189, 261.316, 234.389], ['B', ' CA ', 222.904, 260.909, 235.761], ['B', ' C ', 221.681, 260.0, 235.757], ['B', ' O ', 221.262, 259.507, 234.706], ['B', ' CB ', 222.72, 262.144, 236.656], ['B', ' OG ', 221.387, 262.612, 236.597]]
[['B', ' N ', 221.112, 259.77, 236.934], ['B', ' CA ', 219.931, 258.941, 237.096], ['B', ' C ', 218.797, 259.744, 237.715], ['B', ' O ', 218.948, 260.91, 238.08], ['B', ' CB ', 220.234, 257.712, 237.955], ['B', ' CG ', 221.125, 256.718, 237.25], ['B', ' ND2', 222.085, 256.161, 237.978], ['B', ' OD1', 220.953, 256.45, 236.064]]
[['B', ' N ', 217.647, 259.09, 237.831], ['B', ' CA ', 216.419, 259.721, 238.284], ['B', ' C ', 215.501, 258.662, 238.866], ['B', ' O ', 215.484, 257.524, 238.393], ['B', ' CB ', 215.735, 260.459, 237.132], ['B', ' CG ', 214.467, 261.162, 237.517], ['B', ' CD1', 214.495, 262.343, 238.23], ['B', ' CD2', 213.243, 260.667, 237.104], ['B', ' CE1', 213.316, 262.99, 238.564], ['B', ' CE2', 212.073, 261.304, 237.426], ['B', ' CZ ', 212.103, 262.468, 238.156]]
[['B', ' N ', 214.762, 259.034, 239.908], ['B', ' CA ', 213.722, 258.172, 240.447], ['B', ' C ', 212.834, 258.987, 241.369], ['B', ' O ', 213.329, 259.782, 242.168], ['B', ' CB ', 214.294, 256.981, 241.214], ['B', ' CG ', 215.428, 257.317, 242.14], ['B', ' CD ', 216.368, 256.142, 242.245], ['B', ' NE ', 215.735, 255.04, 242.962], ['B', ' CZ ', 215.787, 254.88, 244.279], ['B', ' NH1', 215.183, 253.847, 244.847], ['B', ' NH2', 216.438, 255.759, 245.028]]
[['B', ' N ', 211.525, 258.767, 241.264], ['B', ' CA ', 210.576, 259.506, 242.08], ['B', ' C ', 210.784, 259.162, 243.546], ['B', ' O ', 210.915, 257.988, 243.917], ['B', ' CB ', 209.139, 259.197, 241.636], ['B', ' CG1', 208.145, 259.762, 242.625], ['B', ' CG2', 208.892, 259.76, 240.261]]
[['B', ' N ', 210.832, 260.186, 244.385], ['B', ' CA ', 210.955, 259.963, 245.814], ['B', ' C ', 209.591, 259.645, 246.423], ['B', ' O ', 208.559, 260.092, 245.918], ['B', ' CB ', 211.553, 261.189, 246.493], ['B', ' CG ', 212.966, 261.515, 246.043], ['B', ' CD ', 213.825, 260.282, 245.873], ['B', ' NE2', 214.456, 260.16, 244.714], ['B', ' OE1', 213.92, 259.447, 246.771]]
[['B', ' N ', 209.562, 258.878, 247.508], ['B', ' CA ', 208.289, 258.563, 248.161], ['B', ' C ', 207.663, 259.805, 248.775], ['B', ' O ', 208.281, 260.863, 248.889], ['B', ' CB ', 208.684, 257.549, 249.235], ['B', ' CG ', 210.126, 257.832, 249.496], ['B', ' CD ', 210.699, 258.224, 248.173]]
[['B', ' N ', 206.402, 259.664, 249.171], ['B', ' CA ', 205.65, 260.783, 249.721], ['B', ' C ', 205.14, 260.534, 251.132], ['B', ' O ', 205.279, 261.41, 251.993], ['B', ' CB ', 204.476, 261.124, 248.797], ['B', ' CG2', 203.964, 262.521, 249.093], ['B', ' OG1', 204.915, 261.063, 247.436]]
[['B', ' N ', 204.542, 259.374, 251.399], ['B', ' CA ', 203.905, 259.109, 252.68], ['B', ' C ', 204.315, 257.739, 253.2], ['B', ' O ', 204.725, 256.86, 252.44], ['B', ' CB ', 202.377, 259.191, 252.575], ['B', ' CG ', 201.845, 260.58, 252.259], ['B', ' CD ', 201.458, 260.742, 250.806], ['B', ' OE1', 201.565, 259.76, 250.047], ['B', ' OE2', 201.039, 261.851, 250.422]]
[['B', ' N ', 204.183, 257.565, 254.516], ['B', ' CA ', 204.659, 256.383, 255.227], ['B', ' C ', 203.479, 255.536, 255.682], ['B', ' O ', 202.642, 256.001, 256.461], ['B', ' CB ', 205.51, 256.784, 256.429], ['B', ' OG ', 205.775, 255.663, 257.248]]
[['B', ' N ', 203.435, 254.289, 255.224], ['B', ' CA ', 202.336, 253.374, 255.503], ['B', ' C ', 202.826, 252.348, 256.514], ['B', ' O ', 203.772, 251.6, 256.238], ['B', ' CB ', 201.839, 252.685, 254.225], ['B', ' CG1', 201.376, 253.716, 253.208], ['B', ' CG2', 200.695, 251.767, 254.536], ['B', ' CD1', 200.243, 254.554, 253.69]]
[['B', ' N ', 202.184, 252.308, 257.679], ['B', ' CA ', 202.514, 251.368, 258.747], ['B', ' C ', 201.254, 250.584, 259.082], ['B', ' O ', 200.238, 251.175, 259.469], ['B', ' CB ', 203.058, 252.088, 259.991], ['B', ' CG1', 202.988, 251.185, 261.199], ['B', ' CG2', 204.484, 252.551, 259.758]]
[['B', ' N ', 201.311, 249.262, 258.932], ['B', ' CA ', 200.168, 248.408, 259.222], ['B', ' C ', 200.587, 247.277, 260.149], ['B', ' O ', 201.486, 246.5, 259.818], ['B', ' CB ', 199.565, 247.838, 257.935], ['B', ' CG ', 199.239, 248.88, 256.883], ['B', ' CD ', 197.888, 249.52, 257.115], ['B', ' NE ', 196.827, 248.864, 256.358], ['B', ' CZ ', 195.566, 249.282, 256.328], ['B', ' NH1', 195.207, 250.36, 257.01], ['B', ' NH2', 194.664, 248.63, 255.612]]
[['B', ' N ', 199.92, 247.178, 261.29], ['B', ' CA ', 200.061, 246.106, 262.263], ['B', ' C ', 198.695, 245.502, 262.524], ['B', ' O ', 197.669, 246.131, 262.244], ['B', ' CB ', 200.648, 246.587, 263.599], ['B', ' CG ', 202.082, 246.995, 263.537], ['B', ' CD1', 202.873, 246.649, 262.462], ['B', ' CD2', 202.639, 247.728, 264.566], ['B', ' CE1', 204.193, 247.019, 262.416], ['B', ' CE2', 203.958, 248.108, 264.523], ['B', ' CZ ', 204.738, 247.754, 263.448]]
[['B', ' N ', 198.645, 244.281, 263.053], ['B', ' CA ', 197.367, 243.753, 263.535], ['B', ' C ', 196.808, 244.653, 264.624], ['B', ' O ', 197.548, 245.184, 265.455], ['B', ' CB ', 197.736, 242.367, 264.076], ['B', ' CG ', 199.2, 242.448, 264.356], ['B', ' CD ', 199.747, 243.332, 263.281]]
[['B', ' N ', 195.491, 244.829, 264.614], ['B', ' CA ', 194.847, 245.713, 265.574], ['B', ' C ', 194.514, 245.017, 266.886], ['B', ' O ', 193.918, 245.641, 267.769], ['B', ' CB ', 193.586, 246.336, 264.964], ['B', ' CG ', 192.61, 245.305, 264.446], ['B', ' ND2', 191.438, 245.773, 264.032], ['B', ' OD1', 192.899, 244.109, 264.414]]
[['B', ' N ', 194.887, 243.748, 267.034], ['B', ' CA ', 194.735, 243.068, 268.313], ['B', ' C ', 195.713, 243.659, 269.318], ['B', ' O ', 196.877, 243.932, 268.995], ['B', ' CB ', 194.944, 241.555, 268.147], ['B', ' CG1', 194.772, 240.842, 269.49], ['B', ' CG2', 196.306, 241.259, 267.534], ['B', ' CD1', 193.389, 240.979, 270.081]]
[['B', ' N ', 195.237, 243.883, 270.54], ['B', ' CA ', 196.07, 244.359, 271.635], ['B', ' C ', 195.941, 243.408, 272.818], ['B', ' O ', 194.832, 242.998, 273.178], ['B', ' CB ', 195.701, 245.794, 272.038], ['B', ' CG2', 194.247, 245.896, 272.489], ['B', ' OG1', 196.57, 246.239, 273.088]]
[['B', ' N ', 197.082, 243.037, 273.395], ['B', ' CA ', 197.14, 242.146, 274.545], ['B', ' C ', 198.557, 242.159, 275.091], ['B', ' O ', 199.52, 242.089, 274.325], ['B', ' CB ', 196.731, 240.716, 274.175], ['B', ' CG ', 196.35, 239.894, 275.385], ['B', ' ND2', 196.547, 238.586, 275.297], ['B', ' OD1', 195.879, 240.429, 276.387]]
[['B', ' N ', 198.675, 242.241, 276.411], ['B', ' CA ', 199.98, 242.329, 277.047], ['B', ' C ', 200.654, 240.961, 277.061], ['B', ' O ', 200.049, 239.962, 277.463], ['B', ' CB ', 199.836, 242.879, 278.467], ['B', ' CG ', 201.101, 243.264, 279.234], ['B', ' CD1', 200.863, 244.532, 280.031], ['B', ' CD2', 201.518, 242.14, 280.161]]
[['B', ' N ', 201.903, 240.92, 276.616], ['B', ' CA ', 202.666, 239.679, 276.647], ['B', ' C ', 203.05, 239.343, 278.084], ['B', ' O ', 203.603, 240.195, 278.787], ['B', ' CB ', 203.921, 239.801, 275.788], ['B', ' SG ', 203.625, 239.73, 274.017]]
[['B', ' N ', 202.797, 238.122, 278.548], ['B', ' CA ', 203.16, 237.775, 279.927], ['B', ' C ', 204.664, 237.689, 280.116], ['B', ' O ', 205.233, 236.595, 280.179], ['B', ' CB ', 202.484, 236.415, 280.137], ['B', ' CG ', 202.386, 235.831, 278.777], ['B', ' CD ', 202.194, 236.987, 277.829]]
[['B', ' N ', 205.318, 238.846, 280.193], ['B', ' CA ', 206.744, 238.895, 280.474], ['B', ' C ', 207.04, 239.064, 281.956], ['B', ' O ', 208.102, 238.626, 282.419], ['B', ' CB ', 207.395, 240.03, 279.681], ['B', ' CG ', 208.019, 239.581, 278.391], ['B', ' CD1', 207.24, 239.372, 277.266], ['B', ' CD2', 209.382, 239.363, 278.303], ['B', ' CE1', 207.81, 238.958, 276.08], ['B', ' CE2', 209.956, 238.947, 277.119], ['B', ' CZ ', 209.169, 238.745, 276.007]]
[['B', ' N ', 206.127, 239.68, 282.708], ['B', ' CA ', 206.287, 239.73, 284.15], ['B', ' C ', 206.257, 238.351, 284.78], ['B', ' O ', 206.997, 238.073, 285.726]]
[['B', ' N ', 205.413, 237.464, 284.254], ['B', ' CA ', 205.36, 236.093, 284.742], ['B', ' C ', 206.622, 235.31, 284.417], ['B', ' O ', 206.791, 234.198, 284.928], ['B', ' CB ', 204.136, 235.385, 284.164], ['B', ' CG ', 202.816, 235.893, 284.718], ['B', ' CD ', 202.363, 237.19, 284.074], ['B', ' OE1', 203.065, 237.688, 283.169], ['B', ' OE2', 201.302, 237.713, 284.475]]
[['B', ' N ', 207.501, 235.854, 283.58], ['B', ' CA ', 208.799, 235.25, 283.313], ['B', ' C ', 209.833, 235.87, 284.238], ['B', ' O ', 210.573, 235.16, 284.926], ['B', ' CB ', 209.207, 235.428, 281.841], ['B', ' CG1', 210.614, 234.905, 281.614], ['B', ' CG2', 208.218, 234.719, 280.935]]
[['B', ' N ', 209.889, 237.201, 284.263], ['B', ' CA ', 210.954, 237.875, 284.998], ['B', ' C ', 210.681, 237.96, 286.497], ['B', ' O ', 211.628, 237.992, 287.291], ['B', ' CB ', 211.189, 239.267, 284.409], ['B', ' CG ', 211.847, 239.243, 283.059], ['B', ' CD1', 213.223, 239.192, 282.948], ['B', ' CD2', 211.09, 239.247, 281.902], ['B', ' CE1', 213.83, 239.166, 281.711], ['B', ' CE2', 211.694, 239.217, 280.663], ['B', ' CZ ', 213.065, 239.176, 280.567]]
[['B', ' N ', 209.414, 237.995, 286.909], ['B', ' CA ', 209.054, 238.052, 288.32], ['B', ' C ', 208.6, 236.7, 288.861], ['B', ' O ', 207.729, 236.643, 289.734], ['B', ' CB ', 207.968, 239.102, 288.553], ['B', ' CG ', 208.489, 240.52, 288.437], ['B', ' ND2', 207.639, 241.426, 287.963], ['B', ' OD1', 209.64, 240.799, 288.771]]
[['B', ' N ', 209.167, 235.608, 288.357], ['B', ' CA ', 208.822, 234.286, 288.858], ['B', ' C ', 209.549, 234.002, 290.167], ['B', ' O ', 210.649, 234.504, 290.414], ['B', ' CB ', 209.16, 233.21, 287.827]]
[['B', ' N ', 208.916, 233.185, 291.012], ['B', ' CA ', 209.476, 232.917, 292.333], ['B', ' C ', 210.755, 232.087, 292.25], ['B', ' O ', 211.719, 232.356, 292.976], ['B', ' CB ', 208.43, 232.235, 293.219], ['B', ' CG2', 207.935, 230.933, 292.601], ['B', ' OG1', 208.985, 231.981, 294.517]]
[['B', ' N ', 210.794, 231.084, 291.374], ['B', ' CA ', 211.958, 230.218, 291.274], ['B', ' C ', 212.045, 229.648, 289.868], ['B', ' O ', 211.051, 229.595, 289.14], ['B', ' CB ', 211.908, 229.071, 292.289], ['B', ' CG ', 210.979, 227.939, 291.887], ['B', ' CD ', 211.084, 226.77, 292.843], ['B', ' NE ', 210.742, 227.16, 294.205], ['B', ' CZ ', 209.5, 227.223, 294.67], ['B', ' NH1', 208.481, 226.922, 293.879], ['B', ' NH2', 209.277, 227.588, 295.924]]
[['B', ' N ', 213.246, 229.216, 289.499], ['B', ' CA ', 213.52, 228.603, 288.211], ['B', ' C ', 213.999, 227.169, 288.423], ['B', ' O ', 214.067, 226.671, 289.553], ['B', ' CB ', 214.564, 229.416, 287.444], ['B', ' CG ', 214.132, 230.812, 287.102], ['B', ' CD1', 212.801, 231.177, 287.134], ['B', ' CD2', 215.069, 231.765, 286.753], ['B', ' CE1', 212.413, 232.463, 286.822], ['B', ' CE2', 214.686, 233.053, 286.438], ['B', ' CZ ', 213.356, 233.402, 286.474]]
[['B', ' N ', 214.329, 226.501, 287.324], ['B', ' CA ', 215.114, 225.279, 287.371], ['B', ' C ', 216.595, 225.642, 287.372], ['B', ' O ', 216.971, 226.796, 287.161], ['B', ' CB ', 214.773, 224.373, 286.193]]
[['B', ' N ', 217.45, 224.656, 287.634], ['B', ' CA ', 218.837, 225.034, 287.866], ['B', ' C ', 219.624, 225.197, 286.57], ['B', ' O ', 219.864, 226.324, 286.127], ['B', ' CB ', 219.498, 223.98, 288.75], ['B', ' OG ', 218.719, 223.774, 289.912]]
[['B', ' N ', 220.017, 224.091, 285.941], ['B', ' CA ', 220.457, 224.111, 284.551], ['B', ' C ', 219.984, 222.832, 283.878], ['B', ' O ', 219.921, 222.743, 282.647], ['B', ' CB ', 221.984, 224.268, 284.445], ['B', ' CG1', 222.68, 223.01, 284.924], ['B', ' CG2', 222.392, 224.615, 283.021]]
[['B', ' N ', 219.637, 221.838, 284.692], ['B', ' CA ', 219.406, 220.492, 284.191], ['B', ' C ', 217.953, 220.243, 283.83], ['B', ' O ', 217.672, 219.383, 282.988], ['B', ' CB ', 219.88, 219.465, 285.222], ['B', ' CG ', 218.84, 219.078, 286.241], ['B', ' CD1', 218.465, 219.96, 287.245], ['B', ' CD2', 218.249, 217.823, 286.217], ['B', ' CE1', 217.517, 219.609, 288.186], ['B', ' CE2', 217.301, 217.462, 287.155], ['B', ' CZ ', 216.939, 218.358, 288.137], ['B', ' OH ', 215.996, 218.005, 289.075]]
[['B', ' N ', 217.024, 220.97, 284.445], ['B', ' CA ', 215.629, 220.904, 284.031], ['B', ' C ', 215.302, 221.997, 283.021], ['B', ' O ', 214.673, 221.725, 281.995], ['B', ' CB ', 214.711, 220.999, 285.252]]
[['B', ' N ', 215.718, 223.228, 283.309], ['B', ' CA ', 215.628, 224.371, 282.397], ['B', ' C ', 214.265, 224.425, 281.695], ['B', ' O ', 214.137, 224.301, 280.478], ['B', ' CB ', 216.813, 224.375, 281.418], ['B', ' CG ', 216.712, 223.512, 280.185], ['B', ' CD1', 216.838, 222.157, 280.111], ['B', ' CD2', 216.507, 223.969, 278.843], ['B', ' CE2', 216.494, 222.834, 278.013], ['B', ' CE3', 216.316, 225.227, 278.267], ['B', ' NE1', 216.699, 221.74, 278.811], ['B', ' CZ2', 216.305, 222.92, 276.64], ['B', ' CZ3', 216.131, 225.31, 276.908], ['B', ' CH2', 216.126, 224.165, 276.107]]
[['B', ' N ', 213.228, 224.608, 282.511], ['B', ' CA ', 211.87, 224.665, 281.993], ['B', ' C ', 211.76, 225.724, 280.905], ['B', ' O ', 212.257, 226.845, 281.045], ['B', ' CB ', 210.88, 224.968, 283.119], ['B', ' CG ', 209.483, 225.253, 282.604], ['B', ' ND2', 209.156, 226.531, 282.455], ['B', ' OD1', 208.707, 224.335, 282.342]]
[['B', ' N ', 211.111, 225.354, 279.807], ['B', ' CA ', 210.994, 226.207, 278.635], ['B', ' C ', 209.578, 226.756, 278.564], ['B', ' O ', 208.608, 225.996, 278.643], ['B', ' CB ', 211.347, 225.433, 277.361], ['B', ' CG ', 210.626, 225.895, 276.109], ['B', ' CD ', 211.158, 227.229, 275.607], ['B', ' NE ', 212.53, 227.144, 275.116], ['B', ' CZ ', 212.885, 226.564, 273.977], ['B', ' NH1', 211.972, 225.996, 273.204], ['B', ' NH2', 214.157, 226.546, 273.611]]
[['B', ' N ', 209.467, 228.071, 278.416], ['B', ' CA ', 208.189, 228.763, 278.408], ['B', ' C ', 207.85, 229.185, 276.986], ['B', ' O ', 208.744, 229.45, 276.177], ['B', ' CB ', 208.232, 229.981, 279.335], ['B', ' CG ', 207.003, 230.864, 279.291], ['B', ' CD ', 205.795, 230.145, 279.859], ['B', ' CE ', 204.578, 231.053, 279.879], ['B', ' NZ ', 203.636, 230.684, 280.97]]
[['B', ' N ', 206.557, 229.229, 276.681], ['B', ' CA ', 206.062, 229.6, 275.365], ['B', ' C ', 205.247, 230.884, 275.456], ['B', ' O ', 204.462, 231.063, 276.393], ['B', ' CB ', 205.202, 228.48, 274.783], ['B', ' CG ', 205.032, 228.551, 273.287], ['B', ' CD ', 206.374, 228.481, 272.599], ['B', ' NE ', 206.284, 227.875, 271.274], ['B', ' CZ ', 205.776, 228.48, 270.207], ['B', ' NH1', 205.304, 229.716, 270.298], ['B', ' NH2', 205.745, 227.848, 269.043]]
[['B', ' N ', 205.44, 231.779, 274.487], ['B', ' CA ', 204.618, 232.976, 274.358], ['B', ' C ', 204.155, 233.091, 272.916], ['B', ' O ', 204.843, 232.656, 271.988], ['B', ' CB ', 205.358, 234.264, 274.769], ['B', ' CG1', 206.559, 234.502, 273.859], ['B', ' CG2', 205.786, 234.194, 276.223], ['B', ' CD1', 207.183, 235.852, 274.051]]
[['B', ' N ', 202.981, 233.69, 272.731], ['B', ' CA ', 202.448, 233.92, 271.395], ['B', ' C ', 201.28, 234.89, 271.482], ['B', ' O ', 200.668, 235.06, 272.54], ['B', ' CB ', 202.005, 232.614, 270.724], ['B', ' OG ', 203.112, 231.772, 270.449]]
[['B', ' N ', 200.997, 235.534, 270.348], ['B', ' CA ', 199.778, 236.313, 270.132], ['B', ' C ', 199.62, 237.433, 271.163], ['B', ' O ', 198.671, 237.466, 271.949], ['B', ' CB ', 198.553, 235.395, 270.121], ['B', ' CG ', 198.601, 234.385, 268.997], ['B', ' ND2', 197.91, 234.682, 267.903], ['B', ' OD1', 199.258, 233.353, 269.106]]
[['B', ' N ', 200.57, 238.363, 271.135], ['B', ' CA ', 200.503, 239.564, 271.958], ['B', ' C ', 201.567, 240.539, 271.481], ['B', ' O ', 202.569, 240.143, 270.881], ['B', ' CB ', 200.696, 239.249, 273.446], ['B', ' SG ', 202.189, 238.311, 273.818]]
[['B', ' N ', 201.341, 241.812, 271.761], ['B', ' CA ', 202.331, 242.848, 271.504], ['B', ' C ', 203.231, 242.968, 272.722], ['B', ' O ', 202.766, 242.907, 273.866], ['B', ' CB ', 201.654, 244.189, 271.167], ['B', ' CG1', 200.952, 244.1, 269.828], ['B', ' CG2', 200.665, 244.569, 272.251]]
[['B', ' N ', 204.529, 243.123, 272.482], ['B', ' CA ', 205.525, 243.155, 273.541], ['B', ' C ', 206.262, 244.483, 273.504], ['B', ' O ', 206.659, 244.945, 272.431], ['B', ' CB ', 206.516, 241.999, 273.4]]
[['B', ' N ', 206.449, 245.085, 274.673], ['B', ' CA ', 207.16, 246.352, 274.807], ['B', ' C ', 208.487, 246.076, 275.506], ['B', ' O ', 208.56, 246.02, 276.734], ['B', ' CB ', 206.332, 247.376, 275.573], ['B', ' CG ', 206.867, 248.784, 275.417], ['B', ' OD1', 207.857, 248.961, 274.677], ['B', ' OD2', 206.305, 249.711, 276.035]]
[['B', ' N ', 209.541, 245.909, 274.712], ['B', ' CA ', 210.871, 245.73, 275.272], ['B', ' C ', 211.452, 247.024, 275.82], ['B', ' O ', 212.511, 246.983, 276.458], ['B', ' CB ', 211.812, 245.157, 274.215], ['B', ' CG ', 211.295, 243.908, 273.552], ['B', ' CD1', 210.989, 242.783, 274.298], ['B', ' CD2', 211.118, 243.852, 272.181], ['B', ' CE1', 210.518, 241.638, 273.697], ['B', ' CE2', 210.648, 242.712, 271.572], ['B', ' CZ ', 210.35, 241.608, 272.334], ['B', ' OH ', 209.879, 240.467, 271.732]]
[['B', ' N ', 210.793, 248.162, 275.579], ['B', ' CA ', 211.342, 249.445, 276.005], ['B', ' C ', 211.519, 249.497, 277.514], ['B', ' O ', 212.542, 249.983, 278.009], ['B', ' CB ', 210.444, 250.586, 275.529], ['B', ' OG ', 210.947, 251.841, 275.955]]
[['B', ' N ', 210.536, 248.998, 278.265], ['B', ' CA ', 210.677, 248.964, 279.715], ['B', ' C ', 211.772, 247.986, 280.125], ['B', ' O ', 212.437, 248.183, 281.149], ['B', ' CB ', 209.324, 248.632, 280.373], ['B', ' CG1', 208.856, 247.24, 279.984], ['B', ' CG2', 209.414, 248.772, 281.883]]
[['B', ' N ', 211.996, 246.934, 279.335], ['B', ' CA ', 212.982, 245.928, 279.716], ['B', ' C ', 214.406, 246.439, 279.526], ['B', ' O ', 215.269, 246.219, 280.383], ['B', ' CB ', 212.756, 244.637, 278.93], ['B', ' CG ', 211.982, 243.546, 279.682], ['B', ' CD1', 210.668, 244.074, 280.232], ['B', ' CD2', 211.738, 242.329, 278.8]]
[['B', ' N ', 214.679, 247.125, 278.416], ['B', ' CA ', 216.046, 247.592, 278.208], ['B', ' C ', 216.325, 248.949, 278.842], ['B', ' O ', 217.487, 249.369, 278.869], ['B', ' CB ', 216.399, 247.639, 276.714], ['B', ' CG ', 215.591, 248.588, 275.847], ['B', ' CD1', 215.692, 249.968, 275.99], ['B', ' CD2', 214.767, 248.098, 274.843], ['B', ' CE1', 214.964, 250.826, 275.187], ['B', ' CE2', 214.041, 248.946, 274.033], ['B', ' CZ ', 214.142, 250.308, 274.208], ['B', ' OH ', 213.415, 251.152, 273.4]]
[['B', ' N ', 215.306, 249.644, 279.342], ['B', ' CA ', 215.498, 250.916, 280.024], ['B', ' C ', 215.593, 250.76, 281.536], ['B', ' O ', 215.705, 251.763, 282.247], ['B', ' CB ', 214.373, 251.888, 279.666], ['B', ' CG ', 214.465, 252.38, 278.235], ['B', ' ND2', 213.321, 252.475, 277.567], ['B', ' OD1', 215.552, 252.67, 277.735]]
[['B', ' N ', 215.547, 249.53, 282.039], ['B', ' CA ', 215.739, 249.242, 283.454], ['B', ' C ', 217.137, 248.669, 283.637], ['B', ' O ', 217.455, 247.611, 283.082], ['B', ' CB ', 214.679, 248.268, 283.966], ['B', ' OG ', 213.379, 248.808, 283.801]]
[['B', ' N ', 217.965, 249.362, 284.419], ['B', ' CA ', 219.378, 249.035, 284.554], ['B', ' C ', 219.646, 248.048, 285.684], ['B', ' O ', 220.755, 248.011, 286.227], ['B', ' CB ', 220.197, 250.309, 284.757]]
[['B', ' N ', 218.654, 247.242, 286.048], ['B', ' CA ', 218.838, 246.212, 287.059], ['B', ' C ', 219.389, 244.916, 286.482], ['B', ' O ', 219.627, 243.97, 287.238], ['B', ' CB ', 217.514, 245.938, 287.779], ['B', ' OG ', 216.456, 245.774, 286.854]]
[['B', ' N ', 219.598, 244.853, 285.171], ['B', ' CA ', 220.137, 243.673, 284.51], ['B', ' C ', 221.632, 243.863, 284.294], ['B', ' O ', 222.067, 244.922, 283.831], ['B', ' CB ', 219.428, 243.425, 283.177], ['B', ' CG ', 217.97, 243.076, 283.318], ['B', ' CD1', 217.509, 242.398, 284.432], ['B', ' CD2', 217.062, 243.427, 282.337], ['B', ' CE1', 216.171, 242.08, 284.561], ['B', ' CE2', 215.726, 243.108, 282.464], ['B', ' CZ ', 215.281, 242.434, 283.575]]
[['B', ' N ', 222.415, 242.84, 284.635], ['B', ' CA ', 223.866, 242.955, 284.629], ['B', ' C ', 224.516, 242.517, 283.324], ['B', ' O ', 225.729, 242.689, 283.173], ['B', ' CB ', 224.463, 242.141, 285.78], ['B', ' OG ', 225.878, 242.179, 285.743]]
[['B', ' N ', 223.758, 241.956, 282.383], ['B', ' CA ', 224.338, 241.535, 281.108], ['B', ' C ', 223.226, 241.474, 280.07], ['B', ' O ', 222.354, 240.605, 280.153], ['B', ' CB ', 225.037, 240.186, 281.243], ['B', ' CG2', 225.586, 239.733, 279.898], ['B', ' OG1', 226.12, 240.296, 282.175]]
[['B', ' N ', 223.265, 242.385, 279.098], ['B', ' CA ', 222.28, 242.453, 278.019], ['B', ' C ', 223.048, 242.65, 276.716], ['B', ' O ', 223.209, 243.778, 276.245], ['B', ' CB ', 221.293, 243.582, 278.279], ['B', ' CG ', 220.001, 243.461, 277.526], ['B', ' CD1', 219.956, 243.654, 276.16], ['B', ' CD2', 218.825, 243.182, 278.195], ['B', ' CE1', 218.764, 243.562, 275.477], ['B', ' CE2', 217.632, 243.086, 277.512], ['B', ' CZ ', 217.603, 243.274, 276.152]]
[['B', ' N ', 223.503, 241.547, 276.126], ['B', ' CA ', 224.289, 241.559, 274.895], ['B', ' C ', 223.561, 240.696, 273.876], ['B', ' O ', 223.471, 239.475, 274.047], ['B', ' CB ', 225.704, 241.039, 275.14], ['B', ' CG ', 226.536, 241.893, 276.082], ['B', ' CD ', 226.889, 243.236, 275.466], ['B', ' CE ', 227.993, 243.087, 274.43], ['B', ' NZ ', 228.361, 244.391, 273.814]]
[['B', ' N ', 223.048, 241.318, 272.821], ['B', ' CA ', 222.206, 240.624, 271.862], ['B', ' C ', 222.97, 240.337, 270.581], ['B', ' O ', 223.695, 241.194, 270.071], ['B', ' CB ', 220.934, 241.416, 271.549], ['B', ' SG ', 219.771, 241.614, 272.941]]
[['B', ' N ', 222.798, 239.126, 270.066], ['B', ' CA ', 223.462, 238.686, 268.85], ['B', ' C ', 222.5, 238.827, 267.681], ['B', ' O ', 221.395, 238.276, 267.711], ['B', ' CB ', 223.938, 237.24, 268.989], ['B', ' CG ', 224.897, 237.041, 270.137], ['B', ' CD1', 226.133, 237.669, 270.148], ['B', ' CD2', 224.552, 236.256, 271.229], ['B', ' CE1', 227.01, 237.499, 271.2], ['B', ' CE2', 225.421, 236.084, 272.287], ['B', ' CZ ', 226.649, 236.707, 272.266], ['B', ' OH ', 227.523, 236.544, 273.313]]
[['B', ' N ', 222.913, 239.583, 266.669], ['B', ' CA ', 222.138, 239.723, 265.458], ['B', ' C ', 220.981, 240.692, 265.526], ['B', ' O ', 220.393, 240.993, 264.486]]
[['B', ' N ', 220.647, 241.22, 266.696], ['B', ' CA ', 219.515, 242.125, 266.834], ['B', ' C ', 219.947, 243.337, 267.645], ['B', ' O ', 220.73, 243.228, 268.592], ['B', ' CB ', 218.313, 241.416, 267.488], ['B', ' CG1', 217.222, 242.402, 267.811], ['B', ' CG2', 217.78, 240.344, 266.558]]
[['B', ' N ', 219.436, 244.503, 267.259], ['B', ' CA ', 219.725, 245.736, 267.98], ['B', ' C ', 218.7, 245.945, 269.083], ['B', ' O ', 217.506, 246.082, 268.783], ['B', ' CB ', 219.712, 246.921, 267.04], ['B', ' OG ', 220.74, 246.796, 266.081]]
[['B', ' N ', 219.109, 245.998, 270.352], ['B', ' CA ', 218.126, 246.202, 271.428], ['B', ' C ', 217.337, 247.491, 271.293], ['B', ' O ', 216.241, 247.596, 271.857], ['B', ' CB ', 218.991, 246.194, 272.697], ['B', ' CG ', 220.4, 246.375, 272.222], ['B', ' CD ', 220.456, 245.741, 270.88]]
[['B', ' N ', 217.861, 248.482, 270.572], ['B', ' CA ', 217.085, 249.686, 270.301], ['B', ' C ', 215.975, 249.41, 269.291], ['B', ' O ', 214.833, 249.846, 269.472], ['B', ' CB ', 218.003, 250.8, 269.796], ['B', ' CG2', 218.773, 251.426, 270.951], ['B', ' OG1', 218.93, 250.262, 268.845]]
[['B', ' N ', 216.294, 248.685, 268.217], ['B', ' CA ', 215.323, 248.399, 267.167], ['B', ' C ', 214.32, 247.325, 267.56], ['B', ' O ', 213.385, 247.072, 266.794], ['B', ' CB ', 216.042, 247.966, 265.89], ['B', ' CG ', 217.173, 248.88, 265.459], ['B', ' CD ', 216.734, 249.827, 264.366], ['B', ' CE ', 217.868, 250.747, 263.953], ['B', ' NZ ', 219.054, 249.991, 263.48]]
[['B', ' N ', 214.497, 246.683, 268.718], ['B', ' CA ', 213.605, 245.597, 269.117], ['B', ' C ', 212.166, 246.064, 269.259], ['B', ' O ', 211.24, 245.254, 269.157], ['B', ' CB ', 214.077, 244.983, 270.432], ['B', ' CG ', 214.833, 243.671, 270.292], ['B', ' CD1', 215.12, 243.081, 271.657], ['B', ' CD2', 214.023, 242.719, 269.446]]
[['B', ' N ', 211.952, 247.355, 269.496], ['B', ' CA ', 210.592, 247.857, 269.606], ['B', ' C ', 209.855, 247.801, 268.278], ['B', ' O ', 208.637, 247.993, 268.252], ['B', ' CB ', 210.605, 249.292, 270.127], ['B', ' CG ', 211.17, 249.4, 271.529], ['B', ' ND2', 210.466, 248.827, 272.498], ['B', ' OD1', 212.22, 250.003, 271.74]]
[['B', ' N ', 210.563, 247.547, 267.178], ['B', ' CA ', 210.001, 247.666, 265.838], ['B', ' C ', 209.672, 246.322, 265.202], ['B', ' O ', 208.582, 246.15, 264.651], ['B', ' CB ', 210.97, 248.431, 264.931], ['B', ' CG ', 210.8, 249.927, 265.032], ['B', ' OD1', 210.223, 250.394, 266.033], ['B', ' OD2', 211.235, 250.635, 264.104]]
[['B', ' N ', 210.598, 245.37, 265.257], ['B', ' CA ', 210.445, 244.131, 264.51], ['B', ' C ', 209.309, 243.281, 265.06], ['B', ' O ', 209.135, 243.156, 266.274], ['B', ' CB ', 211.74, 243.332, 264.546], ['B', ' CG ', 212.954, 243.973, 263.888], ['B', ' CD1', 213.959, 242.889, 263.584], ['B', ' CD2', 212.564, 244.729, 262.629]]
[['B', ' N ', 208.544, 242.685, 264.15], ['B', ' CA ', 207.5, 241.733, 264.495], ['B', ' C ', 208.01, 240.328, 264.206], ['B', ' O ', 208.562, 240.074, 263.131], ['B', ' CB ', 206.218, 242.015, 263.715], ['B', ' SG ', 204.776, 241.133, 264.342]]
[['B', ' N ', 207.819, 239.423, 265.164], ['B', ' CA ', 208.507, 238.14, 265.202], ['B', ' C ', 207.537, 236.993, 264.972], ['B', ' O ', 206.388, 237.04, 265.42], ['B', ' CB ', 209.2, 237.952, 266.547], ['B', ' CG ', 210.396, 238.819, 266.73], ['B', ' CD1', 211.502, 238.669, 265.922], ['B', ' CD2', 210.404, 239.803, 267.7], ['B', ' CE1', 212.603, 239.476, 266.087], ['B', ' CE2', 211.498, 240.613, 267.869], ['B', ' CZ ', 212.6, 240.451, 267.063]]
[['B', ' N ', 208.01, 235.956, 264.281], ['B', ' CA ', 207.162, 234.797, 264.023], ['B', ' C ', 206.945, 233.983, 265.292], ['B', ' O ', 205.805, 233.775, 265.723], ['B', ' CB ', 207.775, 233.925, 262.928], ['B', ' CG2', 206.752, 232.917, 262.422], ['B', ' OG1', 208.196, 234.75, 261.837]]
[['B', ' N ', 208.03, 233.514, 265.903], ['B', ' CA ', 207.962, 232.749, 267.139], ['B', ' C ', 208.983, 233.305, 268.112], ['B', ' O ', 210.129, 233.562, 267.735], ['B', ' CB ', 208.248, 231.27, 266.9], ['B', ' CG ', 207.606, 230.758, 265.644], ['B', ' ND2', 206.283, 230.816, 265.595], ['B', ' OD1', 208.288, 230.327, 264.715]]
[['B', ' N ', 208.573, 233.488, 269.361], ['B', ' CA ', 209.466, 233.968, 270.406], ['B', ' C ', 209.463, 232.958, 271.541], ['B', ' O ', 208.397, 232.566, 272.027], ['B', ' CB ', 209.056, 235.358, 270.919], ['B', ' CG1', 210.112, 235.899, 271.862], ['B', ' CG2', 208.848, 236.298, 269.761]]
[['B', ' N ', 210.648, 232.542, 271.963], ['B', ' CA ', 210.8, 231.594, 273.052], ['B', ' C ', 211.337, 232.308, 274.283], ['B', ' O ', 212.094, 233.275, 274.17], ['B', ' CB ', 211.742, 230.458, 272.662], ['B', ' CG ', 211.128, 229.433, 271.744], ['B', ' CD1', 209.77, 229.441, 271.47], ['B', ' CD2', 211.908, 228.457, 271.146], ['B', ' CE1', 209.21, 228.504, 270.629], ['B', ' CE2', 211.351, 227.514, 270.307], ['B', ' CZ ', 210.001, 227.544, 270.053], ['B', ' OH ', 209.44, 226.612, 269.217]]
[['B', ' N ', 210.938, 231.829, 275.455], ['B', ' CA ', 211.471, 232.303, 276.721], ['B', ' C ', 212.043, 231.123, 277.491], ['B', ' O ', 211.466, 230.032, 277.49], ['B', ' CB ', 210.395, 233.003, 277.549]]
[['B', ' N ', 213.18, 231.34, 278.142], ['B', ' CA ', 213.865, 230.298, 278.887], ['B', ' C ', 214.118, 230.777, 280.307], ['B', ' O ', 214.133, 231.98, 280.579], ['B', ' CB ', 215.184, 229.92, 278.218], ['B', ' CG ', 215.011, 229.58, 276.757], ['B', ' OD1', 213.91, 229.132, 276.383], ['B', ' OD2', 215.965, 229.762, 275.976]]
[['B', ' N ', 214.32, 229.827, 281.216], ['B', ' CA ', 214.483, 230.165, 282.626], ['B', ' C ', 215.355, 229.122, 283.305], ['B', ' O ', 215.026, 227.932, 283.281], ['B', ' CB ', 213.119, 230.262, 283.314], ['B', ' OG ', 212.499, 228.991, 283.395]]
[['B', ' N ', 216.459, 229.568, 283.903], ['B', ' CA ', 217.301, 228.696, 284.711], ['B', ' C ', 218.171, 229.55, 285.621], ['B', ' O ', 218.338, 230.753, 285.402], ['B', ' CB ', 218.17, 227.777, 283.85], ['B', ' CG ', 218.871, 228.478, 282.734], ['B', ' CD1', 220.023, 229.2, 282.968], ['B', ' CD2', 218.388, 228.398, 281.445], ['B', ' CE1', 220.673, 229.84, 281.94], ['B', ' CE2', 219.035, 229.033, 280.411], ['B', ' CZ ', 220.179, 229.755, 280.659]]
[['B', ' N ', 218.731, 228.907, 286.643], ['B', ' CA ', 219.575, 229.568, 287.632], ['B', ' C ', 220.895, 228.812, 287.702], ['B', ' O ', 220.936, 227.673, 288.184], ['B', ' CB ', 218.912, 229.623, 289.013], ['B', ' CG1', 219.873, 230.197, 290.039], ['B', ' CG2', 217.639, 230.44, 288.954]]
[['B', ' N ', 221.975, 229.447, 287.25], ['B', ' CA ', 223.3, 228.846, 287.259], ['B', ' C ', 224.258, 229.784, 287.982], ['B', ' O ', 223.908, 230.902, 288.359], ['B', ' CB ', 223.82, 228.541, 285.842], ['B', ' CG1', 224.138, 229.84, 285.105], ['B', ' CG2', 222.809, 227.726, 285.068], ['B', ' CD1', 224.969, 229.642, 283.861]]
[['B', ' N ', 225.484, 229.3, 288.177], ['B', ' CA ', 226.517, 230.111, 288.804], ['B', ' C ', 226.861, 231.307, 287.925], ['B', ' O ', 227.028, 231.182, 286.709], ['B', ' CB ', 227.763, 229.263, 289.073], ['B', ' CG ', 228.334, 228.579, 287.841], ['B', ' CD ', 229.438, 227.601, 288.208], ['B', ' NE ', 230.681, 228.278, 288.564], ['B', ' CZ ', 231.768, 227.659, 289.015], ['B', ' NH1', 231.768, 226.342, 289.165], ['B', ' NH2', 232.856, 228.355, 289.314]]
[['B', ' N ', 226.966, 232.475, 288.552], ['B', ' CA ', 227.168, 233.727, 287.854], ['B', ' C ', 228.599, 234.064, 287.504], ['B', ' O ', 228.845, 235.145, 286.955]]
[['B', ' N ', 229.551, 233.189, 287.805], ['B', ' CA ', 230.939, 233.402, 287.431], ['B', ' C ', 231.243, 232.918, 286.023], ['B', ' O ', 232.376, 233.077, 285.557], ['B', ' CB ', 231.866, 232.698, 288.424], ['B', ' CG ', 231.724, 231.192, 288.381], ['B', ' OD1', 230.674, 230.68, 288.822], ['B', ' OD2', 232.662, 230.517, 287.907]]
[['B', ' N ', 230.265, 232.332, 285.338], ['B', ' CA ', 230.461, 231.811, 283.993], ['B', ' C ', 229.303, 232.226, 283.096], ['B', ' O ', 228.76, 231.42, 282.333], ['B', ' CB ', 230.625, 230.292, 284.012], ['B', ' CG ', 231.52, 229.75, 282.911], ['B', ' CD ', 232.973, 230.148, 283.092], ['B', ' OE1', 233.382, 230.411, 284.243], ['B', ' OE2', 233.707, 230.195, 282.083]]
[['B', ' N ', 228.906, 233.498, 283.187], ['B', ' CA ', 227.868, 234.033, 282.311], ['B', ' C ', 228.285, 233.917, 280.854], ['B', ' O ', 227.458, 233.621, 279.982], ['B', ' CB ', 227.554, 235.492, 282.696], ['B', ' CG1', 226.604, 236.122, 281.698], ['B', ' CG2', 226.958, 235.55, 284.089]]
[['B', ' N ', 229.572, 234.124, 280.57], ['B', ' CA ', 230.075, 234.058, 279.203], ['B', ' C ', 229.836, 232.697, 278.562], ['B', ' O ', 229.791, 232.603, 277.331], ['B', ' CB ', 231.568, 234.397, 279.201], ['B', ' CG ', 232.277, 234.216, 277.872], ['B', ' CD ', 233.786, 234.251, 278.051], ['B', ' NE ', 234.213, 233.565, 279.269], ['B', ' CZ ', 234.199, 232.246, 279.437], ['B', ' NH1', 233.783, 231.45, 278.461], ['B', ' NH2', 234.607, 231.721, 280.583]]
[['B', ' N ', 229.643, 231.648, 279.365], ['B', ' CA ', 229.49, 230.303, 278.825], ['B', ' C ', 228.223, 230.131, 277.992], ['B', ' O ', 228.108, 229.129, 277.279], ['B', ' CB ', 229.515, 229.281, 279.964], ['B', ' CG ', 230.003, 227.901, 279.545], ['B', ' CD ', 230.144, 226.949, 280.715], ['B', ' NE2', 230.676, 225.762, 280.451], ['B', ' OE1', 229.774, 227.273, 281.842]]
[['B', ' N ', 227.281, 231.065, 278.055], ['B', ' CA ', 226.102, 231.042, 277.192], ['B', ' C ', 226.415, 231.954, 276.011], ['B', ' O ', 226.134, 233.153, 276.025], ['B', ' CB ', 224.84, 231.473, 277.932], ['B', ' CG1', 224.77, 230.799, 279.302], ['B', ' CG2', 223.61, 231.142, 277.104], ['B', ' CD1', 223.448, 230.997, 280.007]]
[['B', ' N ', 227.003, 231.378, 274.973], ['B', ' CA ', 227.374, 232.091, 273.763], ['B', ' C ', 227.072, 231.2, 272.571], ['B', ' O ', 227.019, 229.973, 272.707], ['B', ' CB ', 228.857, 232.484, 273.776]]
[['B', ' N ', 226.872, 231.784, 271.385], ['B', ' CA ', 226.466, 230.966, 270.229], ['B', ' C ', 227.467, 229.885, 269.862], ['B', ' O ', 227.085, 228.905, 269.21], ['B', ' CB ', 226.314, 231.998, 269.101], ['B', ' CG ', 227.027, 233.217, 269.581], ['B', ' CD ', 226.884, 233.218, 271.06]]
[['B', ' N ', 228.73, 230.029, 270.254], ['B', ' CA ', 229.694, 228.956, 270.114], ['B', ' C ', 230.722, 228.999, 271.223], ['B', ' O ', 231.394, 230.016, 271.416]]
[['B', ' N ', 230.865, 227.895, 271.951], ['B', ' CA ', 231.744, 227.845, 273.109], ['B', ' C ', 232.229, 226.415, 273.299], ['B', ' O ', 231.849, 225.503, 272.558], ['B', ' CB ', 231.035, 228.352, 274.369], ['B', ' CG ', 231.137, 229.847, 274.59], ['B', ' CD ', 232.561, 230.35, 274.502], ['B', ' NE2', 233.389, 229.956, 275.461], ['B', ' OE1', 232.914, 231.086, 273.582]]
[['B', ' N ', 233.077, 226.226, 274.309], ['B', ' CA ', 233.601, 224.91, 274.674], ['B', ' C ', 233.69, 224.865, 276.195], ['B', ' O ', 234.639, 225.394, 276.782], ['B', ' CB ', 234.959, 224.649, 274.034], ['B', ' CG2', 234.805, 224.282, 272.565], ['B', ' OG1', 235.774, 225.822, 274.148]]
[['B', ' N ', 232.702, 224.24, 276.828], ['B', ' CA ', 232.685, 224.138, 278.275], ['B', ' C ', 231.806, 222.992, 278.719], ['B', ' O ', 231.056, 222.41, 277.932]]
[['B', ' N ', 231.915, 222.67, 280.011], ['B', ' CA ', 231.135, 221.567, 280.566], ['B', ' C ', 229.64, 221.837, 280.455], ['B', ' O ', 228.864, 220.942, 280.097], ['B', ' CB ', 231.534, 221.323, 282.021], ['B', ' CG ', 232.502, 220.169, 282.205], ['B', ' CD ', 231.752, 218.86, 282.38], ['B', ' CE ', 232.688, 217.668, 282.301], ['B', ' NZ ', 232.0, 216.408, 282.69]]
[['B', ' N ', 229.216, 223.063, 280.765], ['B', ' CA ', 227.829, 223.442, 280.524], ['B', ' C ', 227.532, 223.403, 279.034], ['B', ' O ', 226.465, 222.946, 278.607], ['B', ' CB ', 227.539, 224.828, 281.126], ['B', ' CG1', 227.872, 224.838, 282.618], ['B', ' CG2', 226.09, 225.212, 280.898], ['B', ' CD1', 227.222, 223.717, 283.395]]
[['B', ' N ', 228.476, 223.876, 278.218], ['B', ' CA ', 228.327, 223.805, 276.772], ['B', ' C ', 228.376, 222.376, 276.252], ['B', ' O ', 227.995, 222.136, 275.101], ['B', ' CB ', 229.41, 224.642, 276.091]]
[['B', ' N ', 228.834, 221.425, 277.063], ['B', ' CA ', 228.94, 220.035, 276.637], ['B', ' C ', 227.744, 219.187, 277.044], ['B', ' O ', 227.246, 218.403, 276.231], ['B', ' CB ', 230.218, 219.404, 277.199], ['B', ' CG ', 231.445, 219.75, 276.382], ['B', ' OD1', 231.31, 219.931, 275.155], ['B', ' OD2', 232.544, 219.84, 276.966]]
[['B', ' N ', 227.264, 219.324, 278.282], ['B', ' CA ', 226.228, 218.433, 278.787], ['B', ' C ', 225.058, 219.155, 279.447], ['B', ' O ', 224.202, 218.491, 280.043], ['B', ' CB ', 226.821, 217.429, 279.785], ['B', ' CG ', 228.043, 216.686, 279.291], ['B', ' CD1', 227.984, 215.895, 278.152], ['B', ' CD2', 229.247, 216.755, 279.979], ['B', ' CE1', 229.094, 215.205, 277.703], ['B', ' CE2', 230.362, 216.068, 279.538], ['B', ' CZ ', 230.279, 215.295, 278.4], ['B', ' OH ', 231.384, 214.61, 277.954]]
[['B', ' N ', 224.984, 220.481, 279.366], ['B', ' CA ', 223.946, 221.172, 280.122], ['B', ' C ', 223.126, 222.14, 279.278], ['B', ' O ', 221.932, 222.321, 279.537], ['B', ' CB ', 224.573, 221.902, 281.308], ['B', ' CG ', 225.358, 220.97, 282.211], ['B', ' ND2', 226.608, 220.708, 281.848], ['B', ' OD1', 224.844, 220.483, 283.217]]
[['B', ' N ', 223.739, 222.759, 278.271], ['B', ' CA ', 223.018, 223.715, 277.44], ['B', ' C ', 223.87, 224.037, 276.223], ['B', ' O ', 225.096, 223.906, 276.264], ['B', ' CB ', 222.693, 224.995, 278.22], ['B', ' CG ', 221.808, 225.964, 277.48], ['B', ' CD1', 220.442, 225.745, 277.386], ['B', ' CD2', 222.332, 227.097, 276.881], ['B', ' CE1', 219.623, 226.625, 276.716], ['B', ' CE2', 221.52, 227.983, 276.207], ['B', ' CZ ', 220.167, 227.742, 276.128], ['B', ' OH ', 219.353, 228.622, 275.454]]
[['B', ' N ', 223.213, 224.458, 275.143], ['B', ' CA ', 223.93, 224.795, 273.921], ['B', ' C ', 223.045, 225.673, 273.049], ['B', ' O ', 221.836, 225.772, 273.262], ['B', ' CB ', 224.369, 223.535, 273.168], ['B', ' CG ', 225.526, 223.759, 272.208], ['B', ' CD ', 226.78, 224.189, 272.948], ['B', ' CE ', 227.954, 224.317, 271.999], ['B', ' NZ ', 229.152, 224.875, 272.678]]
[['B', ' N ', 223.671, 226.31, 272.064], ['B', ' CA ', 223.029, 227.262, 271.175], ['B', ' C ', 223.32, 226.917, 269.723], ['B', ' O ', 224.365, 226.337, 269.415], ['B', ' CB ', 223.512, 228.687, 271.463], ['B', ' CG ', 222.829, 229.345, 272.653], ['B', ' CD1', 223.231, 230.798, 272.756], ['B', ' CD2', 221.328, 229.21, 272.528]]
[['B', ' N ', 222.414, 227.272, 268.805], ['B', ' CA ', 222.639, 226.968, 267.385], ['B', ' C ', 223.606, 227.928, 266.707], ['B', ' O ', 224.25, 228.748, 267.369], ['B', ' CB ', 221.235, 227.059, 266.776], ['B', ' CG ', 220.448, 227.898, 267.705], ['B', ' CD ', 221.113, 227.915, 269.046]]
[['B', ' N ', 223.718, 227.812, 265.38], ['B', ' CA ', 224.74, 228.538, 264.629], ['B', ' C ', 224.598, 230.047, 264.794], ['B', ' O ', 225.473, 230.709, 265.362], ['B', ' CB ', 224.665, 228.153, 263.15], ['B', ' CG ', 225.86, 228.646, 262.354], ['B', ' OD1', 226.793, 229.212, 262.961], ['B', ' OD2', 225.864, 228.473, 261.117]]
[['B', ' N ', 223.501, 230.614, 264.297], ['B', ' CA ', 223.336, 232.061, 264.295], ['B', ' C ', 222.651, 232.588, 265.545], ['B', ' O ', 223.091, 233.598, 266.099], ['B', ' CB ', 222.549, 232.505, 263.061], ['B', ' CG ', 222.774, 233.968, 262.724], ['B', ' OD1', 222.316, 234.838, 263.494], ['B', ' OD2', 223.419, 234.245, 261.69]]
[['B', ' N ', 221.584, 231.931, 265.995], ['B', ' CA ', 220.878, 232.294, 267.223], ['B', ' C ', 220.482, 233.775, 267.211], ['B', ' O ', 220.982, 234.606, 267.966], ['B', ' CB ', 221.722, 231.93, 268.449], ['B', ' CG ', 221.249, 232.559, 269.724], ['B', ' CD1', 219.942, 232.418, 270.14], ['B', ' CD2', 222.116, 233.312, 270.497], ['B', ' CE1', 219.514, 233.009, 271.31], ['B', ' CE2', 221.693, 233.902, 271.667], ['B', ' CZ ', 220.391, 233.75, 272.074]]
[['B', ' N ', 219.587, 234.096, 266.287], ['B', ' CA ', 218.96, 235.41, 266.302], ['B', ' C ', 218.055, 235.499, 267.525], ['B', ' O ', 217.123, 234.705, 267.682], ['B', ' CB ', 218.2, 235.655, 265.001], ['B', ' CG2', 217.254, 234.502, 264.672], ['B', ' OG1', 217.481, 236.892, 265.084]]
[['B', ' N ', 218.348, 236.444, 268.41], ['B', ' CA ', 217.719, 236.494, 269.716], ['B', ' C ', 218.801, 236.623, 270.761], ['B', ' O ', 219.978, 236.514, 270.409]]
[['B', ' N ', 218.465, 236.836, 272.031], ['B', ' CA ', 219.531, 237.149, 272.972], ['B', ' C ', 219.143, 236.816, 274.405], ['B', ' O ', 218.084, 236.247, 274.682], ['B', ' CB ', 219.949, 238.607, 272.838], ['B', ' SG ', 218.724, 239.874, 273.125]]
[['B', ' N ', 220.039, 237.205, 275.317], ['B', ' CA ', 220.14, 236.667, 276.665], ['B', ' C ', 220.343, 237.811, 277.647], ['B', ' O ', 221.015, 238.801, 277.346], ['B', ' CB ', 221.299, 235.653, 276.758], ['B', ' CG1', 222.619, 236.326, 276.425], ['B', ' CG2', 221.361, 235.035, 278.128]]
[['B', ' N ', 219.747, 237.677, 278.826], ['B', ' CA ', 219.842, 238.683, 279.874], ['B', ' C ', 220.265, 238.0, 281.165], ['B', ' O ', 219.77, 236.916, 281.492], ['B', ' CB ', 218.505, 239.42, 280.077], ['B', ' CG1', 217.893, 239.813, 278.734], ['B', ' CG2', 218.71, 240.646, 280.94], ['B', ' CD1', 216.399, 240.056, 278.799]]
[['B', ' N ', 221.174, 238.635, 281.904], ['B', ' CA ', 221.66, 238.103, 283.171], ['B', ' C ', 221.605, 239.183, 284.24], ['B', ' O ', 222.04, 240.314, 284.006], ['B', ' CB ', 223.09, 237.573, 283.038]]
[['B', ' N ', 221.074, 238.831, 285.411], ['B', ' CA ', 221.055, 239.731, 286.555], ['B', ' C ', 221.368, 238.942, 287.819], ['B', ' O ', 221.09, 237.742, 287.904], ['B', ' CB ', 219.704, 240.452, 286.688], ['B', ' CG ', 218.592, 239.608, 287.229], ['B', ' CD1', 218.314, 239.364, 288.541], ['B', ' CD2', 217.59, 238.92, 286.475], ['B', ' CE2', 216.746, 238.27, 287.396], ['B', ' CE3', 217.326, 238.787, 285.111], ['B', ' NE1', 217.211, 238.556, 288.651], ['B', ' CZ2', 215.659, 237.5, 286.997], ['B', ' CZ3', 216.243, 238.018, 284.715], ['B', ' CH2', 215.424, 237.386, 285.655]]
[['B', ' N ', 221.95, 239.629, 288.8], ['B', ' CA ', 222.353, 238.978, 290.04], ['B', ' C ', 221.142, 238.589, 290.878], ['B', ' O ', 220.175, 239.347, 290.996], ['B', ' CB ', 223.272, 239.89, 290.847], ['B', ' CG ', 223.743, 239.246, 292.131], ['B', ' ND2', 223.8, 240.029, 293.2], ['B', ' OD1', 224.055, 238.056, 292.163]]
[['B', ' N ', 221.21, 237.4, 291.479], ['B', ' CA ', 220.093, 236.84, 292.225], ['B', ' C ', 220.441, 236.437, 293.651], ['B', ' O ', 219.629, 235.767, 294.3], ['B', ' CB ', 219.525, 235.621, 291.489], ['B', ' OG ', 218.327, 235.172, 292.098]]
[['B', ' N ', 221.612, 236.815, 294.16], ['B', ' CA ', 222.008, 236.458, 295.522], ['B', ' C ', 221.402, 237.436, 296.531], ['B', ' O ', 222.085, 238.046, 297.354], ['B', ' CB ', 223.524, 236.414, 295.638], ['B', ' CG ', 223.99, 235.643, 296.852], ['B', ' ND2', 224.526, 236.356, 297.834], ['B', ' OD1', 223.864, 234.421, 296.911]]
[['B', ' N ', 220.082, 237.578, 296.446], ['B', ' CA ', 219.342, 238.436, 297.36], ['B', ' C ', 218.072, 237.801, 297.899], ['B', ' O ', 217.524, 238.315, 298.878], ['B', ' CB ', 218.985, 239.76, 296.671], ['B', ' CG ', 218.449, 239.557, 295.269], ['B', ' ND2', 218.133, 240.654, 294.589], ['B', ' OD1', 218.322, 238.426, 294.8]]
[['B', ' N ', 217.59, 236.721, 297.313], ['B', ' CA ', 216.384, 236.048, 297.778], ['B', ' C ', 216.592, 234.561, 298.015], ['B', ' O ', 215.975, 233.997, 298.922], ['B', ' CB ', 215.245, 236.265, 296.766], ['B', ' CG ', 213.963, 235.452, 296.955], ['B', ' CD1', 213.291, 235.806, 298.272], ['B', ' CD2', 213.013, 235.669, 295.79]]
[['B', ' N ', 217.454, 233.913, 297.233], ['B', ' CA ', 217.645, 232.471, 297.306], ['B', ' C ', 219.061, 232.093, 297.731], ['B', ' O ', 219.6, 231.082, 297.277], ['B', ' CB ', 217.304, 231.824, 295.965], ['B', ' CG ', 215.907, 232.168, 295.494], ['B', ' OD1', 215.043, 232.444, 296.353], ['B', ' OD2', 215.672, 232.164, 294.268]]
[['B', ' N ', 219.68, 232.901, 298.594], ['B', ' CA ', 220.992, 232.54, 299.124], ['B', ' C ', 220.907, 231.278, 299.976], ['B', ' O ', 221.731, 230.366, 299.835], ['B', ' CB ', 221.572, 233.702, 299.932], ['B', ' OG ', 222.91, 233.439, 300.315]]
[['B', ' N ', 219.903, 231.203, 300.851], ['B', ' CA ', 219.649, 230.044, 301.708], ['B', ' C ', 220.916, 229.636, 302.467], ['B', ' O ', 221.511, 228.583, 302.238], ['B', ' CB ', 219.083, 228.877, 300.893], ['B', ' CG ', 218.14, 227.98, 301.682], ['B', ' CD ', 218.858, 226.762, 302.237], ['B', ' CE ', 217.896, 225.835, 302.959], ['B', ' NZ ', 218.59, 224.64, 303.509]]
[['B', ' N ', 221.322, 230.537, 303.366], ['B', ' CA ', 222.55, 230.349, 304.128], ['B', ' C ', 222.519, 229.018, 304.867], ['B', ' O ', 221.481, 228.593, 305.387], ['B', ' CB ', 222.75, 231.526, 305.099], ['B', ' CG1', 222.966, 232.814, 304.325], ['B', ' CG2', 221.551, 231.662, 306.028]]
[['B', ' N ', 223.67, 228.348, 304.904], ['B', ' CA ', 223.788, 227.077, 305.593], ['B', ' C ', 223.144, 225.918, 304.861], ['B', ' O ', 222.156, 225.351, 305.338]]
[['B', ' N ', 223.692, 225.552, 303.704], ['B', ' CA ', 223.11, 224.489, 302.907], ['B', ' C ', 222.846, 224.895, 301.472], ['B', ' O ', 223.785, 225.109, 300.699]]
[['B', ' N ', 221.565, 224.98, 301.107], ['B', ' CA ', 221.133, 225.421, 299.779], ['B', ' C ', 221.577, 224.434, 298.697], ['B', ' O ', 222.245, 224.793, 297.725], ['B', ' CB ', 221.639, 226.837, 299.483], ['B', ' CG ', 220.974, 227.458, 298.273], ['B', ' ND2', 221.343, 228.696, 297.968], ['B', ' OD1', 220.134, 226.837, 297.623]]
[['B', ' N ', 221.202, 223.173, 298.88], ['B', ' CA ', 221.41, 222.139, 297.866], ['B', ' C ', 220.127, 221.908, 297.069], ['B', ' O ', 219.539, 220.827, 297.075], ['B', ' CB ', 221.893, 220.847, 298.519], ['B', ' CG ', 223.372, 220.817, 298.829], ['B', ' CD1', 224.292, 220.414, 297.872], ['B', ' CD2', 223.847, 221.186, 300.08], ['B', ' CE1', 225.645, 220.379, 298.15], ['B', ' CE2', 225.199, 221.157, 300.368], ['B', ' CZ ', 226.093, 220.753, 299.399], ['B', ' OH ', 227.439, 220.724, 299.683]]
[['B', ' N ', 219.69, 222.956, 296.372], ['B', ' CA ', 218.496, 222.895, 295.539], ['B', ' C ', 218.811, 223.04, 294.057], ['B', ' O ', 217.888, 223.169, 293.247], ['B', ' CB ', 217.496, 223.971, 295.965], ['B', ' CG ', 216.89, 223.695, 297.323], ['B', ' ND2', 217.135, 224.589, 298.273], ['B', ' OD1', 216.208, 222.69, 297.517]]
[['B', ' N ', 220.087, 223.026, 293.682], ['B', ' CA ', 220.486, 223.272, 292.305], ['B', ' C ', 221.643, 222.358, 291.938], ['B', ' O ', 222.636, 222.286, 292.666], ['B', ' CB ', 220.868, 224.743, 292.109], ['B', ' CG ', 219.851, 225.699, 292.695], ['B', ' CD1', 218.691, 226.019, 292.006], ['B', ' CD2', 220.039, 226.258, 293.951], ['B', ' CE1', 217.755, 226.884, 292.542], ['B', ' CE2', 219.11, 227.123, 294.495], ['B', ' CZ ', 217.97, 227.432, 293.787], ['B', ' OH ', 217.043, 228.293, 294.327]]
[['B', ' N ', 221.51, 221.662, 290.812], ['B', ' CA ', 222.48, 220.664, 290.389], ['B', ' C ', 222.771, 220.826, 288.904], ['B', ' O ', 221.957, 221.355, 288.144], ['B', ' CB ', 221.976, 219.24, 290.672], ['B', ' CG ', 221.429, 218.948, 292.072], ['B', ' CD1', 219.918, 219.13, 292.117], ['B', ' CD2', 221.812, 217.548, 292.523]]
[['B', ' N ', 223.951, 220.363, 288.494], ['B', ' CA ', 224.328, 220.336, 287.089], ['B', ' C ', 224.922, 218.977, 286.748], ['B', ' O ', 225.482, 218.291, 287.606], ['B', ' CB ', 225.317, 221.458, 286.736], ['B', ' CG ', 226.666, 221.358, 287.403], ['B', ' CD1', 226.872, 221.871, 288.674], ['B', ' CD2', 227.741, 220.77, 286.752], ['B', ' CE1', 228.106, 221.791, 289.284], ['B', ' CE2', 228.98, 220.685, 287.355], ['B', ' CZ ', 229.156, 221.197, 288.621], ['B', ' OH ', 230.388, 221.114, 289.227]]
[['B', ' N ', 224.79, 218.596, 285.48], ['B', ' CA ', 225.16, 217.258, 285.045], ['B', ' C ', 226.671, 217.117, 284.916], ['B', ' O ', 227.358, 218.019, 284.429], ['B', ' CB ', 224.488, 216.928, 283.712], ['B', ' CG ', 224.791, 215.533, 283.195], ['B', ' CD ', 224.197, 215.311, 281.815], ['B', ' NE ', 222.739, 215.393, 281.83], ['B', ' CZ ', 221.94, 214.417, 282.25], ['B', ' NH1', 222.455, 213.278, 282.69], ['B', ' NH2', 220.624, 214.58, 282.228]]
[['B', ' N ', 227.18, 215.973, 285.361], ['B', ' CA ', 228.595, 215.64, 285.286], ['B', ' C ', 228.862, 214.882, 283.983], ['B', ' O ', 228.055, 214.931, 283.051], ['B', ' CB ', 229.008, 214.855, 286.535], ['B', ' CG ', 230.447, 215.045, 287.015], ['B', ' CD1', 230.73, 216.514, 287.281], ['B', ' CD2', 230.708, 214.209, 288.258]]
[['B', ' N ', 230.014, 214.214, 283.899], ['B', ' CA ', 230.437, 213.449, 282.729], ['B', ' C ', 229.288, 212.677, 282.093], ['B', ' O ', 228.529, 211.988, 282.779], ['B', ' CB ', 231.545, 212.472, 283.133], ['B', ' CG ', 232.915, 213.085, 283.183], ['B', ' CD1', 233.522, 213.559, 282.032], ['B', ' CD2', 233.601, 213.179, 284.383], ['B', ' CE1', 234.786, 214.119, 282.077], ['B', ' CE2', 234.864, 213.738, 284.435], ['B', ' CZ ', 235.457, 214.209, 283.28]]
[['B', ' N ', 229.165, 212.804, 280.772], ['B', ' CA ', 228.187, 212.056, 279.995], ['B', ' C ', 228.873, 211.505, 278.753], ['B', ' O ', 229.924, 211.994, 278.334], ['B', ' CB ', 226.98, 212.924, 279.607], ['B', ' CG ', 225.727, 212.134, 279.252], ['B', ' CD ', 224.548, 213.052, 278.961], ['B', ' NE ', 224.695, 213.755, 277.689], ['B', ' CZ ', 224.187, 213.33, 276.536], ['B', ' NH1', 223.491, 212.203, 276.491], ['B', ' NH2', 224.372, 214.035, 275.429]]
[['B', ' N ', 228.263, 210.469, 278.169], ['B', ' CA ', 228.88, 209.766, 277.047], ['B', ' C ', 229.114, 210.7, 275.865], ['B', ' O ', 230.257, 210.943, 275.462], ['B', ' CB ', 228.007, 208.582, 276.627], ['B', ' CG ', 227.797, 207.54, 277.711], ['B', ' CD ', 226.535, 206.735, 277.459], ['B', ' CE ', 226.716, 205.794, 276.28], ['B', ' NZ ', 226.235, 204.42, 276.588]]
[['B', ' N ', 228.04, 211.231, 275.294], ['B', ' CA ', 228.121, 212.116, 274.144], ['B', ' C ', 227.753, 213.537, 274.546], ['B', ' O ', 227.118, 213.773, 275.577], ['B', ' CB ', 227.203, 211.634, 273.015], ['B', ' OG ', 227.612, 210.366, 272.534]]
[['B', ' N ', 228.159, 214.487, 273.71], ['B', ' CA ', 227.868, 215.893, 273.95], ['B', ' C ', 226.394, 216.163, 273.647], ['B', ' O ', 225.614, 215.25, 273.363], ['B', ' CB ', 228.809, 216.77, 273.129], ['B', ' CG ', 228.858, 216.364, 271.672], ['B', ' ND2', 229.723, 217.017, 270.906], ['B', ' OD1', 228.13, 215.472, 271.239]]
[['B', ' N ', 225.991, 217.427, 273.708], ['B', ' CA ', 224.595, 217.807, 273.558], ['B', ' C ', 224.364, 218.5, 272.221], ['B', ' O ', 225.294, 218.766, 271.456], ['B', ' CB ', 224.155, 218.712, 274.714], ['B', ' CG ', 223.555, 217.982, 275.916], ['B', ' CD1', 222.845, 218.96, 276.836], ['B', ' CD2', 222.608, 216.885, 275.458]]
[['B', ' N ', 223.1, 218.789, 271.952], ['B', ' CA ', 222.641, 219.382, 270.708], ['B', ' C ', 221.762, 220.584, 271.011], ['B', ' O ', 221.259, 220.726, 272.131], ['B', ' CB ', 221.866, 218.358, 269.864], ['B', ' CG ', 222.629, 217.072, 269.609], ['B', ' CD ', 221.937, 216.209, 268.572], ['B', ' CE ', 222.922, 215.256, 267.92], ['B', ' NZ ', 224.193, 215.945, 267.564]]
[['B', ' N ', 221.582, 221.491, 270.033], ['B', ' CA ', 220.766, 222.695, 270.257], ['B', ' C ', 219.438, 222.454, 270.959], ['B', ' O ', 218.561, 221.757, 270.44], ['B', ' CB ', 220.534, 223.221, 268.836], ['B', ' CG ', 221.682, 222.691, 268.024], ['B', ' CD ', 222.364, 221.587, 268.788]]
[['B', ' N ', 219.296, 223.044, 272.147], ['B', ' CA ', 218.045, 223.037, 272.905], ['B', ' C ', 217.549, 221.619, 273.178], ['B', ' O ', 216.35, 221.341, 273.127], ['B', ' CB ', 216.968, 223.853, 272.191], ['B', ' CG ', 217.36, 225.275, 271.924], ['B', ' CD1', 217.443, 226.188, 272.957], ['B', ' CD2', 217.632, 225.7, 270.64], ['B', ' CE1', 217.795, 227.494, 272.715], ['B', ' CE2', 217.985, 227.005, 270.394], ['B', ' CZ ', 218.067, 227.903, 271.433]]
[['B', ' N ', 218.473, 220.714, 273.476], ['B', ' CA ', 218.105, 219.356, 273.837], ['B', ' C ', 218.053, 219.207, 275.351], ['B', ' O ', 218.915, 219.709, 276.076], ['B', ' CB ', 219.088, 218.346, 273.246], ['B', ' CG ', 218.615, 216.897, 273.3], ['B', ' CD ', 217.223, 216.698, 272.727], ['B', ' OE1', 217.119, 216.293, 271.551], ['B', ' OE2', 216.233, 216.919, 273.455]]
[['B', ' N ', 217.024, 218.509, 275.823], ['B', ' CA ', 216.796, 218.304, 277.248], ['B', ' C ', 216.823, 216.814, 277.543], ['B', ' O ', 216.122, 216.038, 276.886], ['B', ' CB ', 215.46, 218.906, 277.686], ['B', ' CG ', 215.221, 218.847, 279.181], ['B', ' CD ', 214.163, 219.844, 279.599], ['B', ' NE ', 213.974, 219.861, 281.046], ['B', ' CZ ', 212.894, 219.393, 281.663], ['B', ' NH1', 211.899, 218.873, 280.959], ['B', ' NH2', 212.807, 219.45, 282.984]]
[['B', ' N ', 217.625, 216.417, 278.525], ['B', ' CA ', 217.694, 215.033, 278.971], ['B', ' C ', 217.556, 214.987, 280.485], ['B', ' O ', 218.263, 215.705, 281.199], ['B', ' CB ', 219.005, 214.375, 278.538], ['B', ' CG ', 219.255, 213.06, 279.247], ['B', ' OD1', 218.405, 212.151, 279.134], ['B', ' OD2', 220.299, 212.935, 279.92]]
[['B', ' N ', 216.649, 214.142, 280.966], ['B', ' CA ', 216.404, 213.972, 282.391], ['B', ' C ', 216.74, 212.546, 282.833], ['B', ' O ', 216.757, 212.243, 284.021], ['B', ' CB ', 214.951, 214.354, 282.74], ['B', ' CG1', 214.637, 215.753, 282.215], ['B', ' CG2', 214.718, 214.368, 284.244], ['B', ' CD1', 215.505, 216.837, 282.811]]
[['B', ' N ', 217.062, 211.674, 281.877], ['B', ' CA ', 217.295, 210.259, 282.163], ['B', ' C ', 218.628, 210.117, 282.893], ['B', ' O ', 219.662, 209.768, 282.32], ['B', ' CB ', 217.265, 209.442, 280.878], ['B', ' OG ', 218.202, 209.936, 279.937]]
[['B', ' N ', 218.59, 210.395, 284.191], ['B', ' CA ', 219.742, 210.264, 285.07], ['B', ' C ', 219.601, 209.002, 285.914], ['B', ' O ', 218.64, 208.24, 285.777], ['B', ' CB ', 219.894, 211.502, 285.955], ['B', ' CG2', 219.884, 212.767, 285.11], ['B', ' OG1', 218.817, 211.553, 286.898]]
[['B', ' N ', 220.609, 208.771, 286.761], ['B', ' CA ', 220.706, 207.657, 287.707], ['B', ' C ', 220.482, 206.299, 287.044], ['B', ' O ', 220.272, 205.295, 287.731], ['B', ' CB ', 219.745, 207.841, 288.896], ['B', ' CG ', 218.264, 207.586, 288.64], ['B', ' CD ', 217.449, 208.864, 288.593], ['B', ' OE1', 216.232, 208.804, 288.869], ['B', ' OE2', 218.024, 209.93, 288.288]]
[['B', ' N ', 220.538, 206.253, 285.714], ['B', ' CA ', 220.453, 204.991, 284.983], ['B', ' C ', 221.572, 204.81, 283.972], ['B', ' O ', 221.831, 203.671, 283.542], ['B', ' CB ', 219.079, 204.853, 284.288], ['B', ' CG1', 218.912, 205.931, 283.215], ['B', ' CG2', 217.95, 204.914, 285.305], ['B', ' CD1', 217.815, 205.631, 282.215]]
[['B', ' N ', 222.258, 205.868, 283.556], ['B', ' CA ', 223.407, 205.751, 282.674], ['B', ' C ', 224.692, 205.702, 283.492], ['B', ' O ', 224.719, 206.073, 284.669], ['B', ' CB ', 223.442, 206.91, 281.675], ['B', ' CG ', 223.727, 208.266, 282.283], ['B', ' CD1', 222.724, 208.985, 282.921], ['B', ' CD2', 224.99, 208.838, 282.199], ['B', ' CE1', 222.973, 210.224, 283.472], ['B', ' CE2', 225.248, 210.081, 282.746], ['B', ' CZ ', 224.235, 210.769, 283.382], ['B', ' OH ', 224.484, 212.006, 283.929]]
[['B', ' N ', 225.76, 205.233, 282.854], ['B', ' CA ', 226.985, 204.915, 283.573], ['B', ' C ', 227.63, 206.162, 284.167], ['B', ' O ', 227.675, 207.223, 283.539], ['B', ' CB ', 227.975, 204.208, 282.645], ['B', ' CG ', 228.29, 204.964, 281.362], ['B', ' CD ', 229.521, 205.843, 281.487], ['B', ' NE2', 229.485, 207.007, 280.852], ['B', ' OE1', 230.491, 205.479, 282.15]]
[['B', ' N ', 228.112, 206.026, 285.404], ['B', ' CA ', 229.028, 206.98, 286.03], ['B', ' C ', 230.164, 206.146, 286.622], ['B', ' O ', 230.151, 205.801, 287.806], ['B', ' CB ', 228.323, 207.83, 287.081]]
[['B', ' N ', 231.151, 205.826, 285.788], ['B', ' CA ', 232.236, 204.946, 286.155], ['B', ' C ', 232.366, 203.823, 285.149], ['B', ' O ', 231.913, 203.93, 284.005]]
[['B', ' N ', 232.992, 202.731, 285.582], ['B', ' CA ', 233.238, 201.574, 284.724], ['B', ' C ', 232.873, 200.29, 285.462], ['B', ' O ', 233.637, 199.324, 285.496], ['B', ' CB ', 234.691, 201.544, 284.254], ['B', ' OG ', 235.568, 201.247, 285.326]]
[['B', ' N ', 231.693, 200.269, 286.065], ['B', ' CA ', 231.245, 199.161, 286.892], ['B', ' C ', 229.863, 198.694, 286.466], ['B', ' O ', 229.094, 199.455, 285.871], ['B', ' CB ', 231.218, 199.56, 288.376], ['B', ' CG2', 232.625, 199.82, 288.881], ['B', ' OG1', 230.421, 200.74, 288.544]]
[['B', ' N ', 229.518, 197.433, 286.76], ['B', ' CA ', 228.155, 196.945, 286.494], ['B', ' C ', 227.151, 197.432, 287.529], ['B', ' O ', 226.062, 196.864, 287.661], ['B', ' CB ', 228.303, 195.417, 286.542], ['B', ' CG ', 229.77, 195.14, 286.507], ['B', ' CD ', 230.451, 196.339, 287.074]]
[['B', ' N ', 227.526, 198.476, 288.27], ['B', ' CA ', 226.791, 199.003, 289.415], ['B', ' C ', 225.282, 199.054, 289.221], ['B', ' O ', 224.54, 198.353, 289.916], ['B', ' CB ', 227.314, 200.41, 289.703], ['B', ' SG ', 226.338, 201.399, 290.823]]
[['B', ' N ', 224.829, 199.902, 288.302], ['B', ' CA ', 223.48, 199.893, 287.742], ['B', ' C ', 222.383, 200.328, 288.716], ['B', ' O ', 221.289, 200.696, 288.278], ['B', ' CB ', 223.166, 198.486, 287.216], ['B', ' CG ', 221.969, 198.45, 286.287], ['B', ' ND2', 221.577, 197.247, 285.884], ['B', ' OD1', 221.396, 199.482, 285.942]]
[['B', ' N ', 222.642, 200.33, 290.025], ['B', ' CA ', 221.636, 200.878, 290.917], ['B', ' C ', 222.043, 201.491, 292.244], ['B', ' O ', 221.192, 202.079, 292.92]]
[['B', ' N ', 223.317, 201.402, 292.631], ['B', ' CA ', 223.73, 201.792, 293.98], ['B', ' C ', 225.146, 202.357, 293.984], ['B', ' O ', 226.113, 201.649, 293.685], ['B', ' CB ', 223.611, 200.615, 294.975], ['B', ' CG1', 222.156, 200.264, 295.252], ['B', ' CG2', 224.322, 199.377, 294.439]]
[['B', ' N ', 225.282, 203.627, 294.365], ['B', ' CA ', 226.588, 204.274, 294.365], ['B', ' C ', 227.561, 203.522, 295.267], ['B', ' O ', 227.227, 203.155, 296.397], ['B', ' CB ', 226.458, 205.731, 294.814], ['B', ' CG ', 225.848, 205.92, 296.196], ['B', ' CD ', 224.337, 206.015, 296.162], ['B', ' OE1', 223.745, 205.705, 295.107], ['B', ' OE2', 223.741, 206.396, 297.191]]
[['B', ' N ', 228.763, 203.277, 294.753], ['B', ' CA ', 229.768, 202.54, 295.493], ['B', ' C ', 231.113, 203.235, 295.514], ['B', ' O ', 231.186, 204.46, 295.376]]
[['B', ' N ', 232.188, 202.464, 295.692], ['B', ' CA ', 233.522, 203.055, 295.693], ['B', ' C ', 233.907, 203.532, 294.298], ['B', ' O ', 234.414, 204.648, 294.129], ['B', ' CB ', 234.545, 202.049, 296.222], ['B', ' CG ', 235.971, 202.471, 296.013], ['B', ' CD1', 236.461, 203.617, 296.617], ['B', ' CD2', 236.82, 201.725, 295.214], ['B', ' CE1', 237.772, 204.012, 296.429], ['B', ' CE2', 238.133, 202.115, 295.022], ['B', ' CZ ', 238.609, 203.26, 295.63]]
[['B', ' N ', 233.674, 202.7, 293.284], ['B', ' CA ', 233.908, 203.091, 291.9], ['B', ' C ', 232.644, 203.652, 291.257], ['B', ' O ', 232.708, 204.62, 290.494], ['B', ' CB ', 234.434, 201.899, 291.097], ['B', ' CG ', 235.939, 201.752, 291.191], ['B', ' ND2', 236.417, 200.515, 291.135], ['B', ' OD1', 236.664, 202.739, 291.311]]
[['B', ' N ', 231.491, 203.051, 291.552], ['B', ' CA ', 230.206, 203.586, 291.12], ['B', ' C ', 229.921, 204.884, 291.865], ['B', ' O ', 229.584, 204.86, 293.053], ['B', ' CB ', 229.097, 202.556, 291.361], ['B', ' SG ', 227.411, 203.116, 291.013]]
[['B', ' N ', 230.048, 206.022, 291.18], ['B', ' CA ', 229.957, 207.314, 291.852], ['B', ' C ', 228.89, 208.21, 291.231], ['B', ' O ', 228.091, 207.758, 290.404], ['B', ' CB ', 231.32, 208.016, 291.849], ['B', ' CG ', 231.818, 208.447, 290.486], ['B', ' CD1', 232.459, 207.548, 289.644], ['B', ' CD2', 231.672, 209.758, 290.053], ['B', ' CE1', 232.922, 207.936, 288.404], ['B', ' CE2', 232.134, 210.156, 288.814], ['B', ' CZ ', 232.758, 209.241, 287.993], ['B', ' OH ', 233.22, 209.632, 286.758]]
[['B', ' N ', 228.873, 209.476, 291.634], ['B', ' CA ', 227.772, 210.381, 291.326], ['B', ' C ', 227.665, 210.655, 289.83], ['B', ' O ', 228.642, 211.115, 289.22], ['B', ' CB ', 227.96, 211.694, 292.079], ['B', ' CG ', 228.278, 211.519, 293.535], ['B', ' CD1', 227.264, 211.361, 294.465], ['B', ' CD2', 229.591, 211.515, 293.976], ['B', ' CE1', 227.553, 211.201, 295.806], ['B', ' CE2', 229.886, 211.354, 295.315], ['B', ' CZ ', 228.866, 211.197, 296.231]]
[['B', ' N ', 226.514, 210.389, 289.204], ['B', ' CA ', 226.335, 210.823, 287.808], ['B', ' C ', 226.252, 212.33, 287.66], ['B', ' O ', 226.529, 212.855, 286.574], ['B', ' CB ', 225.024, 210.138, 287.393], ['B', ' CG ', 224.789, 209.066, 288.419], ['B', ' CD ', 225.376, 209.592, 289.686]]
[['B', ' N ', 225.868, 213.043, 288.718], ['B', ' CA ', 225.692, 214.488, 288.68], ['B', ' C ', 226.223, 215.103, 289.969], ['B', ' O ', 226.494, 214.406, 290.95], ['B', ' CB ', 224.22, 214.877, 288.488], ['B', ' CG ', 223.308, 214.788, 289.714], ['B', ' CD1', 222.021, 215.553, 289.46], ['B', ' CD2', 223.006, 213.346, 290.097]]
[['B', ' N ', 226.363, 216.428, 289.958], ['B', ' CA ', 226.943, 217.166, 291.07], ['B', ' C ', 226.043, 218.338, 291.44], ['B', ' O ', 225.19, 218.763, 290.659], ['B', ' CB ', 228.352, 217.667, 290.726], ['B', ' CG ', 229.279, 217.794, 291.918], ['B', ' CD ', 229.348, 219.21, 292.446], ['B', ' NE2', 229.621, 219.348, 293.737], ['B', ' OE1', 229.156, 220.171, 291.703]]
[['B', ' N ', 226.243, 218.855, 292.653], ['B', ' CA ', 225.451, 219.959, 293.176], ['B', ' C ', 226.366, 220.983, 293.834], ['B', ' O ', 227.468, 220.657, 294.28], ['B', ' CB ', 224.404, 219.472, 294.183], ['B', ' OG ', 225.026, 218.893, 295.316]]
[['B', ' N ', 225.891, 222.229, 293.897], ['B', ' CA ', 226.715, 223.321, 294.407], ['B', ' C ', 226.707, 223.38, 295.932], ['B', ' O ', 227.749, 223.213, 296.575], ['B', ' CB ', 226.24, 224.654, 293.826], ['B', ' CG ', 226.489, 224.806, 292.345], ['B', ' CD1', 227.753, 225.119, 291.866], ['B', ' CD2', 225.462, 224.643, 291.427], ['B', ' CE1', 227.989, 225.262, 290.514], ['B', ' CE2', 225.687, 224.785, 290.074], ['B', ' CZ ', 226.953, 225.094, 289.623], ['B', ' OH ', 227.185, 225.235, 288.275]]
[['B', ' N ', 225.54, 223.616, 296.528], ['B', ' CA ', 225.47, 223.852, 297.958], ['B', ' C ', 225.893, 225.26, 298.327], ['B', ' O ', 226.905, 225.456, 299.006]]
[['B', ' N ', 225.12, 226.247, 297.879], ['B', ' CA ', 225.53, 227.644, 297.968], ['B', ' C ', 225.612, 228.124, 299.413], ['B', ' O ', 224.712, 227.871, 300.22], ['B', ' CB ', 224.557, 228.518, 297.179], ['B', ' CG ', 224.462, 228.165, 295.723], ['B', ' CD1', 225.508, 228.442, 294.861], ['B', ' CD2', 223.325, 227.559, 295.215], ['B', ' CE1', 225.423, 228.121, 293.52], ['B', ' CE2', 223.235, 227.235, 293.876], ['B', ' CZ ', 224.283, 227.516, 293.027]]
[['B', ' N ', 226.702, 228.821, 299.726], ['B', ' CA ', 226.94, 229.639, 300.904], ['B', ' C ', 226.793, 231.112, 300.544], ['B', ' O ', 226.9, 231.486, 299.373], ['B', ' CB ', 228.335, 229.361, 301.462], ['B', ' CG ', 228.434, 228.087, 302.287], ['B', ' CD ', 229.034, 226.931, 301.516], ['B', ' NE2', 228.713, 225.712, 301.932], ['B', ' OE1', 229.781, 227.129, 300.56]]
[['B', ' N ', 226.535, 231.985, 301.528], ['B', ' CA ', 226.224, 233.386, 301.203], ['B', ' C ', 227.33, 234.148, 300.486], ['B', ' O ', 227.098, 234.692, 299.402], ['B', ' CB ', 225.939, 234.008, 302.578], ['B', ' CG ', 226.559, 233.074, 303.566], ['B', ' CD ', 226.39, 231.719, 302.968]]
[['B', ' N ', 228.529, 234.207, 301.066], ['B', ' CA ', 229.538, 235.136, 300.563], ['B', ' C ', 230.304, 234.571, 299.368], ['B', ' O ', 230.244, 235.125, 298.265], ['B', ' CB ', 230.505, 235.513, 301.687], ['B', ' CG2', 229.805, 236.391, 302.712], ['B', ' OG1', 230.981, 234.323, 302.329]]
[['B', ' N ', 231.054, 233.486, 299.581], ['B', ' CA ', 231.884, 232.861, 298.551], ['B', ' C ', 232.957, 233.785, 297.983], ['B', ' O ', 233.679, 233.398, 297.059], ['B', ' CB ', 231.034, 232.337, 297.393], ['B', ' CG ', 230.554, 230.921, 297.558], ['B', ' CD1', 231.455, 229.88, 297.724], ['B', ' CD2', 229.206, 230.615, 297.493], ['B', ' CE1', 231.022, 228.579, 297.859], ['B', ' CE2', 228.765, 229.321, 297.619], ['B', ' CZ ', 229.674, 228.305, 297.805], ['B', ' OH ', 229.232, 227.01, 297.935]]
[['B', ' N ', 233.076, 235.002, 298.515], ['B', ' CA ', 233.969, 236.006, 297.971], ['B', ' C ', 233.188, 237.201, 297.444], ['B', ' O ', 232.188, 237.616, 298.041]]
[['B', ' N ', 233.648, 237.745, 296.318], ['B', ' CA ', 233.006, 238.894, 295.682], ['B', ' C ', 232.171, 238.472, 294.468], ['B', ' O ', 230.946, 238.606, 294.476], ['B', ' CB ', 234.039, 239.986, 295.319], ['B', ' CG1', 234.588, 240.613, 296.587], ['B', ' CG2', 235.206, 239.411, 294.526]]
[['B', ' N ', 232.811, 237.961, 293.418], ['B', ' CA ', 232.042, 237.345, 292.357], ['B', ' C ', 232.083, 235.833, 292.391], ['B', ' O ', 232.988, 235.218, 291.818]]
[['B', ' N ', 231.112, 235.222, 293.058], ['B', ' CA ', 230.871, 233.793, 292.903], ['B', ' C ', 229.4, 233.433, 293.028], ['B', ' O ', 229.073, 232.244, 292.984], ['B', ' CB ', 231.694, 232.996, 293.924], ['B', ' CG ', 232.078, 231.618, 293.44], ['B', ' CD1', 232.982, 231.457, 292.401], ['B', ' CD2', 231.534, 230.481, 294.018], ['B', ' CE1', 233.338, 230.201, 291.952], ['B', ' CE2', 231.883, 229.22, 293.575], ['B', ' CZ ', 232.785, 229.086, 292.542], ['B', ' OH ', 233.137, 227.832, 292.096]]
[['B', ' N ', 228.511, 234.406, 293.186], ['B', ' CA ', 227.133, 234.129, 293.541], ['B', ' C ', 226.375, 233.536, 292.355], ['B', ' O ', 226.713, 233.796, 291.198], ['B', ' CB ', 226.45, 235.41, 294.002], ['B', ' CG ', 227.133, 236.084, 295.178], ['B', ' CD ', 227.064, 237.597, 295.102], ['B', ' NE2', 227.92, 238.187, 294.277], ['B', ' OE1', 226.253, 238.228, 295.779]]
[['B', ' N ', 225.349, 232.731, 292.617], ['B', ' CA ', 224.478, 232.28, 291.528], ['B', ' C ', 223.731, 233.452, 290.913], ['B', ' O ', 223.406, 234.436, 291.582], ['B', ' CB ', 223.521, 231.302, 292.217], ['B', ' CG ', 223.527, 231.719, 293.65], ['B', ' CD ', 224.924, 232.194, 293.921]]
[['B', ' N ', 223.461, 233.336, 289.617], ['B', ' CA ', 222.834, 234.4, 288.849], ['B', ' C ', 221.629, 233.853, 288.1], ['B', ' O ', 221.68, 232.749, 287.55], ['B', ' CB ', 223.824, 235.014, 287.854], ['B', ' CG ', 224.588, 236.209, 288.378], ['B', ' CD1', 225.383, 236.111, 289.51], ['B', ' CD2', 224.537, 237.428, 287.72], ['B', ' CE1', 226.09, 237.198, 289.98], ['B', ' CE2', 225.241, 238.52, 288.183], ['B', ' CZ ', 226.014, 238.401, 289.313], ['B', ' OH ', 226.714, 239.491, 289.774]]
[['B', ' N ', 220.548, 234.628, 288.08], ['B', ' CA ', 219.374, 234.29, 287.286], ['B', ' C ', 219.561, 234.855, 285.883], ['B', ' O ', 219.73, 236.068, 285.715], ['B', ' CB ', 218.098, 234.83, 287.93], ['B', ' CG ', 217.582, 233.968, 289.073], ['B', ' CD ', 216.122, 234.242, 289.388], ['B', ' NE ', 215.727, 233.683, 290.679], ['B', ' CZ ', 214.58, 233.051, 290.904], ['B', ' NH1', 213.705, 232.887, 289.922], ['B', ' NH2', 214.307, 232.578, 292.112]]
[['B', ' N ', 219.539, 233.975, 284.884], ['B', ' CA ', 219.819, 234.328, 283.498], ['B', ' C ', 218.641, 233.892, 282.645], ['B', ' O ', 218.159, 232.762, 282.778], ['B', ' CB ', 221.117, 233.67, 282.998], ['B', ' CG1', 221.361, 234.015, 281.55], ['B', ' CG2', 222.291, 234.101, 283.853]]
[['B', ' N ', 218.181, 234.783, 281.772], ['B', ' CA ', 217.107, 234.491, 280.832], ['B', ' C ', 217.634, 234.692, 279.42], ['B', ' O ', 218.309, 235.689, 279.138], ['B', ' CB ', 215.871, 235.367, 281.09], ['B', ' CG1', 216.24, 236.829, 281.033], ['B', ' CG2', 214.799, 235.062, 280.07]]
[['B', ' N ', 217.35, 233.735, 278.544], ['B', ' CA ', 217.774, 233.783, 277.151], ['B', ' C ', 216.554, 233.604, 276.257], ['B', ' O ', 215.761, 232.676, 276.451], ['B', ' CB ', 218.867, 232.739, 276.857], ['B', ' CG1', 218.349, 231.34, 277.031], ['B', ' CG2', 219.378, 232.913, 275.441]]
[['B', ' N ', 216.392, 234.514, 275.303], ['B', ' CA ', 215.25, 234.525, 274.401], ['B', ' C ', 215.734, 234.331, 272.973], ['B', ' O ', 216.63, 235.048, 272.516], ['B', ' CB ', 214.478, 235.839, 274.515], ['B', ' CG ', 214.227, 236.372, 275.922], ['B', ' CD1', 213.622, 237.761, 275.858], ['B', ' CD2', 213.323, 235.427, 276.685]]
[['B', ' N ', 215.146, 233.367, 272.273], ['B', ' CA ', 215.46, 233.109, 270.875], ['B', ' C ', 214.272, 233.518, 270.022], ['B', ' O ', 213.258, 232.814, 269.989], ['B', ' CB ', 215.794, 231.637, 270.64], ['B', ' OG ', 217.084, 231.31, 271.115]]
[['B', ' N ', 214.395, 234.646, 269.333], ['B', ' CA ', 213.4, 235.042, 268.352], ['B', ' C ', 213.555, 234.148, 267.133], ['B', ' O ', 214.674, 233.925, 266.662], ['B', ' CB ', 213.564, 236.508, 267.956], ['B', ' CG ', 213.543, 237.459, 269.117], ['B', ' CD1', 212.355, 237.802, 269.73], ['B', ' CD2', 214.713, 238.027, 269.581], ['B', ' CE1', 212.339, 238.683, 270.792], ['B', ' CE2', 214.701, 238.906, 270.64], ['B', ' CZ ', 213.514, 239.234, 271.245]]
[['B', ' N ', 212.441, 233.623, 266.635], ['B', ' CA ', 212.47, 232.788, 265.436], ['B', ' C ', 212.105, 233.682, 264.261], ['B', ' O ', 210.934, 233.92, 263.968], ['B', ' CB ', 211.538, 231.593, 265.581], ['B', ' CG ', 211.99, 230.606, 266.659], ['B', ' CD ', 211.62, 229.168, 266.349], ['B', ' OE1', 210.418, 228.836, 266.381], ['B', ' OE2', 212.537, 228.367, 266.076]]
[['B', ' N ', 213.134, 234.187, 263.585], ['B', ' CA ', 212.964, 235.23, 262.582], ['B', ' C ', 212.626, 234.619, 261.23], ['B', ' O ', 213.431, 233.877, 260.658], ['B', ' CB ', 214.231, 236.07, 262.479], ['B', ' CG ', 214.031, 237.317, 261.625], ['B', ' CD1', 212.866, 238.138, 262.15], ['B', ' CD2', 215.296, 238.137, 261.575]]
[['B', ' N ', 211.45, 234.951, 260.705], ['B', ' CA ', 211.003, 234.422, 259.426], ['B', ' C ', 210.16, 235.481, 258.725], ['B', ' O ', 210.153, 236.654, 259.111], ['B', ' CB ', 210.219, 233.117, 259.615], ['B', ' CG ', 210.963, 231.873, 260.09], ['B', ' CD1', 209.984, 230.743, 260.359], ['B', ' CD2', 211.996, 231.456, 259.058]]
[['B', ' N ', 209.452, 235.056, 257.677], ['B', ' CA ', 208.493, 235.893, 256.978], ['B', ' C ', 207.07, 235.361, 257.044], ['B', ' O ', 206.152, 236.046, 256.581], ['B', ' CB ', 208.9, 236.064, 255.506], ['B', ' CG ', 209.064, 234.773, 254.765], ['B', ' CD2', 210.172, 234.067, 254.437], ['B', ' ND1', 207.998, 234.07, 254.246], ['B', ' CE1', 208.44, 232.983, 253.64], ['B', ' NE2', 209.757, 232.958, 253.741]]
[['B', ' N ', 206.858, 234.179, 257.617], ['B', ' CA ', 205.524, 233.629, 257.773], ['B', ' C ', 204.709, 234.504, 258.725], ['B', ' O ', 205.275, 235.284, 259.494], ['B', ' CB ', 205.608, 232.196, 258.295]]
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[['B', ' N ', 209.993, 253.78, 229.385], ['B', ' CA ', 209.014, 253.244, 228.447], ['B', ' C ', 207.617, 253.34, 229.042], ['B', ' O ', 207.431, 253.726, 230.197], ['B', ' CB ', 209.325, 251.782, 228.094], ['B', ' CG ', 208.968, 250.803, 229.207], ['B', ' CD ', 209.388, 249.381, 228.902], ['B', ' NE2', 209.169, 248.485, 229.855], ['B', ' OE1', 209.908, 249.091, 227.826]]
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[['B', ' N ', 209.44, 257.078, 222.005], ['B', ' CA ', 209.352, 255.68, 222.386], ['B', ' C ', 210.482, 255.257, 223.304], ['B', ' O ', 210.529, 254.094, 223.708], ['B', ' CB ', 209.34, 254.79, 221.144], ['B', ' CG ', 208.074, 254.91, 220.325], ['B', ' CD ', 207.792, 253.63, 219.575], ['B', ' NE ', 208.08, 252.455, 220.388], ['B', ' CZ ', 208.913, 251.486, 220.024], ['B', ' NH1', 209.545, 251.556, 218.861], ['B', ' NH2', 209.116, 250.449, 220.825]]
[['B', ' N ', 211.392, 256.167, 223.642], ['B', ' CA ', 212.475, 255.858, 224.565], ['B', ' C ', 212.465, 256.781, 225.774], ['B', ' O ', 213.428, 256.793, 226.539], ['B', ' CB ', 213.832, 255.938, 223.868]]
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[['B', ' N ', 217.706, 263.746, 207.137], ['B', ' CA ', 218.749, 262.838, 207.593], ['B', ' C ', 219.283, 263.34, 208.921], ['B', ' O ', 219.707, 264.492, 209.029], ['B', ' CB ', 219.872, 262.764, 206.566], ['B', ' CG ', 221.095, 262.023, 207.055], ['B', ' CD ', 222.119, 262.943, 207.689], ['B', ' OE1', 222.642, 262.595, 208.768], ['B', ' OE2', 222.396, 264.016, 207.112]]
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[['B', ' N ', 220.959, 264.079, 212.702], ['B', ' CA ', 222.259, 264.552, 213.145], ['B', ' C ', 222.634, 264.046, 214.531], ['B', ' O ', 223.817, 263.84, 214.807], ['B', ' CB ', 222.255, 266.084, 213.109], ['B', ' CG ', 223.611, 266.685, 213.347], ['B', ' OD1', 224.474, 266.581, 212.453], ['B', ' OD2', 223.793, 267.312, 214.407]]
[['B', ' N ', 221.655, 263.838, 215.413], ['B', ' CA ', 221.894, 263.329, 216.754], ['B', ' C ', 220.961, 262.149, 216.999], ['B', ' O ', 219.74, 262.304, 216.924], ['B', ' CB ', 221.678, 264.405, 217.831], ['B', ' CG1', 222.585, 265.604, 217.579], ['B', ' CG2', 221.932, 263.838, 219.206], ['B', ' CD1', 222.075, 266.88, 218.201]]
[['B', ' N ', 221.473, 260.955, 217.3], ['B', ' CA ', 220.603, 259.783, 217.475], ['B', ' C ', 219.979, 259.762, 218.862], ['B', ' O ', 220.69, 259.76, 219.868], ['B', ' CB ', 221.563, 258.606, 217.28], ['B', ' CG ', 222.791, 259.198, 216.669], ['B', ' CD ', 222.883, 260.561, 217.244]]
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[['B', ' N ', 216.66, 257.641, 219.397], ['B', ' CA ', 216.233, 256.256, 219.423], ['B', ' C ', 214.858, 255.997, 218.843], ['B', ' O ', 213.962, 256.833, 218.962]]
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[['B', ' N ', 215.371, 261.501, 215.913], ['B', ' CA ', 216.683, 262.127, 215.988], ['B', ' C ', 216.486, 263.613, 216.261], ['B', ' O ', 215.356, 264.093, 216.368], ['B', ' CB ', 217.47, 261.905, 214.7], ['B', ' SG ', 218.313, 260.309, 214.501]]
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[['B', ' N ', 218.971, 272.971, 213.344], ['B', ' CA ', 218.802, 273.906, 212.242], ['B', ' C ', 217.555, 274.765, 212.447], ['B', ' O ', 216.781, 274.585, 213.391], ['B', ' CB ', 218.747, 273.165, 210.904], ['B', ' CG ', 217.578, 272.209, 210.709], ['B', ' CD ', 216.321, 272.912, 210.218], ['B', ' NE2', 215.161, 272.369, 210.561], ['B', ' OE1', 216.397, 273.922, 209.523]]
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[['B', ' N ', 216.042, 282.368, 217.038], ['B', ' CA ', 214.901, 281.462, 217.046], ['B', ' C ', 215.345, 280.016, 216.864], ['B', ' O ', 214.527, 279.098, 216.905], ['B', ' CB ', 213.905, 281.844, 215.951], ['B', ' OG ', 214.452, 281.614, 214.664]]
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[['B', ' N ', 216.404, 273.563, 219.299], ['B', ' CA ', 216.566, 272.133, 219.076], ['B', ' C ', 215.224, 271.513, 218.735], ['B', ' O ', 214.232, 271.717, 219.442], ['B', ' CB ', 217.188, 271.474, 220.316], ['B', ' CG1', 218.537, 272.097, 220.616], ['B', ' CG2', 217.367, 269.999, 220.097], ['B', ' CD1', 219.509, 271.914, 219.504]]
[['B', ' N ', 215.188, 270.747, 217.646], ['B', ' CA ', 213.969, 270.112, 217.171], ['B', ' C ', 214.172, 268.604, 217.166], ['B', ' O ', 215.293, 268.103, 217.22], ['B', ' CB ', 213.559, 270.604, 215.774], ['B', ' CG1', 214.765, 270.631, 214.843], ['B', ' CG2', 212.945, 271.978, 215.858], ['B', ' CD1', 214.383, 270.641, 213.398]]
[['B', ' N ', 213.058, 267.881, 217.093], ['B', ' CA ', 213.071, 266.426, 217.022], ['B', ' C ', 212.154, 265.995, 215.893], ['B', ' O ', 210.989, 266.399, 215.856], ['B', ' CB ', 212.625, 265.798, 218.344]]
[['B', ' N ', 212.671, 265.181, 214.983], ['B', ' CA ', 211.92, 264.678, 213.844], ['B', ' C ', 212.091, 263.168, 213.732], ['B', ' O ', 212.85, 262.55, 214.478], ['B', ' CB ', 212.373, 265.362, 212.558], ['B', ' CG ', 213.872, 265.478, 212.428], ['B', ' CD1', 214.662, 264.357, 212.28], ['B', ' CD2', 214.492, 266.712, 212.433], ['B', ' CE1', 216.02, 264.461, 212.155], ['B', ' CE2', 215.851, 266.823, 212.303], ['B', ' CZ ', 216.609, 265.693, 212.164], ['B', ' OH ', 217.972, 265.794, 212.038]]
[['B', ' N ', 211.382, 262.576, 212.778], ['B', ' CA ', 211.53, 261.166, 212.443], ['B', ' C ', 212.349, 261.076, 211.162], ['B', ' O ', 211.966, 261.639, 210.134], ['B', ' CB ', 210.163, 260.484, 212.312], ['B', ' CG2', 209.29, 261.12, 211.234], ['B', ' OG1', 210.335, 259.088, 212.048]]
[['B', ' N ', 213.492, 260.403, 211.231], ['B', ' CA ', 214.478, 260.539, 210.17], ['B', ' C ', 214.04, 259.815, 208.901], ['B', ' O ', 213.369, 258.782, 208.945], ['B', ' CB ', 215.837, 260.026, 210.633], ['B', ' CG ', 215.942, 258.542, 210.806], ['B', ' SD ', 217.681, 258.104, 210.801], ['B', ' CE ', 217.598, 256.333, 210.779]]
[['B', ' N ', 214.427, 260.38, 207.758], ['B', ' CA ', 214.038, 259.881, 206.448], ['B', ' C ', 215.261, 259.349, 205.721], ['B', ' O ', 216.336, 259.949, 205.768], ['B', ' CB ', 213.372, 260.966, 205.61], ['B', ' OG ', 213.142, 260.516, 204.286]]
[['B', ' N ', 215.077, 258.227, 205.042], ['B', ' CA ', 216.168, 257.357, 204.603], ['B', ' C ', 216.555, 257.594, 203.149], ['B', ' O ', 216.672, 256.651, 202.377], ['B', ' CB ', 215.757, 255.911, 204.829], ['B', ' CG ', 215.849, 255.439, 206.277], ['B', ' CD1', 214.781, 256.065, 207.129], ['B', ' CD2', 215.634, 253.97, 206.298]]
[['B', ' N ', 216.797, 258.838, 202.758], ['B', ' CA ', 217.146, 259.13, 201.381], ['B', ' C ', 215.957, 259.546, 200.538], ['B', ' O ', 214.8, 259.529, 200.963]]
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[['B', ' N ', 213.328, 257.411, 194.132], ['B', ' CA ', 213.756, 257.297, 192.745], ['B', ' C ', 212.996, 256.163, 192.083], ['B', ' O ', 212.868, 255.082, 192.662], ['B', ' CB ', 215.254, 257.04, 192.644], ['B', ' CG ', 215.783, 257.299, 191.259], ['B', ' ND2', 217.0, 256.841, 190.992], ['B', ' OD1', 215.103, 257.901, 190.429]]
[['B', ' N ', 212.503, 256.409, 190.873], ['B', ' CA ', 211.806, 255.4, 190.08], ['B', ' C ', 212.442, 255.389, 188.695], ['B', ' O ', 211.987, 256.09, 187.787], ['B', ' CB ', 210.311, 255.68, 190.016], ['B', ' OG ', 209.767, 255.82, 191.312]]
[['B', ' N ', 213.503, 254.595, 188.538], ['B', ' CA ', 214.117, 254.442, 187.229], ['B', ' C ', 213.104, 253.827, 186.281], ['B', ' O ', 212.435, 252.84, 186.608], ['B', ' CB ', 215.402, 253.609, 187.333], ['B', ' CG1', 216.408, 254.319, 188.208], ['B', ' CG2', 215.107, 252.249, 187.927]]
[['B', ' N ', 212.97, 254.423, 185.1], ['B', ' CA ', 211.907, 254.046, 184.175], ['B', ' C ', 212.243, 252.681, 183.59], ['B', ' O ', 212.72, 252.546, 182.462], ['B', ' CB ', 211.74, 255.095, 183.083]]
[['B', ' N ', 211.995, 251.648, 184.383], ['B', ' CA ', 212.228, 250.287, 183.928], ['B', ' C ', 211.198, 249.939, 182.863], ['B', ' O ', 209.996, 249.903, 183.14], ['B', ' CB ', 212.159, 249.315, 185.102], ['B', ' CG ', 212.16, 247.866, 184.685], ['B', ' CD1', 213.345, 247.17, 184.542], ['B', ' CD2', 210.978, 247.197, 184.433], ['B', ' CE1', 213.35, 245.858, 184.156], ['B', ' CE2', 210.977, 245.886, 184.042], ['B', ' CZ ', 212.162, 245.22, 183.906], ['B', ' OH ', 212.158, 243.906, 183.52]]
[['B', ' N ', 211.664, 249.699, 181.645], ['B', ' CA ', 210.832, 249.213, 180.558], ['B', ' C ', 211.418, 247.894, 180.077], ['B', ' O ', 212.523, 247.515, 180.467], ['B', ' CB ', 210.757, 250.24, 179.421], ['B', ' OG ', 209.727, 249.922, 178.505]]
[['B', ' N ', 210.672, 247.171, 179.241], ['B', ' CA ', 211.18, 245.881, 178.794], ['B', ' C ', 212.282, 245.998, 177.751], ['B', ' O ', 213.03, 245.035, 177.566], ['B', ' CB ', 210.054, 244.993, 178.253], ['B', ' CG ', 209.392, 245.559, 177.02], ['B', ' ND2', 208.332, 244.903, 176.57], ['B', ' OD1', 209.829, 246.561, 176.468]]
[['B', ' N ', 212.4, 247.136, 177.051], ['B', ' CA ', 213.534, 247.363, 176.154], ['B', ' C ', 213.978, 248.823, 176.267], ['B', ' O ', 213.52, 249.7, 175.537], ['B', ' CB ', 213.185, 246.987, 174.722], ['B', ' CG ', 212.063, 247.814, 174.167], ['B', ' ND2', 212.02, 247.944, 172.852], ['B', ' OD1', 211.241, 248.335, 174.91]]
[['B', ' N ', 214.885, 249.087, 177.203], ['B', ' CA ', 215.576, 250.372, 177.271], ['B', ' C ', 216.766, 250.225, 178.198], ['B', ' O ', 216.579, 249.995, 179.394], ['B', ' CB ', 214.653, 251.473, 177.767], ['B', ' OG ', 213.668, 251.781, 176.8]]
[['B', ' N ', 217.973, 250.374, 177.671], ['B', ' CA ', 219.18, 250.313, 178.484], ['B', ' C ', 219.799, 251.702, 178.528], ['B', ' O ', 219.612, 252.515, 177.619], ['B', ' CB ', 220.18, 249.272, 177.942], ['B', ' CG1', 221.308, 249.036, 178.939], ['B', ' CG2', 220.754, 249.726, 176.623], ['B', ' CD1', 222.134, 247.823, 178.632]]
[['B', ' N ', 220.521, 251.982, 179.607], ['B', ' CA ', 221.219, 253.248, 179.786], ['B', ' C ', 222.712, 252.98, 179.816], ['B', ' O ', 223.175, 252.147, 180.599], ['B', ' CB ', 220.777, 253.944, 181.069]]
[['B', ' N ', 223.463, 253.69, 178.982], ['B', ' CA ', 224.884, 253.444, 178.78], ['B', ' C ', 225.624, 254.758, 178.974], ['B', ' O ', 225.234, 255.766, 178.385], ['B', ' CB ', 225.183, 252.869, 177.386], ['B', ' CG1', 224.428, 251.567, 177.18], ['B', ' CG2', 226.646, 252.606, 177.234], ['B', ' CD1', 224.618, 250.993, 175.817]]
[['B', ' N ', 226.688, 254.795, 179.767], ['B', ' CA ', 227.36, 256.063, 180.048], ['B', ' C ', 228.044, 256.648, 178.826], ['B', ' O ', 228.418, 255.939, 177.892], ['B', ' CB ', 228.389, 255.68, 181.112], ['B', ' CG ', 227.838, 254.463, 181.72], ['B', ' CD ', 227.208, 253.716, 180.611]]
[['B', ' N ', 228.208, 257.968, 178.847], ['B', ' CA ', 228.941, 258.669, 177.811], ['B', ' C ', 230.305, 259.144, 178.294], ['B', ' O ', 231.262, 259.138, 177.512], ['B', ' CB ', 228.118, 259.859, 177.284], ['B', ' CG1', 226.786, 259.39, 176.728], ['B', ' CG2', 228.863, 260.552, 176.177], ['B', ' CD1', 226.919, 258.453, 175.582]]
[['B', ' N ', 230.421, 259.552, 179.555], ['B', ' CA ', 231.633, 260.111, 180.127], ['B', ' C ', 231.919, 259.391, 181.436], ['B', ' O ', 231.101, 258.613, 181.925], ['B', ' CB ', 231.48, 261.624, 180.341], ['B', ' CG ', 232.774, 262.298, 180.739], ['B', ' ND2', 232.73, 263.615, 180.911], ['B', ' OD1', 233.802, 261.645, 180.891]]
[['B', ' N ', 233.093, 259.64, 182.009], ['B', ' CA ', 233.494, 258.954, 183.227], ['B', ' C ', 234.247, 259.906, 184.137], ['B', ' O ', 234.779, 260.925, 183.699], ['B', ' CB ', 234.366, 257.736, 182.934], ['B', ' CG ', 235.608, 258.044, 182.147], ['B', ' CD1', 235.569, 258.133, 180.77], ['B', ' CD2', 236.818, 258.219, 182.784], ['B', ' CE1', 236.704, 258.401, 180.053], ['B', ' CE2', 237.955, 258.485, 182.066], ['B', ' CZ ', 237.897, 258.577, 180.702]]
[['B', ' N ', 234.282, 259.561, 185.421], ['B', ' CA ', 235.002, 260.333, 186.422], ['B', ' C ', 235.847, 259.405, 187.275], ['B', ' O ', 235.39, 258.335, 187.68], ['B', ' CB ', 234.058, 261.12, 187.332], ['B', ' CG2', 233.061, 261.921, 186.519], ['B', ' OG1', 233.355, 260.213, 188.186]]
[['B', ' N ', 237.069, 259.827, 187.553], ['B', ' CA ', 237.996, 259.09, 188.4], ['B', ' C ', 237.945, 259.686, 189.795], ['B', ' O ', 238.0, 260.908, 189.961], ['B', ' CB ', 239.421, 259.148, 187.827], ['B', ' CG1', 239.443, 258.595, 186.406], ['B', ' CG2', 240.374, 258.388, 188.705], ['B', ' CD1', 239.357, 257.099, 186.33]]
[['B', ' N ', 237.827, 258.831, 190.803], ['B', ' CA ', 237.72, 259.286, 192.178], ['B', ' C ', 238.74, 258.565, 193.041], ['B', ' O ', 238.981, 257.37, 192.877], ['B', ' CB ', 236.324, 259.056, 192.734], ['B', ' OG ', 236.158, 257.705, 193.108]]
[['B', ' N ', 239.326, 259.307, 193.973], ['B', ' CA ', 240.425, 258.819, 194.801], ['B', ' C ', 239.96, 258.961, 196.247], ['B', ' O ', 240.138, 260.009, 196.873], ['B', ' CB ', 241.723, 259.59, 194.557], ['B', ' CG1', 242.809, 259.108, 195.487], ['B', ' CG2', 242.15, 259.47, 193.109]]
[['B', ' N ', 239.36, 257.909, 196.786], ['B', ' CA ', 238.811, 257.946, 198.134], ['B', ' C ', 239.907, 257.63, 199.145], ['B', ' O ', 241.1, 257.687, 198.844], ['B', ' CB ', 237.631, 256.989, 198.26], ['B', ' CG2', 236.472, 257.458, 197.4], ['B', ' OG1', 238.031, 255.68, 197.844]]
[['B', ' N ', 239.511, 257.321, 200.375], ['B', ' CA ', 240.46, 257.089, 201.45], ['B', ' C ', 239.865, 256.077, 202.415], ['B', ' O ', 238.654, 256.057, 202.64], ['B', ' CB ', 240.783, 258.395, 202.182], ['B', ' CG2', 241.889, 258.196, 203.174], ['B', ' OG1', 241.203, 259.376, 201.233]]
[['B', ' N ', 240.72, 255.231, 202.974], ['B', ' CA ', 240.313, 254.32, 204.03], ['B', ' C ', 241.376, 254.312, 205.11], ['B', ' O ', 242.571, 254.32, 204.812], ['B', ' CB ', 240.096, 252.901, 203.511], ['B', ' CG ', 239.032, 252.146, 204.273], ['B', ' CD ', 239.066, 250.665, 204.006], ['B', ' OE1', 239.357, 250.276, 202.859], ['B', ' OE2', 238.797, 249.888, 204.942]]
[['B', ' N ', 240.939, 254.288, 206.363], ['B', ' CA ', 241.842, 254.36, 207.502], ['B', ' C ', 241.547, 253.189, 208.421], ['B', ' O ', 240.389, 252.96, 208.786], ['B', ' CB ', 241.7, 255.689, 208.253], ['B', ' CG1', 242.343, 256.811, 207.452], ['B', ' CG2', 242.33, 255.599, 209.608], ['B', ' CD1', 242.084, 258.157, 208.022]]
[['B', ' N ', 242.585, 252.449, 208.79], ['B', ' CA ', 242.473, 251.314, 209.685], ['B', ' C ', 243.532, 251.417, 210.769], ['B', ' O ', 244.635, 251.902, 210.515], ['B', ' CB ', 242.654, 249.99, 208.93], ['B', ' CG ', 241.676, 249.668, 207.802], ['B', ' CD1', 242.364, 248.896, 206.705], ['B', ' CD2', 240.503, 248.88, 208.328]]
[['B', ' N ', 243.227, 250.975, 211.983], ['B', ' CA ', 244.251, 250.878, 213.021], ['B', ' C ', 244.934, 249.523, 212.986], ['B', ' O ', 244.331, 248.501, 212.664], ['B', ' CB ', 243.44, 251.054, 214.308], ['B', ' CG ', 242.14, 250.443, 213.977], ['B', ' CD ', 241.888, 250.688, 212.513]]
[['B', ' N ', 246.222, 249.522, 213.321], ['B', ' CA ', 247.03, 248.33, 213.101], ['B', ' C ', 247.631, 247.798, 214.395], ['B', ' O ', 247.819, 246.586, 214.54], ['B', ' CB ', 248.132, 248.617, 212.069], ['B', ' CG1', 248.953, 247.386, 211.815], ['B', ' CG2', 247.52, 249.083, 210.778]]
[['B', ' N ', 247.913, 248.672, 215.357], ['B', ' CA ', 248.593, 248.197, 216.553], ['B', ' C ', 248.424, 249.19, 217.688], ['B', ' O ', 248.42, 250.401, 217.471], ['B', ' CB ', 250.078, 247.967, 216.284], ['B', ' OG ', 250.767, 249.199, 216.24]]
[['B', ' N ', 248.309, 248.664, 218.9], ['B', ' CA ', 248.179, 249.485, 220.093], ['B', ' C ', 249.564, 249.949, 220.533], ['B', ' O ', 250.543, 249.809, 219.797], ['B', ' CB ', 247.486, 248.711, 221.215], ['B', ' CG ', 246.362, 247.815, 220.789], ['B', ' SD ', 245.243, 247.554, 222.165], ['B', ' CE ', 246.16, 246.339, 223.091]]
[['B', ' N ', 249.661, 250.5, 221.736], ['B', ' CA ', 250.936, 250.855, 222.334], ['B', ' C ', 251.288, 249.803, 223.373], ['B', ' O ', 250.434, 249.388, 224.162], ['B', ' CB ', 250.899, 252.256, 222.951], ['B', ' CG2', 249.913, 252.331, 224.099], ['B', ' OG1', 252.206, 252.609, 223.415]]
[['B', ' N ', 252.53, 249.341, 223.334], ['B', ' CA ', 252.963, 248.262, 224.201], ['B', ' C ', 253.033, 248.745, 225.643], ['B', ' O ', 253.219, 249.931, 225.913], ['B', ' CB ', 254.32, 247.744, 223.733], ['B', ' CG ', 254.258, 247.104, 222.356], ['B', ' CD ', 255.631, 246.797, 221.791], ['B', ' CE ', 256.29, 245.656, 222.524], ['B', ' NZ ', 257.581, 245.288, 221.891]]
[['B', ' N ', 252.862, 247.815, 226.575], ['B', ' CA ', 252.898, 248.158, 227.987], ['B', ' C ', 253.267, 246.93, 228.797], ['B', ' O ', 253.163, 245.796, 228.328], ['B', ' CB ', 251.561, 248.706, 228.48], ['B', ' CG2', 250.495, 247.648, 228.356], ['B', ' OG1', 251.681, 249.07, 229.858]]
[['B', ' N ', 253.701, 247.173, 230.029], ['B', ' CA ', 254.055, 246.094, 230.939], ['B', ' C ', 254.041, 246.65, 232.351], ['B', ' O ', 254.725, 247.635, 232.633], ['B', ' CB ', 255.427, 245.509, 230.605], ['B', ' OG ', 255.732, 244.421, 231.457]]
[['B', ' N ', 253.265, 246.023, 233.227], ['B', ' CA ', 253.049, 246.517, 234.578], ['B', ' C ', 253.636, 245.516, 235.556], ['B', ' O ', 253.27, 244.336, 235.54], ['B', ' CB ', 251.56, 246.751, 234.865], ['B', ' CG1', 251.386, 247.493, 236.174], ['B', ' CG2', 250.932, 247.528, 233.731]]
[['B', ' N ', 254.539, 245.991, 236.407], ['B', ' CA ', 255.079, 245.166, 237.474], ['B', ' C ', 253.976, 244.805, 238.461], ['B', ' O ', 253.009, 245.547, 238.641], ['B', ' CB ', 256.205, 245.913, 238.183], ['B', ' CG ', 256.942, 245.055, 239.176], ['B', ' OD1', 256.619, 243.857, 239.296], ['B', ' OD2', 257.856, 245.582, 239.839]]
[['B', ' N ', 254.119, 243.646, 239.101], ['B', ' CA ', 253.088, 243.19, 240.027], ['B', ' C ', 253.241, 243.859, 241.38], ['B', ' O ', 252.407, 244.67, 241.795], ['B', ' CB ', 253.205, 241.687, 240.244], ['B', ' SG ', 253.143, 240.637, 238.821]]
[['B', ' N ', 254.325, 243.532, 242.069], ['B', ' CA ', 254.514, 243.912, 243.454], ['B', ' C ', 254.95, 245.353, 243.634], ['B', ' O ', 254.794, 245.881, 244.736], ['B', ' CB ', 255.528, 242.986, 244.114], ['B', ' CG2', 256.864, 243.094, 243.434], ['B', ' OG1', 255.658, 243.333, 245.496]]
[['B', ' N ', 255.482, 246.011, 242.61], ['B', ' CA ', 255.679, 247.445, 242.741], ['B', ' C ', 254.362, 248.201, 242.705], ['B', ' O ', 254.269, 249.287, 243.282], ['B', ' CB ', 256.61, 247.985, 241.651], ['B', ' CG ', 256.931, 249.467, 241.836], ['B', ' SD ', 258.026, 250.24, 240.629], ['B', ' CE ', 259.597, 249.528, 241.063]]
[['B', ' N ', 253.333, 247.637, 242.08], ['B', ' CA ', 252.01, 248.242, 242.079], ['B', ' C ', 251.205, 247.864, 243.313], ['B', ' O ', 250.637, 248.735, 243.975], ['B', ' CB ', 251.245, 247.833, 240.817], ['B', ' CG ', 249.853, 248.399, 240.757], ['B', ' CD1', 249.643, 249.76, 240.698], ['B', ' CD2', 248.749, 247.572, 240.771], ['B', ' CE1', 248.378, 250.277, 240.647], ['B', ' CE2', 247.481, 248.087, 240.722], ['B', ' CZ ', 247.304, 249.437, 240.661], ['B', ' OH ', 246.04, 249.957, 240.608]]
[['B', ' N ', 251.152, 246.573, 243.638], ['B', ' CA ', 250.37, 246.126, 244.785], ['B', ' C ', 250.988, 246.619, 246.083], ['B', ' O ', 250.292, 247.134, 246.963], ['B', ' CB ', 250.24, 244.597, 244.78], ['B', ' CG1', 249.657, 244.125, 243.457], ['B', ' CG2', 249.381, 244.149, 245.922], ['B', ' CD1', 248.376, 244.798, 243.108]]
[['B', ' N ', 252.3, 246.464, 246.228], ['B', ' CA ', 253.0, 246.776, 247.471], ['B', ' C ', 254.098, 247.779, 247.148], ['B', ' O ', 255.249, 247.397, 246.935], ['B', ' CB ', 253.577, 245.527, 248.072], ['B', ' SG ', 252.486, 244.115, 247.982]]
[['B', ' N ', 253.757, 249.06, 247.128], ['B', ' CA ', 254.745, 250.032, 246.715], ['B', ' C ', 255.891, 250.146, 247.693], ['B', ' O ', 255.767, 250.795, 248.735]]
[['B', ' N ', 257.021, 249.542, 247.338], ['B', ' CA ', 258.258, 249.576, 248.12], ['B', ' C ', 257.987, 249.317, 249.602], ['B', ' O ', 258.106, 250.193, 250.457], ['B', ' CB ', 258.998, 250.897, 247.911], ['B', ' CG ', 260.194, 251.046, 248.825], ['B', ' OD1', 261.113, 250.207, 248.742], ['B', ' OD2', 260.207, 251.995, 249.634]]
[['B', ' N ', 257.57, 248.091, 249.893], ['B', ' CA ', 257.355, 247.678, 251.268], ['B', ' C ', 257.76, 246.222, 251.413], ['B', ' O ', 257.753, 245.454, 250.45], ['B', ' CB ', 255.9, 247.873, 251.699], ['B', ' OG ', 255.083, 246.837, 251.195]]
[['B', ' N ', 258.122, 245.847, 252.64], ['B', ' CA ', 258.463, 244.469, 252.952], ['B', ' C ', 257.407, 243.753, 253.773], ['B', ' O ', 257.399, 242.519, 253.785], ['B', ' CB ', 259.803, 244.396, 253.699], ['B', ' CG2', 259.642, 244.866, 255.135], ['B', ' OG1', 260.278, 243.045, 253.693]]
[['B', ' N ', 256.515, 244.478, 254.441], ['B', ' CA ', 255.382, 243.86, 255.119], ['B', ' C ', 254.32, 243.44, 254.173], ['B', ' O ', 253.257, 242.996, 254.608], ['B', ' CB ', 254.798, 244.816, 256.16], ['B', ' CG ', 255.845, 245.554, 256.969], ['B', ' CD ', 255.237, 246.455, 258.022], ['B', ' OE1', 254.114, 246.162, 258.479], ['B', ' OE2', 255.882, 247.454, 258.399]]
[['B', ' N ', 254.569, 243.592, 252.874], ['B', ' CA ', 253.667, 243.099, 251.847], ['B', ' C ', 254.32, 241.978, 251.049], ['B', ' O ', 253.808, 241.593, 249.995], ['B', ' CB ', 253.227, 244.245, 250.934], ['B', ' SG ', 251.821, 243.872, 249.879]]
[['B', ' N ', 255.453, 241.461, 251.52], ['B', ' CA ', 256.009, 240.225, 250.983], ['B', ' C ', 255.314, 239.013, 251.581], ['B', ' O ', 254.871, 238.114, 250.855], ['B', ' CB ', 257.508, 240.157, 251.27], ['B', ' OG ', 258.046, 238.912, 250.863]]
[['B', ' N ', 255.231, 238.967, 252.909], ['B', ' CA ', 254.537, 237.873, 253.571], ['B', ' C ', 253.072, 237.843, 253.174], ['B', ' O ', 252.509, 236.774, 252.927], ['B', ' CB ', 254.669, 238.014, 255.086], ['B', ' CG ', 256.096, 238.23, 255.528], ['B', ' ND2', 256.851, 237.145, 255.637], ['B', ' OD1', 256.515, 239.36, 255.781]]
[['B', ' N ', 252.443, 239.006, 253.099], ['B', ' CA ', 251.018, 239.101, 252.844], ['B', ' C ', 250.682, 239.025, 251.366], ['B', ' O ', 249.53, 239.257, 250.996], ['B', ' CB ', 250.462, 240.392, 253.444], ['B', ' CG ', 250.238, 240.4, 254.957], ['B', ' CD1', 251.541, 240.433, 255.734], ['B', ' CD2', 249.373, 241.58, 255.336]]
[['B', ' N ', 251.657, 238.715, 250.516], ['B', ' CA ', 251.41, 238.513, 249.094], ['B', ' C ', 251.959, 237.205, 248.558], ['B', ' O ', 251.478, 236.74, 247.52], ['B', ' CB ', 251.995, 239.669, 248.273], ['B', ' CG ', 251.6, 239.734, 246.8], ['B', ' CD1', 250.094, 239.758, 246.666], ['B', ' CD2', 252.212, 240.948, 246.145]]
[['B', ' N ', 252.945, 236.595, 249.215], ['B', ' CA ', 253.317, 235.235, 248.855], ['B', ' C ', 252.199, 234.245, 249.141], ['B', ' O ', 252.212, 233.139, 248.591], ['B', ' CB ', 254.575, 234.814, 249.601], ['B', ' CG ', 255.845, 235.545, 249.192], ['B', ' CD1', 256.995, 235.123, 250.082], ['B', ' CD2', 256.161, 235.28, 247.733]]
[['B', ' N ', 251.245, 234.607, 250.001], ['B', ' CA ', 250.099, 233.742, 250.255], ['B', ' C ', 249.362, 233.438, 248.962], ['B', ' O ', 249.242, 232.278, 248.556], ['B', ' CB ', 249.16, 234.398, 251.264], ['B', ' CG ', 249.841, 234.997, 252.481], ['B', ' CD ', 250.667, 233.999, 253.271], ['B', ' NE2', 250.2, 233.673, 254.469], ['B', ' OE1', 251.719, 233.542, 252.824]]
[['B', ' N ', 248.869, 234.475, 248.294], ['B', ' CA ', 248.266, 234.297, 246.984], ['B', ' C ', 249.283, 233.679, 246.038], ['B', ' O ', 250.486, 233.924, 246.141], ['B', ' CB ', 247.777, 235.637, 246.441], ['B', ' CG ', 246.852, 236.37, 247.381], ['B', ' CD1', 245.513, 236.046, 247.461], ['B', ' CD2', 247.326, 237.384, 248.191], ['B', ' CE1', 244.675, 236.716, 248.317], ['B', ' CE2', 246.496, 238.054, 249.048], ['B', ' CZ ', 245.176, 237.72, 249.108], ['B', ' OH ', 244.352, 238.394, 249.97]]
[['B', ' N ', 248.8, 232.862, 245.116], ['B', ' CA ', 249.708, 232.031, 244.359], ['B', ' C ', 250.324, 232.708, 243.157], ['B', ' O ', 250.902, 233.792, 243.265]]
[['B', ' N ', 250.206, 232.07, 242.003], ['B', ' CA ', 250.831, 232.547, 240.776], ['B', ' C ', 249.995, 233.619, 240.087], ['B', ' O ', 249.722, 233.532, 238.894], ['B', ' CB ', 251.072, 231.364, 239.85], ['B', ' OG ', 251.395, 231.787, 238.542]]
[['B', ' N ', 249.575, 234.643, 240.83], ['B', ' CA ', 248.868, 235.753, 240.202], ['B', ' C ', 249.828, 236.64, 239.428], ['B', ' O ', 249.552, 237.029, 238.282], ['B', ' CB ', 248.126, 236.579, 241.25], ['B', ' CG ', 246.78, 236.03, 241.614], ['B', ' CD1', 245.832, 235.785, 240.639], ['B', ' CD2', 246.451, 235.78, 242.934], ['B', ' CE1', 244.593, 235.281, 240.971], ['B', ' CE2', 245.213, 235.28, 243.269], ['B', ' CZ ', 244.285, 235.032, 242.287]]
[['B', ' N ', 250.972, 236.949, 240.038], ['B', ' CA ', 251.901, 237.895, 239.437], ['B', ' C ', 252.355, 237.435, 238.065], ['B', ' O ', 252.306, 238.199, 237.098], ['B', ' CB ', 253.119, 238.092, 240.325], ['B', ' SG ', 254.307, 239.102, 239.454]]
[['B', ' N ', 252.819, 236.199, 237.96], ['B', ' CA ', 253.377, 235.748, 236.7], ['B', ' C ', 252.307, 235.279, 235.73], ['B', ' O ', 252.64, 234.896, 234.607], ['B', ' CB ', 254.41, 234.645, 236.933], ['B', ' CG2', 253.738, 233.385, 237.396], ['B', ' OG1', 255.107, 234.378, 235.712]]
[['B', ' N ', 251.038, 235.28, 236.133], ['B', ' CA ', 249.967, 235.242, 235.144], ['B', ' C ', 249.788, 236.608, 234.502], ['B', ' O ', 249.662, 236.725, 233.274], ['B', ' CB ', 248.654, 234.801, 235.785], ['B', ' CG ', 248.46, 233.312, 235.922], ['B', ' CD ', 247.077, 232.974, 236.441], ['B', ' NE2', 246.307, 234.001, 236.771], ['B', ' OE1', 246.701, 231.808, 236.536]]
[['B', ' N ', 249.765, 237.656, 235.328], ['B', ' CA ', 249.577, 238.996, 234.785], ['B', ' C ', 250.778, 239.44, 233.963], ['B', ' O ', 250.613, 240.126, 232.951], ['B', ' CB ', 249.298, 239.982, 235.912], ['B', ' CG ', 248.225, 239.539, 236.901], ['B', ' CD1', 247.81, 240.697, 237.769], ['B', ' CD2', 247.02, 238.986, 236.172]]
[['B', ' N ', 251.982, 239.056, 234.369], ['B', ' CA ', 253.193, 239.379, 233.635], ['B', ' C ', 253.438, 238.445, 232.47], ['B', ' O ', 254.436, 238.605, 231.766], ['B', ' CB ', 254.402, 239.361, 234.565], ['B', ' CG ', 254.586, 240.665, 235.292], ['B', ' ND2', 255.811, 241.175, 235.295], ['B', ' OD1', 253.64, 241.213, 235.849]]
[['B', ' N ', 252.57, 237.464, 232.26], ['B', ' CA ', 252.647, 236.612, 231.088], ['B', ' C ', 251.583, 236.923, 230.053], ['B', ' O ', 251.823, 236.7, 228.864], ['B', ' CB ', 252.533, 235.136, 231.492], ['B', ' CG ', 252.9, 234.145, 230.415], ['B', ' CD ', 252.34, 232.772, 230.745], ['B', ' NE ', 252.393, 232.489, 232.176], ['B', ' CZ ', 253.511, 232.279, 232.865], ['B', ' NH1', 254.689, 232.316, 232.262], ['B', ' NH2', 253.45, 232.03, 234.164]]
[['B', ' N ', 250.422, 237.426, 230.464], ['B', ' CA ', 249.439, 237.87, 229.482], ['B', ' C ', 249.888, 239.145, 228.78], ['B', ' O ', 249.724, 239.288, 227.557], ['B', ' CB ', 248.089, 238.086, 230.156]]
[['B', ' N ', 250.446, 240.083, 229.543], ['B', ' CA ', 250.851, 241.362, 228.984], ['B', ' C ', 251.944, 241.219, 227.939], ['B', ' O ', 251.88, 241.894, 226.911], ['B', ' CB ', 251.306, 242.297, 230.099], ['B', ' CG ', 250.151, 242.884, 230.905], ['B', ' CD1', 250.655, 243.578, 232.144], ['B', ' CD2', 249.341, 243.834, 230.056]]
[['B', ' N ', 252.937, 240.361, 228.162], ['B', ' CA ', 253.965, 240.168, 227.147], ['B', ' C ', 253.432, 239.483, 225.901], ['B', ' O ', 253.907, 239.771, 224.801], ['B', ' CB ', 255.137, 239.36, 227.7], ['B', ' CG2', 255.518, 239.852, 229.078], ['B', ' OG1', 254.776, 237.977, 227.762]]
[['B', ' N ', 252.457, 238.586, 226.039], ['B', ' CA ', 251.821, 238.031, 224.855], ['B', ' C ', 251.146, 239.102, 224.023], ['B', ' O ', 251.31, 239.157, 222.797]]
[['B', ' N ', 250.391, 239.985, 224.682], ['B', ' CA ', 249.791, 241.102, 223.953], ['B', ' C ', 250.873, 241.965, 223.324], ['B', ' O ', 250.761, 242.381, 222.165], ['B', ' CB ', 248.88, 241.939, 224.866], ['B', ' CG1', 247.666, 241.134, 225.301], ['B', ' CG2', 248.423, 243.184, 224.155], ['B', ' CD1', 246.863, 241.823, 226.363]]
[['B', ' N ', 251.936, 242.247, 224.076], ['B', ' CA ', 252.97, 243.148, 223.587], ['B', ' C ', 253.671, 242.576, 222.366], ['B', ' O ', 254.044, 243.318, 221.453], ['B', ' CB ', 253.975, 243.44, 224.696]]
[['B', ' N ', 253.873, 241.261, 222.334], ['B', ' CA ', 254.563, 240.669, 221.196], ['B', ' C ', 253.635, 240.57, 219.992], ['B', ' O ', 254.074, 240.732, 218.847], ['B', ' CB ', 255.172, 239.306, 221.571], ['B', ' CG1', 254.112, 238.232, 221.673], ['B', ' CG2', 256.212, 238.915, 220.551]]
[['B', ' N ', 252.34, 240.313, 220.208], ['B', ' CA ', 251.477, 240.232, 219.033], ['B', ' C ', 251.222, 241.61, 218.443], ['B', ' O ', 251.049, 241.74, 217.224], ['B', ' CB ', 250.152, 239.547, 219.35], ['B', ' CG ', 249.256, 240.292, 220.297], ['B', ' CD ', 247.831, 239.792, 220.231], ['B', ' OE1', 247.625, 238.566, 220.32], ['B', ' OE2', 246.914, 240.624, 220.071]]
[['B', ' N ', 251.225, 242.65, 219.277], ['B', ' CA ', 251.018, 243.994, 218.759], ['B', ' C ', 252.156, 244.449, 217.883], ['B', ' O ', 252.045, 245.489, 217.228], ['B', ' CB ', 250.824, 244.986, 219.901], ['B', ' CG ', 249.541, 244.8, 220.668], ['B', ' CD ', 248.304, 244.885, 219.805], ['B', ' NE2', 247.173, 244.5, 220.37], ['B', ' OE1', 248.356, 245.288, 218.648]]
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[['B', ' N ', 254.987, 256.972, 235.565], ['B', ' CA ', 255.822, 255.893, 236.069], ['B', ' C ', 255.515, 255.61, 237.529], ['B', ' O ', 255.858, 256.39, 238.415], ['B', ' CB ', 257.298, 256.233, 235.901], ['B', ' CG ', 257.819, 256.006, 234.512], ['B', ' CD1', 256.953, 255.891, 233.439], ['B', ' CD2', 259.178, 255.895, 234.281], ['B', ' CE1', 257.43, 255.68, 232.164], ['B', ' CE2', 259.659, 255.681, 233.01], ['B', ' CZ ', 258.783, 255.574, 231.949]]
[['B', ' N ', 254.851, 254.484, 237.765], ['B', ' CA ', 254.476, 254.056, 239.105], ['B', ' C ', 254.628, 252.55, 239.28], ['B', ' O ', 254.32, 252.027, 240.355], ['B', ' CB ', 253.03, 254.496, 239.39], ['B', ' CG ', 252.523, 254.02, 240.72], ['B', ' ND2', 253.417, 253.911, 241.691], ['B', ' OD1', 251.342, 253.735, 240.873]]
[['B', ' N ', 255.149, 251.855, 238.279], ['B', ' CA ', 255.062, 250.416, 238.167], ['B', ' C ', 254.628, 250.111, 236.752], ['B', ' O ', 254.362, 248.963, 236.392]]
[['B', ' N ', 254.555, 251.162, 235.943], ['B', ' CA ', 254.114, 251.083, 234.561], ['B', ' C ', 255.293, 251.356, 233.641], ['B', ' O ', 256.042, 252.311, 233.855], ['B', ' CB ', 253.004, 252.096, 234.301], ['B', ' CG ', 251.852, 252.075, 235.302], ['B', ' CD1', 251.108, 253.397, 235.282], ['B', ' CD2', 250.908, 250.936, 235.005]]
[['B', ' N ', 255.457, 250.521, 232.624], ['B', ' CA ', 256.536, 250.671, 231.661], ['B', ' C ', 255.968, 250.654, 230.252], ['B', ' O ', 255.005, 249.937, 229.972], ['B', ' CB ', 257.568, 249.561, 231.799], ['B', ' CG2', 257.923, 249.339, 233.256], ['B', ' OG1', 257.035, 248.35, 231.251]]
[['B', ' N ', 256.577, 251.435, 229.368], ['B', ' CA ', 256.126, 251.582, 227.992], ['B', ' C ', 257.28, 251.166, 227.095], ['B', ' O ', 258.218, 251.939, 226.88], ['B', ' CB ', 255.68, 253.011, 227.685], ['B', ' CG1', 255.223, 253.11, 226.253], ['B', ' CG2', 254.579, 253.421, 228.628]]
[['B', ' N ', 257.215, 249.954, 226.557], ['B', ' CA ', 258.29, 249.459, 225.713], ['B', ' C ', 258.203, 250.078, 224.317], ['B', ' O ', 257.118, 250.429, 223.853], ['B', ' CB ', 258.225, 247.94, 225.62], ['B', ' CG ', 257.918, 247.226, 226.936], ['B', ' CD1', 257.952, 245.725, 226.753], ['B', ' CD2', 258.898, 247.643, 228.01]]
[['B', ' N ', 259.33, 250.229, 223.631], ['B', ' CA ', 259.313, 250.83, 222.298], ['B', ' C ', 258.961, 249.805, 221.237], ['B', ' O ', 259.193, 248.602, 221.42], ['B', ' CB ', 260.752, 251.328, 222.127], ['B', ' CG ', 261.542, 250.35, 222.897], ['B', ' CD ', 260.702, 249.964, 224.089]]
[['B', ' N ', 258.41, 250.24, 220.109], ['B', ' CA ', 258.11, 249.306, 219.022], ['B', ' C ', 259.385, 248.775, 218.392], ['B', ' O ', 260.455, 249.373, 218.481], ['B', ' CB ', 257.314, 250.159, 218.036], ['B', ' CG ', 257.761, 251.548, 218.31], ['B', ' CD ', 258.01, 251.615, 219.78]]
[['B', ' N ', 259.258, 247.621, 217.744], ['B', ' CA ', 260.403, 246.984, 217.105], ['B', ' C ', 260.81, 247.688, 215.82], ['B', ' O ', 262.004, 247.803, 215.533], ['B', ' CB ', 260.087, 245.515, 216.824], ['B', ' CG ', 261.129, 244.502, 216.387], ['B', ' CD1', 260.72, 243.166, 216.937], ['B', ' CD2', 261.166, 244.427, 214.893]]
[['B', ' N ', 259.846, 248.161, 215.039], ['B', ' CA ', 260.12, 248.917, 213.824], ['B', ' C ', 259.922, 250.392, 214.136], ['B', ' O ', 258.808, 250.819, 214.451], ['B', ' CB ', 259.204, 248.485, 212.684], ['B', ' CG ', 259.3, 247.06, 212.162], ['B', ' CD1', 258.582, 246.957, 210.834], ['B', ' CD2', 260.741, 246.662, 212.025]]
[['B', ' N ', 260.994, 251.17, 214.044], ['B', ' CA ', 260.857, 252.599, 214.246], ['B', ' C ', 260.081, 253.218, 213.088], ['B', ' O ', 259.841, 252.596, 212.053], ['B', ' CB ', 262.221, 253.265, 214.388], ['B', ' CG2', 262.813, 252.958, 215.74], ['B', ' OG1', 263.1, 252.792, 213.366]]
[['B', ' N ', 259.69, 254.473, 213.279], ['B', ' CA ', 258.839, 255.152, 212.318], ['B', ' C ', 259.513, 255.362, 210.97], ['B', ' O ', 258.819, 255.681, 210.004], ['B', ' CB ', 258.397, 256.487, 212.904], ['B', ' CG ', 257.445, 256.316, 214.074], ['B', ' OD1', 256.708, 255.307, 214.098], ['B', ' OD2', 257.443, 257.175, 214.98]]
[['B', ' N ', 260.835, 255.203, 210.88], ['B', ' CA ', 261.5, 255.301, 209.586], ['B', ' C ', 261.391, 254.004, 208.795], ['B', ' O ', 261.269, 254.036, 207.567], ['B', ' CB ', 262.972, 255.675, 209.754], ['B', ' CG ', 263.229, 256.848, 210.67], ['B', ' CD ', 263.794, 256.417, 212.0], ['B', ' OE1', 263.803, 255.201, 212.272], ['B', ' OE2', 264.233, 257.292, 212.773]]
[['B', ' N ', 261.454, 252.854, 209.466], ['B', ' CA ', 261.401, 251.592, 208.738], ['B', ' C ', 260.032, 251.359, 208.118], ['B', ' O ', 259.932, 250.861, 206.991], ['B', ' CB ', 261.785, 250.436, 209.653], ['B', ' CG ', 263.222, 250.002, 209.484], ['B', ' SD ', 263.84, 248.946, 210.801], ['B', ' CE ', 263.988, 250.134, 212.119]]
[['B', ' N ', 258.963, 251.703, 208.835], ['B', ' CA ', 257.632, 251.6, 208.249], ['B', ' C ', 257.514, 252.533, 207.054], ['B', ' O ', 256.949, 252.172, 206.016], ['B', ' CB ', 256.555, 251.889, 209.307], ['B', ' CG1', 256.616, 250.86, 210.424], ['B', ' CG2', 255.193, 251.849, 208.691], ['B', ' CD1', 255.738, 251.205, 211.585]]
[['B', ' N ', 258.055, 253.743, 207.176], ['B', ' CA ', 258.013, 254.687, 206.072], ['B', ' C ', 258.828, 254.217, 204.884], ['B', ' O ', 258.511, 254.581, 203.75], ['B', ' CB ', 258.513, 256.052, 206.528]]
[['B', ' N ', 259.876, 253.436, 205.115], ['B', ' CA ', 260.64, 252.878, 204.01], ['B', ' C ', 259.938, 251.697, 203.354], ['B', ' O ', 260.004, 251.553, 202.13], ['B', ' CB ', 262.033, 252.468, 204.488], ['B', ' CG ', 263.055, 252.358, 203.378], ['B', ' CD ', 264.472, 252.56, 203.868], ['B', ' NE2', 264.879, 253.814, 204.0], ['B', ' OE1', 265.199, 251.6, 204.109]]
[['B', ' N ', 259.258, 250.851, 204.132], ['B', ' CA ', 258.401, 249.837, 203.522], ['B', ' C ', 257.313, 250.461, 202.662], ['B', ' O ', 257.061, 250.001, 201.542], ['B', ' CB ', 257.766, 248.938, 204.58], ['B', ' CG ', 258.68, 247.93, 205.223], ['B', ' CD1', 259.897, 247.61, 204.66], ['B', ' CD2', 258.3, 247.265, 206.371], ['B', ' CE1', 260.714, 246.675, 205.232], ['B', ' CE2', 259.112, 246.332, 206.951], ['B', ' CZ ', 260.317, 246.04, 206.379], ['B', ' OH ', 261.132, 245.103, 206.962]]
[['B', ' N ', 256.632, 251.483, 203.174], ['B', ' CA ', 255.552, 252.087, 202.407], ['B', ' C ', 256.05, 252.912, 201.236], ['B', ' O ', 255.239, 253.308, 200.397], ['B', ' CB ', 254.669, 252.961, 203.289], ['B', ' CG2', 254.239, 252.206, 204.518], ['B', ' OG1', 255.39, 254.136, 203.666]]
[['B', ' N ', 257.347, 253.195, 201.161], ['B', ' CA ', 257.919, 253.772, 199.959], ['B', ' C ', 258.398, 252.723, 198.979], ['B', ' O ', 258.342, 252.962, 197.773], ['B', ' CB ', 259.091, 254.69, 200.307], ['B', ' OG ', 260.282, 253.944, 200.43]]
[['B', ' N ', 258.853, 251.567, 199.464], ['B', ' CA ', 259.174, 250.463, 198.567], ['B', ' C ', 257.926, 249.963, 197.861], ['B', ' O ', 257.917, 249.794, 196.638], ['B', ' CB ', 259.836, 249.329, 199.343]]
[['B', ' N ', 256.862, 249.714, 198.622], ['B', ' CA ', 255.61, 249.275, 198.023], ['B', ' C ', 255.006, 250.328, 197.12], ['B', ' O ', 254.187, 249.994, 196.262], ['B', ' CB ', 254.624, 248.889, 199.113], ['B', ' CG ', 254.975, 247.497, 199.592], ['B', ' CD1', 254.321, 247.203, 200.883], ['B', ' CD2', 254.48, 246.541, 198.546]]
[['B', ' N ', 255.395, 251.584, 197.286], ['B', ' CA ', 254.903, 252.649, 196.431], ['B', ' C ', 255.712, 252.783, 195.157], ['B', ' O ', 255.138, 253.01, 194.09], ['B', ' CB ', 254.923, 253.969, 197.192], ['B', ' CG ', 253.823, 254.932, 196.807], ['B', ' CD1', 252.522, 254.287, 197.116], ['B', ' CD2', 253.98, 256.191, 197.615]]
[['B', ' N ', 257.024, 252.632, 195.242], ['B', ' CA ', 257.891, 252.701, 194.082], ['B', ' C ', 257.892, 251.418, 193.278], ['B', ' O ', 258.392, 251.412, 192.151], ['B', ' CB ', 259.316, 253.027, 194.515]]
[['B', ' N ', 257.364, 250.333, 193.829], ['B', ' CA ', 257.262, 249.092, 193.099], ['B', ' C ', 255.988, 248.929, 192.309], ['B', ' O ', 255.955, 248.117, 191.379]]
[['B', ' N ', 254.95, 249.686, 192.627], ['B', ' CA ', 253.692, 249.644, 191.903], ['B', ' C ', 253.599, 250.694, 190.818], ['B', ' O ', 253.036, 250.424, 189.758], ['B', ' CB ', 252.528, 249.824, 192.884], ['B', ' CG2', 251.194, 249.807, 192.165], ['B', ' OG1', 252.563, 248.765, 193.846]]
[['B', ' N ', 254.154, 251.882, 191.054], ['B', ' CA ', 254.231, 252.915, 190.039], ['B', ' C ', 255.102, 252.487, 188.873], ['B', ' O ', 254.907, 252.96, 187.75], ['B', ' CB ', 254.76, 254.201, 190.688], ['B', ' CG1', 253.787, 254.673, 191.76], ['B', ' CG2', 254.965, 255.275, 189.661], ['B', ' CD1', 254.333, 255.765, 192.626]]
[['B', ' N ', 256.051, 251.587, 189.102], ['B', ' CA ', 257.015, 251.21, 188.086], ['B', ' C ', 256.845, 249.803, 187.54], ['B', ' O ', 257.409, 249.511, 186.483], ['B', ' CB ', 258.44, 251.339, 188.638], ['B', ' CG2', 258.668, 252.722, 189.186], ['B', ' OG1', 258.622, 250.389, 189.689]]
[['B', ' N ', 256.093, 248.925, 188.206], ['B', ' CA ', 256.082, 247.52, 187.823], ['B', ' C ', 254.715, 246.852, 187.76], ['B', ' O ', 254.629, 245.747, 187.221], ['B', ' CB ', 256.966, 246.707, 188.773], ['B', ' OG ', 256.929, 245.344, 188.419]]
[['B', ' N ', 253.66, 247.453, 188.295], ['B', ' CA ', 252.328, 246.896, 188.127], ['B', ' C ', 252.008, 245.655, 188.936], ['B', ' O ', 252.417, 245.536, 190.092]]
[['B', ' N ', 251.264, 244.723, 188.331], ['B', ' CA ', 250.809, 243.528, 189.035], ['B', ' C ', 251.954, 242.703, 189.578], ['B', ' O ', 251.777, 241.997, 190.574], ['B', ' CB ', 250.04, 242.588, 188.112], ['B', ' CG ', 248.741, 243.06, 187.61], ['B', ' CD1', 247.523, 242.9, 188.193], ['B', ' CD2', 248.508, 243.693, 186.356], ['B', ' CE2', 247.127, 243.93, 186.259], ['B', ' CE3', 249.34, 244.106, 185.312], ['B', ' NE1', 246.545, 243.44, 187.398], ['B', ' CZ2', 246.559, 244.56, 185.162], ['B', ' CZ3', 248.779, 244.729, 184.229], ['B', ' CH2', 247.4, 244.951, 184.157]]
[['B', ' N ', 253.117, 242.766, 188.94], ['B', ' CA ', 254.032, 241.638, 188.955], ['B', ' C ', 255.327, 241.891, 189.704], ['B', ' O ', 256.4, 241.481, 189.258], ['B', ' CB ', 254.324, 241.216, 187.518], ['B', ' CG2', 254.997, 242.331, 186.746], ['B', ' OG1', 255.136, 240.037, 187.52]]
[['B', ' N ', 255.238, 242.535, 190.859], ['B', ' CA ', 256.331, 242.497, 191.816], ['B', ' C ', 255.921, 241.767, 193.085], ['B', ' O ', 256.69, 241.75, 194.052], ['B', ' CB ', 256.83, 243.902, 192.147], ['B', ' CG ', 255.976, 244.63, 193.12], ['B', ' CD1', 254.725, 245.073, 192.762], ['B', ' CD2', 256.427, 244.872, 194.396], ['B', ' CE1', 253.942, 245.75, 193.655], ['B', ' CE2', 255.652, 245.543, 195.293], ['B', ' CZ ', 254.405, 245.984, 194.924]]
[['B', ' N ', 254.735, 241.164, 193.103], ['B', ' CA ', 254.32, 240.313, 194.197], ['B', ' C ', 254.457, 238.852, 193.833], ['B', ' O ', 254.675, 238.003, 194.701]]
[['B', ' N ', 254.319, 238.551, 192.545], ['B', ' CA ', 254.555, 237.204, 192.044], ['B', ' C ', 256.016, 236.813, 192.222], ['B', ' O ', 256.335, 235.88, 192.963], ['B', ' CB ', 254.152, 237.103, 190.573]]
[['B', ' N ', 256.907, 237.528, 191.548], ['B', ' CA ', 258.326, 237.269, 191.648], ['B', ' C ', 259.132, 238.54, 191.513], ['B', ' O ', 258.802, 239.553, 192.131]]
[['B', ' N ', 260.185, 238.504, 190.703], ['B', ' CA ', 260.98, 239.694, 190.458], ['B', ' C ', 260.122, 240.753, 189.777], ['B', ' O ', 259.096, 240.461, 189.16], ['B', ' CB ', 262.205, 239.352, 189.613]]
[['B', ' N ', 260.548, 242.003, 189.887], ['B', ' CA ', 259.769, 243.13, 189.401], ['B', ' C ', 260.016, 243.312, 187.913], ['B', ' O ', 261.165, 243.44, 187.48], ['B', ' CB ', 260.125, 244.405, 190.163]]
[['B', ' N ', 258.94, 243.314, 187.136], ['B', ' CA ', 259.007, 243.503, 185.696], ['B', ' C ', 258.52, 244.903, 185.361], ['B', ' O ', 257.393, 245.274, 185.701], ['B', ' CB ', 258.173, 242.457, 184.961], ['B', ' CG ', 258.4, 241.002, 185.349], ['B', ' CD1', 257.362, 240.137, 184.678], ['B', ' CD2', 259.786, 240.566, 184.961]]
[['B', ' N ', 259.372, 245.669, 184.695], ['B', ' CA ', 259.032, 247.016, 184.27], ['B', ' C ', 257.92, 246.996, 183.23], ['B', ' O ', 257.71, 245.995, 182.545], ['B', ' CB ', 260.278, 247.671, 183.703], ['B', ' CG ', 260.77, 246.944, 182.488], ['B', ' CD ', 262.23, 247.156, 182.244], ['B', ' NE2', 262.956, 246.067, 182.071], ['B', ' OE1', 262.712, 248.28, 182.229]]
[['B', ' N ', 257.195, 248.106, 183.13], ['B', ' CA ', 256.171, 248.314, 182.105], ['B', ' C ', 255.829, 249.799, 182.1], ['B', ' O ', 255.676, 250.389, 183.176], ['B', ' CB ', 254.934, 247.435, 182.354], ['B', ' CG1', 253.901, 247.615, 181.248], ['B', ' CG2', 254.321, 247.725, 183.698], ['B', ' CD1', 252.954, 246.461, 181.109]]
[['B', ' N ', 255.739, 250.454, 180.942], ['B', ' CA ', 255.463, 251.897, 180.939], ['B', ' C ', 254.121, 252.184, 181.591], ['B', ' O ', 253.162, 251.436, 181.414], ['B', ' CB ', 255.458, 252.264, 179.453], ['B', ' CG ', 255.976, 251.103, 178.743], ['B', ' CD ', 255.803, 249.905, 179.584]]
[['B', ' N ', 254.057, 253.28, 182.346], ['B', ' CA ', 252.892, 253.51, 183.192], ['B', ' C ', 251.62, 253.654, 182.375], ['B', ' O ', 250.55, 253.205, 182.8], ['B', ' CB ', 253.088, 254.747, 184.055], ['B', ' CG ', 252.09, 254.864, 185.151], ['B', ' CD1', 252.294, 254.227, 186.351], ['B', ' CD2', 250.94, 255.594, 184.978], ['B', ' CE1', 251.379, 254.323, 187.361], ['B', ' CE2', 250.019, 255.689, 185.987], ['B', ' CZ ', 250.24, 255.054, 187.179]]
[['B', ' N ', 251.704, 254.31, 181.219], ['B', ' CA ', 250.52, 254.455, 180.385], ['B', ' C ', 249.916, 253.1, 180.077], ['B', ' O ', 248.71, 252.894, 180.245], ['B', ' CB ', 250.869, 255.194, 179.095]]
[['B', ' N ', 250.746, 252.147, 179.668], ['B', ' CA ', 250.243, 250.813, 179.386], ['B', ' C ', 249.759, 250.111, 180.641], ['B', ' O ', 248.843, 249.293, 180.563], ['B', ' CB ', 251.317, 249.978, 178.701], ['B', ' CG ', 251.634, 250.433, 177.305], ['B', ' SD ', 253.248, 249.851, 176.796], ['B', ' CE ', 252.96, 248.087, 176.8]]
[['B', ' N ', 250.346, 250.403, 181.798], ['B', ' CA ', 249.855, 249.798, 183.029], ['B', ' C ', 248.428, 250.235, 183.31], ['B', ' O ', 247.536, 249.403, 183.52], ['B', ' CB ', 250.76, 250.167, 184.197], ['B', ' CG ', 250.464, 249.389, 185.446], ['B', ' CD ', 251.002, 250.063, 186.68], ['B', ' NE2', 252.303, 249.961, 186.883], ['B', ' OE1', 250.259, 250.678, 187.441]]
[['B', ' N ', 248.186, 251.542, 183.298], ['B', ' CA ', 246.85, 252.075, 183.496], ['B', ' C ', 245.891, 251.661, 182.389], ['B', ' O ', 244.685, 251.565, 182.631], ['B', ' CB ', 246.9, 253.596, 183.605], ['B', ' CG ', 245.55, 254.234, 183.841], ['B', ' SD ', 244.958, 254.033, 185.526], ['B', ' CE ', 246.412, 254.508, 186.448]]
[['B', ' N ', 246.396, 251.397, 181.19], ['B', ' CA ', 245.563, 250.919, 180.099], ['B', ' C ', 245.186, 249.463, 180.216], ['B', ' O ', 244.075, 249.099, 179.847], ['B', ' CB ', 246.269, 251.118, 178.757]]
[['B', ' N ', 246.08, 248.623, 180.699], ['B', ' CA ', 245.785, 247.217, 180.883], ['B', ' C ', 245.129, 246.96, 182.22], ['B', ' O ', 244.799, 245.812, 182.525], ['B', ' CB ', 247.065, 246.397, 180.742], ['B', ' CG ', 247.646, 246.46, 179.343], ['B', ' CD1', 246.878, 246.901, 178.272], ['B', ' CD2', 248.956, 246.095, 179.094], ['B', ' CE1', 247.398, 246.966, 176.997], ['B', ' CE2', 249.48, 246.151, 177.822], ['B', ' CZ ', 248.699, 246.59, 176.779], ['B', ' OH ', 249.223, 246.653, 175.51]]
[['B', ' N ', 244.964, 248.001, 183.03], ['B', ' CA ', 244.083, 247.915, 184.184], ['B', ' C ', 242.626, 248.185, 183.843], ['B', ' O ', 241.743, 247.635, 184.506], ['B', ' CB ', 244.534, 248.879, 185.274], ['B', ' CG ', 245.512, 248.251, 186.228], ['B', ' CD ', 246.161, 249.286, 187.091], ['B', ' NE ', 247.321, 248.769, 187.796], ['B', ' CZ ', 247.253, 247.934, 188.822], ['B', ' NH1', 246.079, 247.52, 189.261], ['B', ' NH2', 248.358, 247.516, 189.414]]
[['B', ' N ', 242.339, 249.02, 182.839], ['B', ' CA ', 240.957, 249.142, 182.387], ['B', ' C ', 240.453, 247.827, 181.831], ['B', ' O ', 239.341, 247.393, 182.149], ['B', ' CB ', 240.798, 250.22, 181.32], ['B', ' CG ', 240.792, 251.611, 181.85], ['B', ' CD1', 240.72, 251.852, 183.197], ['B', ' CD2', 240.761, 252.68, 180.986], ['B', ' CE1', 240.695, 253.131, 183.671], ['B', ' CE2', 240.723, 253.954, 181.46], ['B', ' CZ ', 240.689, 254.18, 182.8]]
[['B', ' N ', 241.26, 247.171, 181.007], ['B', ' CA ', 240.832, 245.939, 180.368], ['B', ' C ', 240.438, 244.883, 181.39], ['B', ' O ', 239.887, 243.845, 181.015], ['B', ' CB ', 241.95, 245.431, 179.463], ['B', ' CG ', 241.433, 244.798, 178.206], ['B', ' ND2', 242.342, 244.381, 177.341], ['B', ' OD1', 240.23, 244.7, 177.999]]
[['B', ' N ', 240.712, 245.127, 182.671], ['B', ' CA ', 240.2, 244.251, 183.707], ['B', ' C ', 238.771, 244.582, 184.093], ['B', ' O ', 237.912, 243.7, 184.146]]
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[['B', ' N ', 244.67, 253.702, 243.089], ['B', ' CA ', 245.545, 253.494, 244.233], ['B', ' C ', 245.083, 254.292, 245.44], ['B', ' O ', 245.395, 253.927, 246.576], ['B', ' CB ', 246.981, 253.86, 243.882], ['B', ' CG ', 247.701, 252.745, 243.144], ['B', ' CD1', 249.15, 253.094, 242.963], ['B', ' CD2', 247.557, 251.458, 243.921]]
[['B', ' N ', 244.353, 255.379, 245.214], ['B', ' CA ', 243.814, 256.187, 246.301], ['B', ' C ', 242.355, 255.803, 246.532], ['B', ' O ', 241.419, 256.51, 246.16], ['B', ' CB ', 243.958, 257.667, 245.983], ['B', ' OG ', 243.179, 258.011, 244.852]]
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[['B', ' N ', 239.231, 250.819, 249.759], ['B', ' CA ', 238.707, 249.489, 249.469], ['B', ' C ', 238.016, 248.854, 250.664], ['B', ' O ', 237.646, 247.679, 250.603], ['B', ' CB ', 239.797, 248.552, 248.949], ['B', ' CG ', 240.096, 248.723, 247.494], ['B', ' CD1', 239.083, 248.725, 246.564], ['B', ' CD2', 241.391, 248.88, 247.058], ['B', ' CE1', 239.36, 248.88, 245.231], ['B', ' CE2', 241.669, 249.034, 245.727], ['B', ' CZ ', 240.655, 249.033, 244.813]]
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[['B', ' N ', 242.866, 252.99, 256.039], ['B', ' CA ', 243.583, 253.995, 255.273], ['B', ' C ', 243.98, 253.424, 253.924], ['B', ' O ', 243.951, 252.213, 253.703], ['B', ' CB ', 244.828, 254.484, 256.012], ['B', ' OG ', 245.657, 255.242, 255.151]]
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[['B', ' N ', 249.915, 253.299, 252.546], ['B', ' CA ', 250.428, 252.08, 253.16], ['B', ' C ', 251.225, 252.385, 254.422], ['B', ' O ', 251.021, 251.756, 255.467], ['B', ' CB ', 251.284, 251.313, 252.158], ['B', ' CG ', 251.586, 249.894, 252.615], ['B', ' CD1', 250.285, 249.166, 252.867], ['B', ' CD2', 252.412, 249.164, 251.582]]
[['B', ' N ', 252.128, 253.364, 254.346], ['B', ' CA ', 252.991, 253.666, 255.481], ['B', ' C ', 252.188, 254.068, 256.71], ['B', ' O ', 252.594, 253.772, 257.84], ['B', ' CB ', 253.976, 254.771, 255.106], ['B', ' CG ', 254.96, 254.333, 254.045], ['B', ' ND2', 255.275, 255.232, 253.12], ['B', ' OD1', 255.441, 253.201, 254.061]]
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[['B', ' N ', 249.179, 252.954, 257.717], ['B', ' CA ', 248.754, 251.738, 258.4], ['B', ' C ', 249.95, 251.052, 259.038], ['B', ' O ', 249.884, 250.592, 260.184], ['B', ' CB ', 248.027, 250.793, 257.429], ['B', ' CG1', 246.756, 251.432, 256.898], ['B', ' CG2', 247.667, 249.502, 258.126], ['B', ' CD1', 246.158, 250.655, 255.76]]
[['B', ' N ', 251.065, 250.98, 258.307], ['B', ' CA ', 252.277, 250.325, 258.788], ['B', ' C ', 252.752, 250.909, 260.111], ['B', ' O ', 253.296, 250.193, 260.957], ['B', ' CB ', 253.385, 250.439, 257.745], ['B', ' CG ', 253.569, 249.231, 256.831], ['B', ' CD1', 252.323, 248.981, 256.016], ['B', ' CD2', 254.777, 249.427, 255.924]]
[['B', ' N ', 252.551, 252.204, 260.294], ['B', ' CA ', 252.961, 252.875, 261.519], ['B', ' C ', 251.907, 252.838, 262.612], ['B', ' O ', 252.237, 252.567, 263.768], ['B', ' CB ', 253.331, 254.335, 261.221]]
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[['B', ' N ', 249.301, 250.823, 263.286], ['B', ' CA ', 248.834, 249.543, 263.818], ['B', ' C ', 249.902, 248.477, 263.586], ['B', ' O ', 249.937, 247.842, 262.529], ['B', ' CB ', 247.504, 249.15, 263.182], ['B', ' CG ', 246.43, 250.24, 263.22], ['B', ' CD1', 245.181, 249.815, 262.479], ['B', ' CD2', 246.101, 250.595, 264.653]]
[['B', ' N ', 250.76, 248.275, 264.586], ['B', ' CA ', 251.826, 247.276, 264.561], ['B', ' C ', 251.371, 245.824, 264.745], ['B', ' O ', 251.922, 244.941, 264.075], ['B', ' CB ', 252.877, 247.622, 265.621], ['B', ' CG ', 252.407, 247.332, 267.032], ['B', ' OD1', 252.562, 246.18, 267.488], ['B', ' OD2', 251.874, 248.254, 267.683]]
[['B', ' N ', 250.403, 245.506, 265.612], ['B', ' CA ', 250.104, 244.091, 265.88], ['B', ' C ', 249.365, 243.471, 264.707], ['B', ' O ', 249.218, 244.115, 263.658], ['B', ' CB ', 249.232, 244.15, 267.147], ['B', ' CG ', 248.706, 245.524, 267.225], ['B', ' CD ', 249.359, 246.374, 266.19]]
[['B', ' N ', 248.888, 242.219, 264.817], ['B', ' CA ', 248.147, 241.645, 263.686], ['B', ' C ', 246.795, 242.3, 263.447], ['B', ' O ', 245.764, 241.625, 263.38], ['B', ' CB ', 247.987, 240.172, 264.078], ['B', ' CG ', 248.207, 240.134, 265.536], ['B', ' CD ', 249.233, 241.179, 265.798]]
[['B', ' N ', 246.803, 243.627, 263.32], ['B', ' CA ', 245.744, 244.389, 262.675], ['B', ' C ', 246.143, 244.841, 261.284], ['B', ' O ', 245.299, 244.886, 260.377], ['B', ' CB ', 245.387, 245.622, 263.514], ['B', ' CG ', 244.794, 245.304, 264.873], ['B', ' CD ', 244.039, 246.476, 265.469], ['B', ' OE1', 244.323, 247.628, 265.082], ['B', ' OE2', 243.159, 246.245, 266.325]]
[['B', ' N ', 247.424, 245.168, 261.11], ['B', ' CA ', 247.948, 245.442, 259.785], ['B', ' C ', 247.714, 244.269, 258.855], ['B', ' O ', 247.519, 244.468, 257.657], ['B', ' CB ', 249.437, 245.77, 259.863]]
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[['B', ' N ', 245.027, 242.282, 258.592], ['B', ' CA ', 243.704, 242.352, 257.98], ['B', ' C ', 243.565, 243.608, 257.123], ['B', ' O ', 243.003, 243.559, 256.017], ['B', ' CB ', 242.602, 242.249, 259.052], ['B', ' CG1', 242.592, 243.456, 259.961], ['B', ' CG2', 241.248, 242.079, 258.392]]
[['B', ' N ', 244.086, 244.745, 257.59], ['B', ' CA ', 243.951, 245.958, 256.787], ['B', ' C ', 244.678, 245.812, 255.454], ['B', ' O ', 244.103, 246.055, 254.382], ['B', ' CB ', 244.464, 247.169, 257.56], ['B', ' CG ', 243.799, 247.363, 258.91], ['B', ' CD ', 242.342, 247.748, 258.794], ['B', ' NE2', 241.499, 247.117, 259.601], ['B', ' OE1', 241.976, 248.608, 257.996]]
[['B', ' N ', 245.933, 245.369, 255.497], ['B', ' CA ', 246.708, 245.216, 254.279], ['B', ' C ', 246.134, 244.111, 253.411], ['B', ' O ', 246.243, 244.172, 252.187], ['B', ' CB ', 248.185, 244.971, 254.625], ['B', ' CG1', 248.738, 246.16, 255.403], ['B', ' CG2', 249.004, 244.793, 253.372], ['B', ' CD1', 250.228, 246.16, 255.507]]
[['B', ' N ', 245.501, 243.094, 254.0], ['B', ' CA ', 244.827, 242.104, 253.169], ['B', ' C ', 243.693, 242.738, 252.386], ['B', ' O ', 243.506, 242.437, 251.202], ['B', ' CB ', 244.307, 240.946, 254.016], ['B', ' CG ', 245.368, 239.903, 254.284], ['B', ' OD1', 246.553, 240.275, 254.374], ['B', ' OD2', 245.022, 238.707, 254.385]]
[['B', ' N ', 242.928, 243.625, 253.024], ['B', ' CA ', 241.862, 244.306, 252.293], ['B', ' C ', 242.429, 245.129, 251.141], ['B', ' O ', 241.941, 245.052, 250.003], ['B', ' CB ', 241.046, 245.182, 253.24], ['B', ' CG ', 240.349, 244.398, 254.33], ['B', ' CD ', 239.395, 245.267, 255.124], ['B', ' NE ', 238.223, 245.644, 254.34], ['B', ' CZ ', 237.082, 244.963, 254.328], ['B', ' NH1', 236.952, 243.868, 255.061], ['B', ' NH2', 236.07, 245.379, 253.584]]
[['B', ' N ', 243.485, 245.902, 251.41], ['B', ' CA ', 244.093, 246.684, 250.333], ['B', ' C ', 244.647, 245.797, 249.226], ['B', ' O ', 244.503, 246.119, 248.041], ['B', ' CB ', 245.194, 247.601, 250.852], ['B', ' CG ', 244.841, 248.909, 251.553], ['B', ' CD1', 244.261, 248.707, 252.91], ['B', ' CD2', 246.084, 249.775, 251.629]]
[['B', ' N ', 245.315, 244.7, 249.584], ['B', ' CA ', 245.908, 243.835, 248.571], ['B', ' C ', 244.827, 243.223, 247.705], ['B', ' O ', 244.967, 243.145, 246.483], ['B', ' CB ', 246.776, 242.747, 249.219], ['B', ' CG1', 248.056, 243.339, 249.784], ['B', ' CG2', 247.132, 241.698, 248.203], ['B', ' CD1', 248.809, 242.355, 250.633]]
[['B', ' N ', 243.736, 242.768, 248.319], ['B', ' CA ', 242.648, 242.206, 247.532], ['B', ' C ', 242.087, 243.242, 246.57], ['B', ' O ', 241.864, 242.947, 245.39], ['B', ' CB ', 241.55, 241.678, 248.45], ['B', ' CG2', 240.413, 241.11, 247.631], ['B', ' OG1', 242.08, 240.642, 249.281]]
[['B', ' N ', 241.884, 244.47, 247.045], ['B', ' CA ', 241.364, 245.497, 246.157], ['B', ' C ', 242.289, 245.781, 244.988], ['B', ' O ', 241.861, 245.82, 243.83]]
[['B', ' N ', 243.576, 245.973, 245.276], ['B', ' CA ', 244.517, 246.315, 244.217], ['B', ' C ', 244.692, 245.161, 243.241], ['B', ' O ', 244.795, 245.377, 242.027], ['B', ' CB ', 245.853, 246.731, 244.822], ['B', ' CG ', 245.842, 248.14, 245.371], ['B', ' CD ', 246.868, 248.331, 246.459], ['B', ' NE ', 246.982, 249.73, 246.846], ['B', ' CZ ', 247.869, 250.191, 247.717], ['B', ' NH1', 248.723, 249.362, 248.294], ['B', ' NH2', 247.903, 251.48, 248.013]]
[['B', ' N ', 244.713, 243.929, 243.748], ['B', ' CA ', 244.822, 242.768, 242.879], ['B', ' C ', 243.617, 242.655, 241.962], ['B', ' O ', 243.763, 242.367, 240.77], ['B', ' CB ', 244.975, 241.51, 243.725], ['B', ' CG ', 245.246, 240.208, 242.987], ['B', ' CD1', 246.263, 240.432, 241.886], ['B', ' CD2', 245.736, 239.16, 243.964]]
[['B', ' N ', 242.415, 242.883, 242.493], ['B', ' CA ', 241.229, 242.832, 241.647], ['B', ' C ', 241.275, 243.903, 240.567], ['B', ' O ', 240.956, 243.635, 239.401], ['B', ' CB ', 239.97, 242.993, 242.49], ['B', ' CG ', 238.748, 243.357, 241.677], ['B', ' CD ', 237.485, 243.371, 242.502], ['B', ' NE2', 237.636, 243.283, 243.816], ['B', ' OE1', 236.384, 243.464, 241.965]]
[['B', ' N ', 241.671, 245.124, 240.932], ['B', ' CA ', 241.733, 246.191, 239.941], ['B', ' C ', 242.741, 245.87, 238.846], ['B', ' O ', 242.463, 246.058, 237.654], ['B', ' CB ', 242.079, 247.51, 240.619], ['B', ' OG ', 243.364, 247.441, 241.195]]
[['B', ' N ', 243.913, 245.363, 239.227], ['B', ' CA ', 244.921, 245.027, 238.229], ['B', ' C ', 244.446, 243.899, 237.322], ['B', ' O ', 244.667, 243.934, 236.104], ['B', ' CB ', 246.228, 244.66, 238.923], ['B', ' CG ', 247.418, 244.344, 238.031], ['B', ' CD1', 247.712, 245.517, 237.138], ['B', ' CD2', 248.614, 244.028, 238.895]]
[['B', ' N ', 243.785, 242.89, 237.89], ['B', ' CA ', 243.295, 241.79, 237.07], ['B', ' C ', 242.249, 242.27, 236.076], ['B', ' O ', 242.242, 241.842, 234.913], ['B', ' CB ', 242.729, 240.686, 237.957], ['B', ' CG ', 242.017, 239.584, 237.205], ['B', ' CD ', 240.89, 238.98, 238.013], ['B', ' NE2', 240.115, 238.103, 237.391], ['B', ' OE1', 240.721, 239.295, 239.188]]
[['B', ' N ', 241.352, 243.156, 236.507], ['B', ' CA ', 240.355, 243.663, 235.574], ['B', ' C ', 240.935, 244.647, 234.574], ['B', ' O ', 240.281, 244.93, 233.57], ['B', ' CB ', 239.196, 244.324, 236.311], ['B', ' CG2', 238.512, 243.326, 237.23], ['B', ' OG1', 239.683, 245.432, 237.073]]
[['B', ' N ', 242.123, 245.189, 234.828], ['B', ' CA ', 242.817, 245.896, 233.756], ['B', ' C ', 243.384, 244.931, 232.725], ['B', ' O ', 243.277, 245.169, 231.515], ['B', ' CB ', 243.947, 246.751, 234.307], ['B', ' CG ', 244.924, 247.188, 233.243], ['B', ' CD1', 244.552, 248.086, 232.264], ['B', ' CD2', 246.214, 246.698, 233.217], ['B', ' CE1', 245.436, 248.49, 231.297], ['B', ' CE2', 247.105, 247.096, 232.254], ['B', ' CZ ', 246.709, 247.99, 231.296], ['B', ' OH ', 247.595, 248.39, 230.331]]
[['B', ' N ', 244.013, 243.85, 233.19], ['B', ' CA ', 244.618, 242.901, 232.26], ['B', ' C ', 243.556, 242.268, 231.377], ['B', ' O ', 243.764, 242.081, 230.174], ['B', ' CB ', 245.425, 241.833, 233.01], ['B', ' CG1', 246.159, 240.968, 232.021], ['B', ' CG2', 246.411, 242.481, 233.946]]
[['B', ' N ', 242.407, 241.92, 231.956], ['B', ' CA ', 241.344, 241.309, 231.16], ['B', ' C ', 240.833, 242.264, 230.086], ['B', ' O ', 240.596, 241.859, 228.94], ['B', ' CB ', 240.202, 240.858, 232.065], ['B', ' CG2', 238.97, 240.54, 231.248], ['B', ' OG1', 240.603, 239.692, 232.792]]
[['B', ' N ', 240.661, 243.538, 230.436], ['B', ' CA ', 240.199, 244.508, 229.453], ['B', ' C ', 241.211, 244.685, 228.336], ['B', ' O ', 240.834, 244.79, 227.165], ['B', ' CB ', 239.904, 245.848, 230.12], ['B', ' CG ', 239.325, 246.912, 229.193], ['B', ' CD ', 237.924, 246.601, 228.684], ['B', ' NE2', 237.131, 247.645, 228.48], ['B', ' OE1', 237.555, 245.447, 228.487]]
[['B', ' N ', 242.5, 244.728, 228.671], ['B', ' CA ', 243.506, 244.794, 227.617], ['B', ' C ', 243.44, 243.564, 226.725], ['B', ' O ', 243.549, 243.671, 225.5], ['B', ' CB ', 244.899, 244.939, 228.214], ['B', ' CG ', 245.264, 246.357, 228.571], ['B', ' CD ', 245.555, 247.208, 227.36], ['B', ' NE2', 244.609, 248.062, 226.999], ['B', ' OE1', 246.623, 247.113, 226.763]]
[['B', ' N ', 243.249, 242.387, 227.322], ['B', ' CA ', 243.189, 241.158, 226.539], ['B', ' C ', 242.028, 241.182, 225.556], ['B', ' O ', 242.169, 240.74, 224.412], ['B', ' CB ', 243.072, 239.952, 227.464], ['B', ' CG ', 244.369, 239.364, 228.005], ['B', ' CD1', 244.073, 238.395, 229.128], ['B', ' CD2', 245.109, 238.673, 226.889]]
[['B', ' N ', 240.865, 241.673, 225.986], ['B', ' CA ', 239.729, 241.735, 225.067], ['B', ' C ', 239.944, 242.807, 224.005], ['B', ' O ', 239.672, 242.583, 222.82], ['B', ' CB ', 238.409, 241.954, 225.823], ['B', ' CG1', 238.072, 240.736, 226.667], ['B', ' CG2', 237.289, 242.194, 224.859], ['B', ' CD1', 236.904, 240.957, 227.573]]
[['B', ' N ', 240.426, 243.984, 224.401], ['B', ' CA ', 240.626, 245.083, 223.466], ['B', ' C ', 241.71, 244.797, 222.44], ['B', ' O ', 241.67, 245.366, 221.346], ['B', ' CB ', 240.953, 246.365, 224.239], ['B', ' CG ', 241.235, 247.574, 223.373], ['B', ' CD ', 241.418, 248.836, 224.194], ['B', ' NE ', 240.154, 249.336, 224.717], ['B', ' CZ ', 239.87, 249.444, 226.009], ['B', ' NH1', 240.765, 249.093, 226.918], ['B', ' NH2', 238.693, 249.914, 226.391]]
[['B', ' N ', 242.653, 243.913, 222.746], ['B', ' CA ', 243.704, 243.546, 221.81], ['B', ' C ', 243.26, 242.508, 220.797], ['B', ' O ', 244.071, 242.092, 219.967], ['B', ' CB ', 244.922, 243.021, 222.565]]
[['B', ' N ', 242.008, 242.064, 220.855], ['B', ' CA ', 241.468, 241.159, 219.853], ['B', ' C ', 240.871, 241.884, 218.66], ['B', ' O ', 241.108, 241.472, 217.523], ['B', ' CB ', 240.405, 240.254, 220.474]]
[['B', ' N ', 240.113, 242.958, 218.875], ['B', ' CA ', 239.614, 243.732, 217.747], ['B', ' C ', 240.729, 244.437, 216.994], ['B', ' O ', 240.628, 244.608, 215.772], ['B', ' CB ', 238.573, 244.75, 218.215], ['B', ' CG ', 239.121, 245.918, 219.01], ['B', ' CD ', 238.038, 246.663, 219.773], ['B', ' OE1', 236.897, 246.16, 219.838], ['B', ' OE2', 238.328, 247.751, 220.309]]
[['B', ' N ', 241.797, 244.834, 217.685], ['B', ' CA ', 242.93, 245.436, 216.998], ['B', ' C ', 243.563, 244.434, 216.051], ['B', ' O ', 243.887, 244.763, 214.906], ['B', ' CB ', 243.946, 245.978, 218.012], ['B', ' CG1', 243.46, 247.306, 218.58], ['B', ' CG2', 245.286, 246.16, 217.361], ['B', ' CD1', 243.44, 248.416, 217.577]]
[['B', ' N ', 243.74, 243.194, 216.499], ['B', ' CA ', 244.239, 242.163, 215.603], ['B', ' C ', 243.247, 241.827, 214.504], ['B', ' O ', 243.669, 241.515, 213.389], ['B', ' CB ', 244.593, 240.91, 216.396], ['B', ' CG ', 244.83, 239.685, 215.556], ['B', ' CD ', 245.242, 238.526, 216.432], ['B', ' NE ', 244.192, 238.158, 217.371], ['B', ' CZ ', 244.383, 237.387, 218.431], ['B', ' NH1', 245.588, 236.905, 218.69], ['B', ' NH2', 243.37, 237.103, 219.234]]
[['B', ' N ', 241.949, 241.895, 214.782], ['B', ' CA ', 240.957, 241.681, 213.74], ['B', ' C ', 241.047, 242.719, 212.637], ['B', ' O ', 240.83, 242.382, 211.471], ['B', ' CB ', 239.552, 241.688, 214.337]]
[['B', ' N ', 241.348, 243.968, 212.981], ['B', ' CA ', 241.588, 245.005, 211.988], ['B', ' C ', 242.954, 244.902, 211.325], ['B', ' O ', 243.08, 245.24, 210.144], ['B', ' CB ', 241.446, 246.392, 212.62], ['B', ' OG ', 242.065, 246.42, 213.891]]
[['B', ' N ', 243.974, 244.452, 212.044], ['B', ' CA ', 245.28, 244.219, 211.451], ['B', ' C ', 245.276, 243.079, 210.45], ['B', ' O ', 246.027, 243.134, 209.475], ['B', ' CB ', 246.312, 243.925, 212.537]]
[['B', ' N ', 244.458, 242.051, 210.67], ['B', ' CA ', 244.288, 240.979, 209.703], ['B', ' C ', 243.465, 241.398, 208.501], ['B', ' O ', 243.552, 240.751, 207.457], ['B', ' CB ', 243.616, 239.766, 210.352], ['B', ' CG ', 244.578, 238.928, 211.155], ['B', ' ND2', 244.087, 238.341, 212.237], ['B', ' OD1', 245.746, 238.791, 210.8]]
[['B', ' N ', 242.657, 242.441, 208.631], ['B', ' CA ', 241.974, 243.025, 207.491], ['B', ' C ', 242.875, 243.941, 206.687], ['B', ' O ', 242.766, 243.967, 205.461], ['B', ' CB ', 240.745, 243.804, 207.951], ['B', ' CG ', 239.983, 244.537, 206.855], ['B', ' CD1', 239.432, 243.539, 205.869], ['B', ' CD2', 238.867, 245.359, 207.461]]
[['B', ' N ', 243.764, 244.679, 207.342], ['B', ' CA ', 244.735, 245.492, 206.623], ['B', ' C ', 245.672, 244.658, 205.767], ['B', ' O ', 245.966, 245.042, 204.633], ['B', ' CB ', 245.555, 246.331, 207.6]]
[['B', ' N ', 246.135, 243.518, 206.277], ['B', ' CA ', 247.031, 242.668, 205.502], ['B', ' C ', 246.363, 242.15, 204.237], ['B', ' O ', 246.975, 242.156, 203.165], ['B', ' CB ', 247.52, 241.507, 206.36]]
[['B', ' N ', 245.113, 241.704, 204.329], ['B', ' CA ', 244.426, 241.187, 203.153], ['B', ' C ', 243.826, 242.277, 202.286], ['B', ' O ', 243.441, 241.993, 201.15], ['B', ' CB ', 243.318, 240.221, 203.548], ['B', ' CG2', 243.821, 239.226, 204.567], ['B', ' OG1', 242.226, 240.956, 204.101]]
[['B', ' N ', 243.717, 243.503, 202.784], ['B', ' CA ', 243.36, 244.625, 201.936], ['B', ' C ', 244.574, 245.263, 201.292], ['B', ' O ', 244.42, 246.096, 200.399], ['B', ' CB ', 242.598, 245.684, 202.74], ['B', ' CG ', 241.62, 246.486, 201.917], ['B', ' CD ', 240.919, 247.52, 202.753], ['B', ' CE ', 240.183, 246.87, 203.893], ['B', ' NZ ', 239.188, 245.897, 203.396]]
[['B', ' N ', 245.771, 244.906, 201.739], ['B', ' CA ', 246.98, 245.429, 201.138], ['B', ' C ', 247.663, 244.423, 200.232], ['B', ' O ', 248.36, 244.827, 199.3], ['B', ' CB ', 247.939, 245.892, 202.239], ['B', ' CG ', 249.339, 246.213, 201.83], ['B', ' SD ', 249.779, 247.583, 202.901], ['B', ' CE ', 251.522, 247.703, 202.64]]
[['B', ' N ', 247.463, 243.128, 200.467], ['B', ' CA ', 247.856, 242.134, 199.478], ['B', ' C ', 247.041, 242.292, 198.207], ['B', ' O ', 247.58, 242.222, 197.1], ['B', ' CB ', 247.689, 240.728, 200.045], ['B', ' OG ', 248.604, 240.495, 201.098]]
[['B', ' N ', 245.739, 242.529, 198.346], ['B', ' CA ', 244.827, 242.459, 197.212], ['B', ' C ', 244.677, 243.787, 196.481], ['B', ' O ', 244.8, 243.829, 195.256], ['B', ' CB ', 243.463, 241.964, 197.682], ['B', ' CG ', 243.485, 240.531, 198.158], ['B', ' CD ', 242.139, 240.066, 198.633], ['B', ' OE1', 241.223, 240.905, 198.705], ['B', ' OE2', 241.992, 238.868, 198.938]]
[['B', ' N ', 244.397, 244.877, 197.2], ['B', ' CA ', 244.151, 246.146, 196.521], ['B', ' C ', 245.444, 246.746, 195.979], ['B', ' O ', 245.464, 247.3, 194.876], ['B', ' CB ', 243.451, 247.135, 197.455], ['B', ' SG ', 242.07, 246.494, 198.442]]
[['B', ' N ', 246.536, 246.652, 196.736], ['B', ' CA ', 247.788, 247.27, 196.305], ['B', ' C ', 248.489, 246.4, 195.269], ['B', ' O ', 248.67, 246.804, 194.116], ['B', ' CB ', 248.702, 247.54, 197.509], ['B', ' CG1', 250.074, 247.93, 197.04], ['B', ' CG2', 248.129, 248.639, 198.358]]
[['B', ' N ', 248.88, 245.19, 195.656], ['B', ' CA ', 249.691, 244.338, 194.796], ['B', ' C ', 248.893, 243.64, 193.71], ['B', ' O ', 249.401, 242.685, 193.12], ['B', ' CB ', 250.427, 243.28, 195.62], ['B', ' CG ', 251.678, 243.642, 196.421], ['B', ' CD1', 251.35, 244.485, 197.632], ['B', ' CD2', 252.422, 242.392, 196.834]]
[['B', ' N ', 247.671, 244.069, 193.432], ['B', ' CA ', 246.889, 243.433, 192.395], ['B', ' C ', 245.751, 244.294, 191.899], ['B', ' O ', 245.898, 245.509, 191.761]]
[['B', ' N ', 244.609, 243.677, 191.618], ['B', ' CA ', 243.438, 244.427, 191.176], ['B', ' C ', 242.219, 243.59, 191.522], ['B', ' O ', 241.886, 242.658, 190.787], ['B', ' CB ', 243.506, 244.709, 189.688], ['B', ' CG ', 242.493, 245.705, 189.199], ['B', ' CD ', 242.415, 245.726, 187.7], ['B', ' NE2', 241.852, 246.788, 187.149], ['B', ' OE1', 242.874, 244.8, 187.038]]
[['B', ' N ', 241.56, 243.923, 192.624], ['B', ' CA ', 240.47, 243.105, 193.12], ['B', ' C ', 239.218, 243.319, 192.289], ['B', ' O ', 238.892, 244.446, 191.915], ['B', ' CB ', 240.178, 243.44, 194.574], ['B', ' OG ', 239.594, 244.722, 194.659]]
[['B', ' N ', 238.514, 242.227, 192.001], ['B', ' CA ', 237.224, 242.301, 191.337], ['B', ' C ', 236.062, 242.139, 192.299], ['B', ' O ', 234.914, 242.08, 191.858], ['B', ' CB ', 237.13, 241.262, 190.226], ['B', ' CG ', 237.673, 241.753, 188.9], ['B', ' CD ', 237.273, 240.825, 187.773], ['B', ' CE ', 235.767, 240.804, 187.601], ['B', ' NZ ', 235.256, 242.125, 187.159]]
[['B', ' N ', 236.326, 242.068, 193.597], ['B', ' CA ', 235.246, 242.133, 194.566], ['B', ' C ', 234.632, 243.524, 194.546], ['B', ' O ', 235.28, 244.5, 194.169], ['B', ' CB ', 235.759, 241.806, 195.964], ['B', ' CG ', 236.836, 240.747, 195.997], ['B', ' CD ', 237.506, 240.712, 197.349], ['B', ' NE ', 236.558, 240.386, 198.406], ['B', ' CZ ', 236.877, 239.744, 199.522], ['B', ' NH1', 238.126, 239.363, 199.733], ['B', ' NH2', 235.95, 239.487, 200.43]]
[['B', ' N ', 233.374, 243.617, 194.951], ['B', ' CA ', 232.641, 244.877, 194.894], ['B', ' C ', 232.671, 245.552, 196.255], ['B', ' O ', 232.56, 244.894, 197.294], ['B', ' CB ', 231.198, 244.662, 194.418], ['B', ' CG1', 230.489, 245.989, 194.301], ['B', ' CG2', 231.2, 243.952, 193.086]]
[['B', ' N ', 232.847, 246.871, 196.246], ['B', ' CA ', 232.87, 247.735, 197.422], ['B', ' C ', 233.949, 247.355, 198.422], ['B', ' O ', 233.957, 247.879, 199.538], ['B', ' CB ', 231.511, 247.773, 198.13], ['B', ' CG ', 230.453, 248.54, 197.347], ['B', ' OD1', 230.688, 248.846, 196.161], ['B', ' OD2', 229.386, 248.842, 197.926]]
[['B', ' N ', 234.865, 246.461, 198.058], ['B', ' CA ', 235.941, 246.077, 198.967], ['B', ' C ', 237.025, 247.146, 199.018], ['B', ' O ', 237.292, 247.724, 200.076], ['B', ' CB ', 236.533, 244.737, 198.537], ['B', ' CG ', 237.53, 244.174, 199.502], ['B', ' CD1', 237.193, 243.964, 200.821], ['B', ' CD2', 238.799, 243.839, 199.085], ['B', ' CE1', 238.102, 243.44, 201.701], ['B', ' CE2', 239.708, 243.321, 199.962], ['B', ' CZ ', 239.36, 243.121, 201.271]]
[['B', ' N ', 237.664, 247.414, 197.882], ['B', ' CA ', 238.659, 248.477, 197.789], ['B', ' C ', 238.0, 249.734, 197.221], ['B', ' O ', 238.221, 250.136, 196.082], ['B', ' CB ', 239.844, 248.032, 196.935], ['B', ' SG ', 240.467, 246.345, 197.201]]
[['B', ' N ', 237.159, 250.345, 198.044], ['B', ' CA ', 236.525, 251.6, 197.702], ['B', ' C ', 235.391, 251.435, 196.706], ['B', ' O ', 235.388, 250.548, 195.858]]
[['B', ' N ', 234.411, 252.329, 196.812], ['B', ' CA ', 233.211, 252.238, 195.991], ['B', ' C ', 233.496, 252.638, 194.551], ['B', ' O ', 234.182, 253.627, 194.287], ['B', ' CB ', 232.102, 253.113, 196.564], ['B', ' CG ', 230.783, 252.96, 195.84], ['B', ' CD ', 229.715, 253.858, 196.429], ['B', ' CE ', 229.204, 253.305, 197.747], ['B', ' NZ ', 228.084, 254.115, 198.291]]
[['B', ' N ', 232.946, 251.873, 193.622], ['B', ' CA ', 233.226, 252.018, 192.214], ['B', ' C ', 233.92, 250.793, 191.656], ['B', ' O ', 233.86, 249.696, 192.212]]
[['B', ' N ', 234.598, 250.994, 190.534], ['B', ' CA ', 235.413, 249.957, 189.916], ['B', ' C ', 236.868, 250.209, 190.281], ['B', ' O ', 237.532, 251.046, 189.668], ['B', ' CB ', 235.21, 249.943, 188.407], ['B', ' CG ', 233.825, 249.512, 188.026], ['B', ' CD1', 233.478, 248.179, 188.01], ['B', ' CD2', 232.853, 250.44, 187.723], ['B', ' CE1', 232.208, 247.781, 187.68], ['B', ' CE2', 231.579, 250.052, 187.396], ['B', ' CZ ', 231.263, 248.722, 187.377], ['B', ' OH ', 229.992, 248.328, 187.048]]
[['B', ' N ', 237.365, 249.473, 191.267], ['B', ' CA ', 238.704, 249.709, 191.783], ['B', ' C ', 239.753, 249.311, 190.762], ['B', ' O ', 239.657, 248.246, 190.15], ['B', ' CB ', 238.908, 248.917, 193.065], ['B', ' CG ', 240.341, 248.743, 193.445], ['B', ' CD2', 241.169, 249.521, 194.177], ['B', ' ND1', 241.073, 247.636, 193.084], ['B', ' CE1', 242.296, 247.745, 193.567], ['B', ' NE2', 242.38, 248.88, 194.235]]
[['B', ' N ', 240.765, 250.159, 190.584], ['B', ' CA ', 241.826, 249.865, 189.633], ['B', ' C ', 243.248, 250.111, 190.133], ['B', ' O ', 244.168, 249.49, 189.593], ['B', ' CB ', 241.592, 250.639, 188.328], ['B', ' CG ', 241.548, 252.156, 188.295], ['B', ' CD1', 242.929, 252.728, 188.188], ['B', ' CD2', 240.72, 252.593, 187.127]]
[['B', ' N ', 243.47, 250.956, 191.136], ['B', ' CA ', 244.803, 251.122, 191.71], ['B', ' C ', 244.65, 251.519, 193.17], ['B', ' O ', 243.539, 251.738, 193.652], ['B', ' CB ', 245.622, 252.155, 190.933], ['B', ' CG ', 246.314, 251.583, 189.717], ['B', ' SD ', 247.687, 252.518, 189.037], ['B', ' CE ', 248.572, 252.929, 190.52]]
[['B', ' N ', 245.77, 251.598, 193.883], ['B', ' CA ', 245.754, 252.066, 195.265], ['B', ' C ', 247.183, 252.251, 195.745], ['B', ' O ', 248.116, 251.634, 195.227], ['B', ' CB ', 245.015, 251.103, 196.188], ['B', ' OG ', 245.685, 249.863, 196.248]]
[['B', ' N ', 247.339, 253.107, 196.756], ['B', ' CA ', 248.633, 253.483, 197.289], ['B', ' C ', 248.564, 253.453, 198.809], ['B', ' O ', 247.613, 253.997, 199.388], ['B', ' CB ', 249.026, 254.876, 196.813], ['B', ' CG ', 248.753, 255.117, 195.368], ['B', ' CD1', 249.64, 254.686, 194.409], ['B', ' CD2', 247.606, 255.759, 194.967], ['B', ' CE1', 249.396, 254.905, 193.088], ['B', ' CE2', 247.358, 255.975, 193.645], ['B', ' CZ ', 248.254, 255.55, 192.704]]
[['B', ' N ', 249.532, 252.846, 199.482], ['B', ' CA ', 249.534, 252.851, 200.944], ['B', ' C ', 250.29, 254.037, 201.514], ['B', ' O ', 251.303, 254.484, 200.979], ['B', ' CB ', 250.249, 251.539, 201.278], ['B', ' CG ', 251.221, 251.39, 200.169], ['B', ' CD ', 250.579, 251.971, 198.939]]
[['B', ' N ', 249.774, 254.555, 202.622], ['B', ' CA ', 250.406, 255.672, 203.306], ['B', ' C ', 250.358, 255.398, 204.796], ['B', ' O ', 249.298, 255.061, 205.325], ['B', ' CB ', 249.708, 256.993, 202.984], ['B', ' CG ', 249.788, 257.399, 201.533], ['B', ' CD ', 251.205, 257.483, 201.033], ['B', ' NE2', 252.082, 258.055, 201.84], ['B', ' OE1', 251.511, 257.044, 199.93]]
[['B', ' N ', 251.491, 255.539, 205.468], ['B', ' CA ', 251.538, 255.185, 206.874], ['B', ' C ', 250.874, 256.263, 207.722], ['B', ' O ', 250.575, 257.361, 207.254], ['B', ' CB ', 252.976, 254.977, 207.324], ['B', ' OG ', 253.03, 254.801, 208.724]]
[['B', ' N ', 250.634, 255.928, 208.985], ['B', ' CA ', 250.033, 256.849, 209.94], ['B', ' C ', 250.254, 256.292, 211.337], ['B', ' O ', 250.421, 255.079, 211.5], ['B', ' CB ', 248.535, 257.041, 209.659]]
[['B', ' N ', 250.261, 257.145, 212.364], ['B', ' CA ', 250.633, 256.68, 213.706], ['B', ' C ', 249.766, 255.543, 214.206], ['B', ' O ', 248.58, 255.738, 214.481], ['B', ' CB ', 250.448, 257.928, 214.573], ['B', ' CG ', 250.535, 259.051, 213.638], ['B', ' CD ', 249.945, 258.579, 212.359]]
[['B', ' N ', 250.363, 254.366, 214.364], ['B', ' CA ', 249.633, 253.148, 214.691], ['B', ' C ', 248.459, 252.96, 213.737], ['B', ' O ', 247.305, 252.842, 214.142], ['B', ' CB ', 249.156, 253.163, 216.141], ['B', ' CG ', 250.24, 253.441, 217.131], ['B', ' CD2', 250.231, 254.142, 218.288], ['B', ' ND1', 251.522, 252.96, 216.983], ['B', ' CE1', 252.258, 253.357, 218.005], ['B', ' NE2', 251.499, 254.077, 218.811]]
[['B', ' N ', 248.771, 252.96, 212.449], ['B', ' CA ', 247.729, 252.799, 211.454], ['B', ' C ', 248.313, 252.819, 210.063], ['B', ' O ', 249.522, 252.961, 209.873]]
[['B', ' N ', 247.427, 252.666, 209.086], ['B', ' CA ', 247.809, 252.686, 207.682], ['B', ' C ', 246.634, 253.222, 206.883], ['B', ' O ', 245.476, 252.96, 207.209], ['B', ' CB ', 248.244, 251.289, 207.201], ['B', ' CG1', 247.105, 250.32, 207.302], ['B', ' CG2', 248.757, 251.352, 205.787]]
[['B', ' N ', 246.937, 253.995, 205.847], ['B', ' CA ', 245.934, 254.701, 205.064], ['B', ' C ', 246.125, 254.353, 203.597], ['B', ' O ', 247.253, 254.374, 203.095], ['B', ' CB ', 246.03, 256.221, 205.271], ['B', ' CG1', 244.925, 256.918, 204.53], ['B', ' CG2', 245.971, 256.547, 206.741]]
[['B', ' N ', 245.033, 254.033, 202.914], ['B', ' CA ', 245.066, 253.727, 201.495], ['B', ' C ', 244.494, 254.891, 200.701], ['B', ' O ', 243.936, 255.834, 201.256], ['B', ' CB ', 244.292, 252.443, 201.208], ['B', ' CG ', 244.83, 251.237, 201.917], ['B', ' CD1', 245.884, 250.523, 201.39], ['B', ' CD2', 244.276, 250.815, 203.107], ['B', ' CE1', 246.373, 249.424, 202.039], ['B', ' CE2', 244.765, 249.714, 203.756], ['B', ' CZ ', 245.813, 249.018, 203.222]]
[['B', ' N ', 244.651, 254.83, 199.384], ['B', ' CA ', 244.179, 255.896, 198.505], ['B', ' C ', 243.497, 255.321, 197.268], ['B', ' O ', 243.822, 255.68, 196.138], ['B', ' CB ', 245.32, 256.825, 198.105], ['B', ' CG ', 246.046, 257.62, 199.185], ['B', ' CD1', 247.15, 258.433, 198.56], ['B', ' CD2', 245.087, 258.514, 199.921]]
[['B', ' N ', 242.551, 254.406, 197.478], ['B', ' CA ', 241.873, 253.695, 196.397], ['B', ' C ', 241.513, 254.607, 195.232], ['B', ' O ', 241.033, 255.723, 195.426], ['B', ' CB ', 240.602, 253.037, 196.931], ['B', ' CG ', 240.817, 252.207, 198.152], ['B', ' CD2', 240.016, 251.959, 199.212], ['B', ' ND1', 241.981, 251.509, 198.379], ['B', ' CE1', 241.887, 250.865, 199.527], ['B', ' NE2', 240.707, 251.126, 200.055]]
[['B', ' N ', 241.749, 254.116, 194.017], ['B', ' CA ', 241.353, 254.785, 192.784], ['B', ' C ', 240.282, 253.944, 192.113], ['B', ' O ', 240.452, 252.731, 191.956], ['B', ' CB ', 242.545, 254.982, 191.837], ['B', ' CG1', 242.099, 255.686, 190.586], ['B', ' CG2', 243.632, 255.752, 192.522]]
[['B', ' N ', 239.183, 254.578, 191.712], ['B', ' CA ', 238.047, 253.873, 191.139], ['B', ' C ', 237.64, 254.526, 189.827], ['B', ' O ', 238.186, 255.551, 189.423], ['B', ' CB ', 236.87, 253.844, 192.115], ['B', ' CG2', 237.194, 252.96, 193.301], ['B', ' OG1', 236.606, 255.17, 192.579]]
[['B', ' N ', 236.655, 253.926, 189.163], ['B', ' CA ', 236.183, 254.358, 187.848], ['B', ' C ', 234.66, 254.401, 187.896], ['B', ' O ', 233.994, 253.39, 187.68], ['B', ' CB ', 236.683, 253.424, 186.767], ['B', ' CG ', 236.081, 253.672, 185.413], ['B', ' CD1', 236.625, 254.602, 184.559], ['B', ' CD2', 234.985, 252.96, 184.981], ['B', ' CE1', 236.088, 254.825, 183.326], ['B', ' CE2', 234.439, 253.182, 183.752], ['B', ' CZ ', 234.995, 254.116, 182.93], ['B', ' OH ', 234.446, 254.331, 181.696]]
[['B', ' N ', 234.107, 255.569, 188.186], ['B', ' CA ', 232.668, 255.745, 188.35], ['B', ' C ', 232.123, 256.363, 187.069], ['B', ' O ', 232.511, 257.489, 186.731], ['B', ' CB ', 232.35, 256.631, 189.559], ['B', ' CG1', 230.882, 257.001, 189.564], ['B', ' CG2', 232.734, 255.929, 190.839]]
[['B', ' N ', 231.252, 255.684, 186.337], ['B', ' CA ', 230.679, 256.296, 185.133], ['B', ' C ', 229.84, 257.524, 185.443], ['B', ' O ', 229.632, 257.872, 186.607], ['B', ' CB ', 229.836, 255.17, 184.528], ['B', ' CG ', 229.786, 254.101, 185.539], ['B', ' CD ', 230.972, 254.247, 186.412]]
[['B', ' N ', 229.34, 258.175, 184.398], ['B', ' CA ', 228.818, 259.535, 184.476], ['B', ' C ', 227.684, 259.717, 183.48], ['B', ' O ', 226.995, 258.749, 183.15], ['B', ' CB ', 229.918, 260.561, 184.229]]
[['B', ' N ', 227.465, 260.959, 183.041], ['B', ' CA ', 226.316, 261.369, 182.24], ['B', ' C ', 225.823, 260.274, 181.31], ['B', ' O ', 226.597, 259.718, 180.529], ['B', ' CB ', 226.678, 262.593, 181.404], ['B', ' CG ', 227.168, 263.771, 182.204], ['B', ' CD ', 228.41, 264.38, 181.6], ['B', ' NE2', 229.034, 265.295, 182.327], ['B', ' OE1', 228.804, 264.035, 180.486]]
[['B', ' N ', 224.535, 259.971, 181.386], ['B', ' CA ', 223.954, 258.807, 180.742], ['B', ' C ', 223.163, 259.202, 179.505], ['B', ' O ', 222.973, 260.377, 179.191], ['B', ' CB ', 223.04, 258.069, 181.717], ['B', ' CG ', 223.768, 257.328, 182.808], ['B', ' CD ', 222.894, 257.098, 184.025], ['B', ' OE1', 221.817, 257.726, 184.113], ['B', ' OE2', 223.281, 256.295, 184.898]]
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[['B', ' N ', 230.459, 240.354, 172.754], ['B', ' CA ', 230.597, 240.924, 174.094], ['B', ' C ', 230.176, 242.39, 174.001], ['B', ' O ', 230.98, 243.263, 173.672], ['B', ' CB ', 232.011, 240.772, 174.628], ['B', ' CG ', 232.096, 240.778, 176.146], ['B', ' CD ', 231.597, 239.486, 176.771], ['B', ' OE1', 230.445, 239.464, 177.252], ['B', ' OE2', 232.357, 238.495, 176.787]]
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[['B', ' N ', 220.21, 251.249, 169.705], ['B', ' CA ', 219.682, 251.928, 168.53], ['B', ' C ', 219.593, 253.421, 168.794], ['B', ' O ', 219.928, 253.904, 169.877], ['B', ' CB ', 218.309, 251.382, 168.139], ['B', ' OG ', 217.296, 251.93, 168.953]]
[['B', ' N ', 219.139, 254.157, 167.777], ['B', ' CA ', 218.896, 255.589, 167.884], ['B', ' C ', 217.58, 256.037, 167.28], ['B', ' O ', 217.197, 257.193, 167.479], ['B', ' CB ', 220.014, 256.384, 167.208], ['B', ' CG ', 221.33, 256.182, 167.869], ['B', ' ND2', 221.432, 256.611, 169.119], ['B', ' OD1', 222.251, 255.628, 167.28]]
[['B', ' N ', 216.888, 255.178, 166.549], ['B', ' CA ', 215.674, 255.56, 165.869], ['B', ' C ', 215.696, 255.022, 164.459], ['B', ' O ', 214.655, 254.669, 163.898]]
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[['B', ' N ', 219.261, 253.551, 163.2], ['B', ' CA ', 220.434, 252.704, 163.09], ['B', ' C ', 220.482, 251.724, 164.257], ['B', ' O ', 219.669, 251.776, 165.179], ['B', ' CB ', 221.701, 253.559, 163.05], ['B', ' CG ', 221.68, 254.629, 162.004], ['B', ' CD2', 221.619, 254.558, 160.654], ['B', ' ND1', 221.743, 255.97, 162.314], ['B', ' CE1', 221.713, 256.68, 161.201], ['B', ' NE2', 221.64, 255.847, 160.179]]
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[['B', ' N ', 223.782, 249.417, 166.546], ['B', ' CA ', 225.216, 249.335, 166.773], ['B', ' C ', 225.489, 248.226, 167.776], ['B', ' O ', 224.583, 247.507, 168.193], ['B', ' CB ', 225.76, 250.672, 167.269], ['B', ' CG ', 225.444, 251.829, 166.368], ['B', ' CD1', 226.036, 251.937, 165.128], ['B', ' CD2', 224.561, 252.809, 166.762], ['B', ' CE1', 225.753, 252.989, 164.298], ['B', ' CE2', 224.281, 253.866, 165.935], ['B', ' CZ ', 224.875, 253.955, 164.703]]
[['B', ' N ', 226.752, 248.082, 168.163], ['B', ' CA ', 227.104, 247.144, 169.22], ['B', ' C ', 228.197, 247.729, 170.109], ['B', ' O ', 229.376, 247.754, 169.752], ['B', ' CB ', 227.47, 245.769, 168.622], ['B', ' CG1', 228.71, 245.829, 167.756], ['B', ' CG2', 227.658, 244.746, 169.721]]
[['B', ' N ', 227.805, 248.215, 171.28], ['B', ' CA ', 228.692, 248.96, 172.155], ['B', ' C ', 229.177, 248.085, 173.299], ['B', ' O ', 228.812, 246.919, 173.427], ['B', ' CB ', 227.985, 250.187, 172.72], ['B', ' CG2', 227.485, 251.054, 171.602], ['B', ' OG1', 226.861, 249.766, 173.497]]
[['B', ' N ', 229.998, 248.67, 174.157], ['B', ' CA ', 230.456, 247.993, 175.359], ['B', ' C ', 229.438, 248.225, 176.464], ['B', ' O ', 228.3, 248.627, 176.221], ['B', ' CB ', 231.839, 248.488, 175.765], ['B', ' CG ', 232.803, 248.652, 174.626], ['B', ' CD ', 233.783, 249.757, 174.89], ['B', ' NE2', 234.418, 250.247, 173.84], ['B', ' OE1', 233.95, 250.185, 176.025]]
[['B', ' N ', 229.836, 247.957, 177.699], ['B', ' CA ', 229.007, 248.218, 178.864], ['B', ' C ', 229.175, 249.626, 179.399], ['B', ' O ', 228.194, 250.354, 179.553], ['B', ' CB ', 229.38, 247.263, 179.988], ['B', ' CG ', 229.173, 245.832, 179.68], ['B', ' CD ', 227.759, 245.401, 179.799], ['B', ' NE ', 227.707, 244.047, 179.292], ['B', ' CZ ', 227.004, 243.077, 179.847], ['B', ' NH1', 226.294, 243.32, 180.942], ['B', ' NH2', 227.041, 241.864, 179.318]]
[['B', ' N ', 230.412, 250.007, 179.698], ['B', ' CA ', 230.72, 251.164, 180.517], ['B', ' C ', 231.182, 252.354, 179.698], ['B', ' O ', 231.747, 253.298, 180.255], ['B', ' CB ', 231.779, 250.781, 181.541], ['B', ' CG ', 231.461, 249.475, 182.223], ['B', ' ND2', 232.485, 248.677, 182.482], ['B', ' OD1', 230.302, 249.175, 182.493]]
[['B', ' N ', 230.972, 252.324, 178.392], ['B', ' CA ', 231.277, 253.456, 177.535], ['B', ' C ', 230.409, 253.324, 176.296], ['B', ' O ', 229.835, 252.268, 176.03], ['B', ' CB ', 232.76, 253.508, 177.177], ['B', ' CG ', 233.283, 254.89, 176.975], ['B', ' CD1', 233.622, 255.673, 178.053], ['B', ' CD2', 233.442, 255.402, 175.707], ['B', ' CE1', 234.101, 256.938, 177.871], ['B', ' CE2', 233.92, 256.668, 175.52], ['B', ' CZ ', 234.249, 257.437, 176.602]]
[['B', ' N ', 230.311, 254.409, 175.543], ['B', ' CA ', 229.515, 254.432, 174.325], ['B', ' C ', 230.45, 254.682, 173.148], ['B', ' O ', 230.633, 255.823, 172.72], ['B', ' CB ', 228.441, 255.483, 174.407], ['B', ' CG ', 227.573, 255.559, 173.184], ['B', ' CD1', 226.868, 254.458, 172.745], ['B', ' CD2', 227.474, 256.729, 172.458], ['B', ' CE1', 226.078, 254.524, 171.624], ['B', ' CE2', 226.691, 256.804, 171.335], ['B', ' CZ ', 225.996, 255.7, 170.924], ['B', ' OH ', 225.213, 255.78, 169.804]]
[['B', ' N ', 231.048, 253.612, 172.635], ['B', ' CA ', 231.678, 253.62, 171.317], ['B', ' C ', 230.909, 252.651, 170.439], ['B', ' O ', 231.099, 251.428, 170.547], ['B', ' CB ', 233.155, 253.239, 171.376], ['B', ' CG ', 234.09, 254.438, 171.472], ['B', ' CD ', 235.558, 254.058, 171.517], ['B', ' OE1', 235.866, 252.85, 171.491], ['B', ' OE2', 236.407, 254.972, 171.565]]
[['B', ' N ', 230.031, 253.132, 169.581], ['B', ' CA ', 229.229, 252.231, 168.755], ['B', ' C ', 229.888, 251.847, 167.444], ['B', ' O ', 230.068, 252.697, 166.569], ['B', ' CB ', 227.964, 253.051, 168.509], ['B', ' CG ', 228.402, 254.485, 168.64], ['B', ' CD ', 229.766, 254.537, 169.258]]
[['B', ' N ', 230.213, 250.574, 167.273], ['B', ' CA ', 230.736, 250.083, 166.01], ['B', ' C ', 229.566, 249.756, 165.09], ['B', ' O ', 228.426, 250.136, 165.352], ['B', ' CB ', 231.635, 248.875, 166.242], ['B', ' CG ', 233.041, 249.224, 166.66], ['B', ' CD ', 233.095, 249.799, 168.047], ['B', ' NE2', 232.563, 249.064, 169.011], ['B', ' OE1', 233.602, 250.899, 168.253]]
[['B', ' N ', 229.827, 249.049, 163.998], ['B', ' CA ', 228.78, 248.594, 163.093], ['B', ' C ', 228.716, 247.077, 163.152], ['B', ' O ', 229.751, 246.406, 163.199], ['B', ' CB ', 229.012, 249.087, 161.654], ['B', ' CG1', 228.568, 250.536, 161.53], ['B', ' CG2', 228.243, 248.249, 160.666], ['B', ' CD1', 227.09, 250.719, 161.74]]
[['B', ' N ', 227.496, 246.543, 163.168], ['B', ' CA ', 227.261, 245.111, 163.326], ['B', ' C ', 227.853, 244.399, 162.119], ['B', ' O ', 227.403, 244.605, 160.99], ['B', ' CB ', 225.771, 244.8, 163.455], ['B', ' CG1', 225.15, 245.594, 164.59], ['B', ' CG2', 225.587, 243.342, 163.748], ['B', ' CD1', 223.652, 245.576, 164.56]]
[['B', ' N ', 228.859, 243.564, 162.346], ['B', ' CA ', 229.437, 242.733, 161.305], ['B', ' C ', 229.589, 241.321, 161.839], ['B', ' O ', 229.453, 241.074, 163.038], ['B', ' CB ', 230.799, 243.255, 160.841], ['B', ' CG2', 230.726, 244.719, 160.474], ['B', ' OG1', 231.754, 243.082, 161.891]]
[['B', ' N ', 229.9, 240.382, 160.946], ['B', ' CA ', 230.191, 239.032, 161.41], ['B', ' C ', 231.626, 238.982, 161.905], ['B', ' O ', 232.394, 238.081, 161.559], ['B', ' CB ', 229.97, 238.0, 160.308], ['B', ' CG2', 228.587, 238.151, 159.715], ['B', ' OG1', 230.949, 238.18, 159.28]]
[['B', ' N ', 231.981, 239.965, 162.713], ['B', ' CA ', 233.16, 239.921, 163.552], ['B', ' C ', 232.844, 240.461, 164.935], ['B', ' O ', 233.722, 240.453, 165.802], ['B', ' CB ', 234.312, 240.72, 162.923], ['B', ' CG ', 235.069, 239.967, 161.872], ['B', ' CD2', 236.246, 239.3, 161.927], ['B', ' ND1', 234.627, 239.856, 160.572], ['B', ' CE1', 235.495, 239.146, 159.873], ['B', ' NE2', 236.487, 238.797, 160.671]]
[['B', ' N ', 231.62, 240.931, 165.16], ['B', ' CA ', 231.139, 241.306, 166.474], ['B', ' C ', 230.062, 240.369, 166.998], ['B', ' O ', 229.704, 240.466, 168.173], ['B', ' CB ', 230.574, 242.734, 166.453], ['B', ' CG ', 231.641, 243.793, 166.268], ['B', ' ND2', 232.541, 243.901, 167.235], ['B', ' OD1', 231.645, 244.519, 165.278]]
[['B', ' N ', 229.526, 239.482, 166.163], ['B', ' CA ', 228.365, 238.675, 166.511], ['B', ' C ', 228.61, 237.219, 166.147], ['B', ' O ', 229.278, 236.934, 165.149], ['B', ' CB ', 227.12, 239.176, 165.78], ['B', ' CG2', 226.991, 240.676, 165.9], ['B', ' OG1', 227.209, 238.826, 164.395]]
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[['B', ' N ', 240.562, 278.539, 247.003], ['B', ' CA ', 241.431, 277.397, 246.756], ['B', ' C ', 241.13, 276.325, 247.792], ['B', ' O ', 241.286, 276.58, 248.991], ['B', ' CB ', 242.888, 277.807, 246.832], ['B', ' CG ', 243.37, 278.635, 245.672], ['B', ' CD1', 243.759, 278.045, 244.491], ['B', ' CD2', 243.44, 280.005, 245.765], ['B', ' CE1', 244.209, 278.801, 243.44], ['B', ' CE2', 243.884, 280.763, 244.722], ['B', ' CZ ', 244.268, 280.16, 243.563], ['B', ' OH ', 244.713, 280.933, 242.525]]
[['B', ' N ', 240.712, 275.128, 247.388], ['B', ' CA ', 240.237, 274.153, 248.381], ['B', ' C ', 241.272, 273.787, 249.423], ['B', ' O ', 240.919, 273.608, 250.594], ['B', ' CB ', 239.851, 272.946, 247.52], ['B', ' CG ', 240.656, 273.1, 246.284], ['B', ' CD ', 240.72, 274.57, 246.03]]
[['B', ' N ', 242.538, 273.678, 249.042], ['B', ' CA ', 243.564, 273.269, 249.99], ['B', ' C ', 244.923, 273.719, 249.46], ['B', ' O ', 245.0, 274.541, 248.541], ['B', ' CB ', 243.487, 271.756, 250.237], ['B', ' CG ', 243.969, 270.959, 249.06], ['B', ' OD1', 245.197, 270.861, 248.88], ['B', ' OD2', 243.125, 270.432, 248.312]]
[['B', ' N ', 245.992, 273.168, 250.03], ['B', ' CA ', 247.356, 273.644, 249.812], ['B', ' C ', 248.114, 272.809, 248.788], ['B', ' O ', 249.309, 272.566, 248.942], ['B', ' CB ', 248.104, 273.677, 251.139], ['B', ' CG ', 247.5, 274.646, 252.143], ['B', ' CD ', 247.701, 274.179, 253.571], ['B', ' CE ', 248.995, 274.719, 254.145], ['B', ' NZ ', 248.938, 276.194, 254.32]]
[['B', ' N ', 247.443, 272.358, 247.734], ['B', ' CA ', 248.05, 271.554, 246.678], ['B', ' C ', 248.138, 272.375, 245.399], ['B', ' O ', 247.175, 273.047, 245.014], ['B', ' CB ', 247.249, 270.261, 246.44], ['B', ' CG1', 247.574, 269.682, 245.095], ['B', ' CG2', 247.56, 269.252, 247.52]]
[['B', ' N ', 249.293, 272.322, 244.747], ['B', ' CA ', 249.503, 272.956, 243.455], ['B', ' C ', 249.108, 271.999, 242.342], ['B', ' O ', 249.21, 270.783, 242.489], ['B', ' CB ', 250.969, 273.361, 243.306], ['B', ' CG ', 251.381, 273.723, 241.905], ['B', ' CD1', 251.779, 272.756, 241.003], ['B', ' CD2', 251.423, 275.038, 241.509], ['B', ' CE1', 252.171, 273.095, 239.731], ['B', ' CE2', 251.819, 275.379, 240.239], ['B', ' CZ ', 252.193, 274.407, 239.35]]
[['B', ' N ', 248.663, 272.561, 241.22], ['B', ' CA ', 248.418, 271.795, 240.004], ['B', ' C ', 248.736, 272.689, 238.815], ['B', ' O ', 248.904, 273.899, 238.957], ['B', ' CB ', 246.978, 271.272, 239.932], ['B', ' CG ', 246.596, 270.32, 241.048], ['B', ' CD ', 245.233, 269.709, 240.839], ['B', ' NE ', 244.8, 268.916, 241.985], ['B', ' CZ ', 244.528, 269.41, 243.189], ['B', ' NH1', 244.634, 270.708, 243.424], ['B', ' NH2', 244.138, 268.602, 244.163]]
[['B', ' N ', 248.824, 272.09, 237.631], ['B', ' CA ', 249.259, 272.835, 236.455], ['B', ' C ', 248.455, 272.43, 235.234], ['B', ' O ', 248.542, 271.284, 234.787], ['B', ' CB ', 250.748, 272.615, 236.189], ['B', ' OG ', 251.099, 273.077, 234.897]]
[['B', ' N ', 247.704, 273.383, 234.686], ['B', ' CA ', 247.052, 273.249, 233.385], ['B', ' C ', 246.18, 272.0, 233.312], ['B', ' O ', 246.193, 271.259, 232.328], ['B', ' CB ', 248.086, 273.255, 232.262], ['B', ' OG ', 247.47, 273.047, 231.006]]
[['B', ' N ', 245.41, 271.766, 234.371], ['B', ' CA ', 244.505, 270.628, 234.447], ['B', ' C ', 243.162, 271.102, 234.979], ['B', ' O ', 243.019, 272.223, 235.464], ['B', ' CB ', 245.052, 269.496, 235.336], ['B', ' CG1', 246.347, 268.952, 234.773], ['B', ' CG2', 245.249, 269.994, 236.748]]
[['B', ' N ', 242.169, 270.226, 234.871], ['B', ' CA ', 240.851, 270.441, 235.445], ['B', ' C ', 240.652, 269.467, 236.595], ['B', ' O ', 240.959, 268.279, 236.474], ['B', ' CB ', 239.748, 270.252, 234.407], ['B', ' CG ', 239.994, 270.853, 233.028], ['B', ' CD1', 238.753, 270.749, 232.184], ['B', ' CD2', 240.408, 272.29, 233.146]]
[['B', ' N ', 240.136, 269.974, 237.706], ['B', ' CA ', 240.052, 269.215, 238.94], ['B', ' C ', 238.629, 269.267, 239.474], ['B', ' O ', 237.946, 270.286, 239.36], ['B', ' CB ', 241.031, 269.767, 239.97], ['B', ' CG ', 241.144, 268.936, 241.205], ['B', ' CD2', 240.72, 269.156, 242.47], ['B', ' ND1', 241.78, 267.715, 241.221], ['B', ' CE1', 241.734, 267.214, 242.442], ['B', ' NE2', 241.095, 268.068, 243.219]]
[['B', ' N ', 238.182, 268.157, 240.053], ['B', ' CA ', 236.84, 268.047, 240.608], ['B', ' C ', 236.928, 268.01, 242.125], ['B', ' O ', 237.612, 267.153, 242.689], ['B', ' CB ', 236.132, 266.798, 240.088], ['B', ' OG ', 234.858, 266.649, 240.684]]
[['B', ' N ', 236.234, 268.933, 242.776], ['B', ' CA ', 236.277, 269.093, 244.22], ['B', ' C ', 234.899, 268.787, 244.795], ['B', ' O ', 233.89, 268.815, 244.089], ['B', ' CB ', 236.723, 270.513, 244.584], ['B', ' CG2', 237.1, 270.604, 246.052], ['B', ' OG1', 237.877, 270.854, 243.808]]
[['B', ' N ', 234.851, 268.483, 246.092], ['B', ' CA ', 233.595, 268.102, 246.718], ['B', ' C ', 233.247, 268.91, 247.961], ['B', ' O ', 232.09, 268.876, 248.388], ['B', ' CB ', 233.624, 266.606, 247.075], ['B', ' CG ', 232.29, 266.028, 247.52], ['B', ' CD ', 232.279, 264.516, 247.523], ['B', ' NE2', 231.086, 263.934, 247.52], ['B', ' OE1', 233.329, 263.876, 247.531]]
[['B', ' N ', 234.183, 269.654, 248.538], ['B', ' CA ', 233.955, 270.299, 249.822], ['B', ' C ', 233.118, 271.565, 249.638], ['B', ' O ', 232.545, 271.806, 248.575], ['B', ' CB ', 235.285, 270.577, 250.515], ['B', ' CG ', 235.839, 269.35, 251.22], ['B', ' OD1', 235.031, 268.521, 251.689], ['B', ' OD2', 237.078, 269.211, 251.303]]
[['B', ' N ', 233.039, 272.384, 250.684], ['B', ' CA ', 232.082, 273.481, 250.73], ['B', ' C ', 232.389, 274.56, 249.698], ['B', ' O ', 233.547, 274.854, 249.393], ['B', ' CB ', 232.065, 274.106, 252.119], ['B', ' CG ', 231.552, 273.188, 253.22], ['B', ' CD1', 231.073, 274.008, 254.391], ['B', ' CD2', 230.444, 272.298, 252.703]]
[['B', ' N ', 231.323, 275.162, 249.171], ['B', ' CA ', 231.413, 276.277, 248.24], ['B', ' C ', 230.143, 277.105, 248.362], ['B', ' O ', 229.257, 276.803, 249.164], ['B', ' CB ', 231.602, 275.796, 246.803], ['B', ' CG ', 232.934, 275.181, 246.542], ['B', ' CD1', 234.056, 275.966, 246.402], ['B', ' CD2', 233.065, 273.816, 246.439], ['B', ' CE1', 235.283, 275.399, 246.162], ['B', ' CE2', 234.286, 273.246, 246.205], ['B', ' CZ ', 235.398, 274.038, 246.066]]
[['B', ' N ', 230.06, 278.16, 247.553], ['B', ' CA ', 228.853, 278.967, 247.443], ['B', ' C ', 228.247, 278.76, 246.067], ['B', ' O ', 228.932, 279.013, 245.065], ['B', ' CB ', 229.16, 280.44, 247.663], ['B', ' CG ', 227.93, 281.327, 247.52], ['B', ' CD1', 226.997, 281.083, 248.676], ['B', ' CD2', 228.326, 282.783, 247.453]]
[['B', ' N ', 226.994, 278.32, 245.954], ['B', ' CA ', 226.468, 277.929, 244.642], ['B', ' C ', 226.463, 279.087, 243.656], ['B', ' O ', 226.324, 280.253, 244.029], ['B', ' CB ', 225.044, 277.461, 244.96], ['B', ' CG ', 225.069, 277.129, 246.399], ['B', ' CD ', 225.999, 278.111, 247.016]]
[['B', ' N ', 226.643, 278.752, 242.382], ['B', ' CA ', 226.557, 279.75, 241.33], ['B', ' C ', 225.121, 280.21, 241.123], ['B', ' O ', 224.164, 279.463, 241.345], ['B', ' CB ', 227.12, 279.209, 240.018], ['B', ' CG ', 228.607, 279.053, 240.014], ['B', ' CD1', 229.382, 279.654, 240.983], ['B', ' CD2', 229.233, 278.341, 239.02], ['B', ' CE1', 230.748, 279.524, 240.97], ['B', ' CE2', 230.598, 278.212, 239.005], ['B', ' CZ ', 231.354, 278.802, 239.979]]
[['B', ' N ', 224.986, 281.46, 240.681], ['B', ' CA ', 223.696, 282.1, 240.444], ['B', ' C ', 222.787, 281.96, 241.665], ['B', ' O ', 221.656, 281.482, 241.586], ['B', ' CB ', 223.032, 281.535, 239.189], ['B', ' CG ', 223.639, 282.027, 237.907], ['B', ' CD1', 224.802, 281.463, 237.413], ['B', ' CD2', 223.043, 283.049, 237.19], ['B', ' CE1', 225.359, 281.908, 236.228], ['B', ' CE2', 223.597, 283.499, 236.008], ['B', ' CZ ', 224.755, 282.928, 235.526]]
[['B', ' N ', 223.308, 282.388, 242.805], ['B', ' CA ', 222.621, 282.292, 244.081], ['B', ' C ', 222.193, 283.68, 244.54], ['B', ' O ', 222.407, 284.681, 243.853], ['B', ' CB ', 223.512, 281.626, 245.128], ['B', ' OG ', 223.04, 281.899, 246.434]]
[['B', ' N ', 221.576, 283.731, 245.719], ['B', ' CA ', 221.041, 284.966, 246.279], ['B', ' C ', 221.608, 285.211, 247.67], ['B', ' O ', 221.648, 284.302, 248.505], ['B', ' CB ', 219.51, 284.93, 246.309], ['B', ' CG ', 218.959, 283.652, 246.914], ['B', ' ND2', 217.643, 283.438, 246.806], ['B', ' OD1', 219.709, 282.854, 247.465]]
[['B', ' N ', 222.051, 286.441, 247.91], ['B', ' CA ', 222.602, 286.847, 249.197], ['B', ' C ', 221.642, 287.848, 249.817], ['B', ' O ', 220.57, 288.109, 249.264], ['B', ' CB ', 224.009, 287.446, 249.042], ['B', ' CG1', 224.946, 286.427, 248.439], ['B', ' CG2', 223.959, 288.687, 248.181]]
[['B', ' N ', 221.994, 288.398, 250.973], ['B', ' CA ', 221.202, 289.451, 251.596], ['B', ' C ', 222.103, 290.657, 251.824], ['B', ' O ', 223.011, 290.607, 252.658], ['B', ' CB ', 220.583, 288.96, 252.898], ['B', ' CG2', 219.425, 289.851, 253.29], ['B', ' OG1', 220.092, 287.628, 252.715]]
[['B', ' N ', 221.86, 291.736, 251.081], ['B', ' CA ', 222.68, 292.95, 251.141], ['B', ' C ', 222.169, 293.91, 252.205], ['B', ' O ', 221.41, 294.841, 251.935], ['B', ' CB ', 222.781, 293.577, 249.756], ['B', ' CG ', 223.589, 294.822, 249.679], ['B', ' CD1', 224.911, 294.951, 249.947], ['B', ' CD2', 223.209, 296.037, 249.014], ['B', ' CE2', 224.318, 296.903, 249.058], ['B', ' CE3', 222.023, 296.496, 248.437], ['B', ' NE1', 225.341, 296.221, 249.655], ['B', ' CZ2', 224.275, 298.201, 248.556], ['B', ' CZ3', 221.983, 297.79, 247.936], ['B', ' CH2', 223.1, 298.625, 248.003]]
[['B', ' N ', 222.655, 293.688, 253.428], ['B', ' CA ', 222.242, 294.406, 254.63], ['B', ' C ', 222.663, 295.863, 254.521], ['B', ' O ', 223.836, 296.194, 254.678], ['B', ' CB ', 222.874, 293.776, 255.863], ['B', ' CG ', 222.253, 292.482, 256.286], ['B', ' CD1', 222.271, 291.386, 255.46], ['B', ' CD2', 221.68, 292.354, 257.534], ['B', ' CE1', 221.72, 290.192, 255.866], ['B', ' CE2', 221.127, 291.16, 257.934], ['B', ' CZ ', 221.147, 290.082, 257.1]]
[['B', ' N ', 221.699, 296.744, 254.287], ['B', ' CA ', 221.981, 298.163, 254.148], ['B', ' C ', 222.271, 298.778, 255.507], ['B', ' O ', 221.549, 298.537, 256.477], ['B', ' CB ', 220.794, 298.875, 253.512], ['B', ' CG ', 220.397, 298.319, 252.183], ['B', ' CD2', 220.478, 298.839, 250.937], ['B', ' ND1', 219.791, 297.089, 252.046], ['B', ' CE1', 219.538, 296.864, 250.77], ['B', ' NE2', 219.933, 297.916, 250.078]]
[['B', ' N ', 223.324, 299.587, 255.569], ['B', ' CA ', 223.686, 300.285, 256.794], ['B', ' C ', 222.784, 301.508, 256.959], ['B', ' O ', 221.806, 301.692, 256.229], ['B', ' CB ', 225.165, 300.658, 256.772]]
[['B', ' N ', 223.102, 302.358, 257.928], ['B', ' CA ', 222.339, 303.58, 258.154], ['B', ' C ', 223.217, 304.629, 258.823], ['B', ' O ', 224.422, 304.685, 258.581], ['B', ' CB ', 221.078, 303.305, 258.99], ['B', ' CG1', 220.148, 304.523, 258.973], ['B', ' CG2', 221.453, 302.924, 260.409], ['B', ' CD1', 219.563, 304.829, 257.613]]
[['B', ' N ', 223.072, 298.759, 264.726], ['B', ' CA ', 222.179, 298.765, 263.573], ['B', ' C ', 222.442, 297.556, 262.679], ['B', ' O ', 222.474, 297.666, 261.448], ['B', ' CB ', 222.336, 300.063, 262.783], ['B', ' CG ', 221.863, 301.272, 263.56], ['B', ' OD1', 220.909, 301.132, 264.352], ['B', ' OD2', 222.454, 302.359, 263.392]]
[['B', ' N ', 222.638, 296.405, 263.317], ['B', ' CA ', 222.856, 295.131, 262.654], ['B', ' C ', 222.182, 294.012, 263.431], ['B', ' O ', 222.045, 294.095, 264.655], ['B', ' CB ', 224.353, 294.824, 262.527], ['B', ' CG ', 225.087, 294.97, 263.841], ['B', ' ND2', 226.385, 294.716, 263.822], ['B', ' OD1', 224.492, 295.302, 264.863]]
[['B', ' N ', 221.731, 292.969, 262.746], ['B', ' CA ', 221.256, 291.768, 263.431], ['B', ' C ', 222.337, 290.696, 263.503], ['B', ' O ', 223.262, 290.649, 262.692], ['B', ' CB ', 220.099, 291.314, 262.539], ['B', ' CG ', 220.555, 291.681, 261.19], ['B', ' CD ', 221.373, 292.95, 261.32]]
[['B', ' N ', 222.189, 289.818, 264.492], ['B', ' CA ', 223.04, 288.64, 264.596], ['B', ' C ', 222.63, 287.67, 263.498], ['B', ' O ', 221.546, 287.793, 262.92], ['B', ' CB ', 222.951, 287.988, 265.986], ['B', ' CG1', 223.473, 288.938, 267.048], ['B', ' CG2', 221.519, 287.587, 266.281]]
[['B', ' N ', 223.494, 286.71, 263.196], ['B', ' CA ', 223.334, 285.847, 262.042], ['B', ' C ', 223.7, 284.428, 262.442], ['B', ' O ', 224.502, 284.232, 263.361], ['B', ' CB ', 224.239, 286.316, 260.893], ['B', ' CG ', 223.898, 287.688, 260.301], ['B', ' CD1', 224.922, 288.13, 259.278], ['B', ' CD2', 222.519, 287.674, 259.68]]
[['B', ' N ', 223.133, 283.427, 261.786], ['B', ' CA ', 223.521, 282.039, 262.054], ['B', ' C ', 224.781, 281.657, 261.278], ['B', ' O ', 225.29, 282.402, 260.446], ['B', ' CB ', 222.302, 281.241, 261.592], ['B', ' CG ', 221.695, 282.078, 260.53], ['B', ' CD ', 221.966, 283.514, 260.893]]
[['B', ' N ', 225.288, 280.462, 261.586], ['B', ' CA ', 226.563, 279.995, 261.044], ['B', ' C ', 226.473, 278.469, 261.036], ['B', ' O ', 226.811, 277.825, 262.033], ['B', ' CB ', 227.713, 280.498, 261.907], ['B', ' CG ', 229.09, 280.282, 261.328], ['B', ' CD1', 229.597, 279.013, 261.127], ['B', ' CD2', 229.901, 281.366, 261.046], ['B', ' CE1', 230.862, 278.835, 260.622], ['B', ' CE2', 231.165, 281.19, 260.542], ['B', ' CZ ', 231.644, 279.925, 260.329]]
[['B', ' N ', 226.034, 277.903, 259.915], ['B', ' CA ', 225.7, 276.484, 259.866], ['B', ' C ', 226.926, 275.626, 259.584], ['B', ' O ', 227.275, 274.748, 260.378], ['B', ' CB ', 224.616, 276.24, 258.81], ['B', ' CG ', 223.925, 274.906, 258.986], ['B', ' ND2', 224.436, 273.883, 258.315], ['B', ' OD1', 222.947, 274.795, 259.724]]
[['B', ' N ', 227.584, 275.861, 258.455], ['B', ' CA ', 228.86, 275.222, 258.164], ['B', ' C ', 229.804, 276.164, 257.427], ['B', ' O ', 230.905, 275.748, 257.052], ['B', ' CB ', 228.642, 273.925, 257.369], ['B', ' CG ', 227.856, 274.144, 256.088], ['B', ' OD1', 227.401, 275.28, 255.851], ['B', ' OD2', 227.693, 273.178, 255.314]]
[['B', ' N ', 229.413, 277.415, 257.228], ['B', ' CA ', 230.233, 278.398, 256.563], ['B', ' C ', 229.427, 279.653, 256.328], ['B', ' O ', 228.203, 279.627, 256.465]]
[['B', ' N ', 230.085, 280.756, 255.995], ['B', ' CA ', 229.399, 282.0, 255.68], ['B', ' C ', 230.332, 282.854, 254.84], ['B', ' O ', 231.55, 282.843, 255.036], ['B', ' CB ', 228.948, 282.74, 256.953], ['B', ' CG1', 230.14, 283.184, 257.76], ['B', ' CG2', 228.063, 283.911, 256.605]]
[['B', ' N ', 229.761, 283.579, 253.892], ['B', ' CA ', 230.51, 284.351, 252.913], ['B', ' C ', 230.198, 285.825, 253.119], ['B', ' O ', 229.059, 286.252, 252.918], ['B', ' CB ', 230.141, 283.893, 251.504], ['B', ' CG ', 230.482, 284.863, 250.411], ['B', ' CD1', 231.742, 284.884, 249.86], ['B', ' CD2', 229.538, 285.746, 249.92], ['B', ' CE1', 232.06, 285.757, 248.866], ['B', ' CE2', 229.849, 286.627, 248.92], ['B', ' CZ ', 231.114, 286.629, 248.398], ['B', ' OH ', 231.437, 287.506, 247.395]]
[['B', ' N ', 231.2, 286.597, 253.521], ['B', ' CA ', 231.016, 288.0, 253.867], ['B', ' C ', 231.822, 288.858, 252.904], ['B', ' O ', 233.047, 288.735, 252.833], ['B', ' CB ', 231.435, 288.248, 255.315], ['B', ' CG ', 231.237, 289.662, 255.789], ['B', ' CD1', 232.173, 290.639, 255.52], ['B', ' CD2', 230.137, 289.999, 256.548], ['B', ' CE1', 232.0, 291.918, 255.972], ['B', ' CE2', 229.967, 291.281, 257.001], ['B', ' CZ ', 230.899, 292.24, 256.712]]
[['B', ' N ', 231.138, 289.735, 252.182], ['B', ' CA ', 231.758, 290.601, 251.195], ['B', ' C ', 231.305, 292.029, 251.43], ['B', ' O ', 230.147, 292.267, 251.775], ['B', ' CB ', 231.393, 290.168, 249.78]]
[['B', ' N ', 232.209, 292.981, 251.23], ['B', ' CA ', 231.899, 294.378, 251.474], ['B', ' C ', 232.347, 295.242, 250.307], ['B', ' O ', 233.307, 294.921, 249.602], ['B', ' CB ', 232.563, 294.884, 252.747], ['B', ' OG ', 232.279, 294.03, 253.829]]
[['B', ' N ', 231.623, 296.336, 250.105], ['B', ' CA ', 232.066, 297.451, 249.28], ['B', ' C ', 232.226, 298.629, 250.225], ['B', ' O ', 231.232, 299.195, 250.69], ['B', ' CB ', 231.069, 297.763, 248.174], ['B', ' CG2', 230.588, 296.48, 247.534], ['B', ' OG1', 229.954, 298.47, 248.731]]
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[['B', ' N ', 248.661, 287.55, 266.707], ['B', ' CA ', 248.897, 288.848, 266.095], ['B', ' C ', 249.525, 288.647, 264.72], ['B', ' O ', 250.219, 287.655, 264.468], ['B', ' CB ', 249.794, 289.7, 267.012], ['B', ' CG1', 250.118, 291.04, 266.386], ['B', ' CG2', 249.134, 289.888, 268.359]]
[['B', ' N ', 249.266, 289.582, 263.812], ['B', ' CA ', 249.889, 289.543, 262.495], ['B', ' C ', 250.011, 290.942, 261.894], ['B', ' O ', 249.054, 291.715, 261.891], ['B', ' CB ', 249.099, 288.63, 261.557], ['B', ' OG ', 249.674, 288.601, 260.261]]
[['B', ' N ', 236.933, 303.898, 244.888], ['B', ' CA ', 235.797, 302.986, 244.886], ['B', ' C ', 236.243, 301.578, 244.505], ['B', ' O ', 235.471, 300.624, 244.592], ['B', ' CB ', 234.716, 303.48, 243.923], ['B', ' CG ', 233.378, 302.828, 244.121], ['B', ' CD1', 232.534, 303.245, 245.136], ['B', ' CD2', 232.963, 301.797, 243.295], ['B', ' CE1', 231.301, 302.648, 245.321], ['B', ' CE2', 231.733, 301.195, 243.475], ['B', ' CZ ', 230.9, 301.622, 244.489]]
[['B', ' N ', 237.504, 301.453, 244.094], ['B', ' CA ', 238.025, 300.174, 243.628], ['B', ' C ', 238.509, 299.316, 244.789], ['B', ' O ', 239.627, 298.792, 244.757], ['B', ' CB ', 239.164, 300.396, 242.63], ['B', ' CG ', 238.724, 300.485, 241.178], ['B', ' CD ', 238.057, 301.816, 240.878], ['B', ' CE ', 239.006, 302.981, 241.092], ['B', ' NZ ', 238.403, 304.267, 240.644]]
[['B', ' N ', 237.672, 299.157, 245.811], ['B', ' CA ', 237.966, 298.29, 246.948], ['B', ' C ', 236.758, 297.4, 247.201], ['B', ' O ', 235.689, 297.886, 247.585], ['B', ' CB ', 238.329, 299.095, 248.198], ['B', ' CG ', 239.74, 299.655, 248.146], ['B', ' ND2', 240.724, 298.766, 248.175], ['B', ' OD1', 239.943, 300.868, 248.096]]
[['B', ' N ', 236.936, 296.099, 246.985], ['B', ' CA ', 235.875, 295.106, 247.116], ['B', ' C ', 236.387, 294.044, 248.082], ['B', ' O ', 236.988, 293.057, 247.654], ['B', ' CB ', 235.519, 294.497, 245.76], ['B', ' CG ', 234.658, 295.262, 244.753], ['B', ' CD1', 235.418, 296.426, 244.132], ['B', ' CD2', 234.15, 294.327, 243.676]]
[['B', ' N ', 236.164, 294.246, 249.375], ['B', ' CA ', 236.498, 293.208, 250.338], ['B', ' C ', 235.718, 291.946, 249.998], ['B', ' O ', 234.565, 292.004, 249.568], ['B', ' CB ', 236.175, 293.671, 251.756], ['B', ' CG ', 236.753, 292.802, 252.844], ['B', ' CD ', 238.247, 293.003, 252.893], ['B', ' NE ', 238.598, 294.409, 253.085], ['B', ' CZ ', 238.92, 294.952, 254.253], ['B', ' NH1', 238.956, 294.205, 255.348], ['B', ' NH2', 239.221, 296.24, 254.322]]
[['B', ' N ', 236.359, 290.793, 250.16], ['B', ' CA ', 235.804, 289.566, 249.599], ['B', ' C ', 236.316, 288.402, 250.436], ['B', ' O ', 237.434, 287.933, 250.21], ['B', ' CB ', 236.231, 289.445, 248.139], ['B', ' CG ', 235.712, 288.26, 247.338], ['B', ' CD ', 234.206, 288.286, 247.131], ['B', ' OE1', 233.612, 289.381, 247.157], ['B', ' OE2', 233.621, 287.216, 246.881]]
[['B', ' N ', 235.514, 287.93, 251.389], ['B', ' CA ', 235.969, 286.961, 252.378], ['B', ' C ', 235.248, 285.63, 252.233], ['B', ' O ', 234.305, 285.482, 251.457], ['B', ' CB ', 235.749, 287.468, 253.807], ['B', ' CG ', 236.817, 288.38, 254.309], ['B', ' CD1', 237.81, 288.839, 253.475], ['B', ' CD2', 236.827, 288.776, 255.629], ['B', ' CE1', 238.788, 289.681, 253.949], ['B', ' CE2', 237.802, 289.617, 256.103], ['B', ' CZ ', 238.783, 290.069, 255.264]]
[['B', ' N ', 235.715, 284.668, 253.027], ['B', ' CA ', 235.11, 283.353, 253.231], ['B', ' C ', 235.451, 282.919, 254.646], ['B', ' O ', 236.565, 283.16, 255.112], ['B', ' CB ', 235.62, 282.302, 252.225], ['B', ' CG1', 235.176, 280.925, 252.631], ['B', ' CG2', 235.112, 282.59, 250.84]]
[['B', ' N ', 234.506, 282.302, 255.346], ['B', ' CA ', 234.755, 281.777, 256.682], ['B', ' C ', 234.268, 280.341, 256.772], ['B', ' O ', 233.29, 279.969, 256.123], ['B', ' CB ', 234.073, 282.618, 257.758], ['B', ' CG ', 234.643, 283.998, 257.906], ['B', ' CD1', 234.535, 284.928, 256.891], ['B', ' CD2', 235.26, 284.374, 259.077], ['B', ' CE1', 235.049, 286.189, 257.032], ['B', ' CE2', 235.772, 285.637, 259.223], ['B', ' CZ ', 235.664, 286.547, 258.197]]
[['B', ' N ', 234.952, 279.531, 257.572], ['B', ' CA ', 234.603, 278.124, 257.673], ['B', ' C ', 235.133, 277.572, 258.989], ['B', ' O ', 236.037, 278.142, 259.602], ['B', ' CB ', 235.153, 277.338, 256.476], ['B', ' CG ', 234.361, 276.094, 256.137], ['B', ' CD ', 234.968, 275.349, 254.968], ['B', ' CE ', 236.065, 274.414, 255.422], ['B', ' NZ ', 236.51, 273.518, 254.322]]
[['B', ' N ', 234.548, 276.459, 259.429], ['B', ' CA ', 234.929, 275.854, 260.704], ['B', ' C ', 234.591, 274.369, 260.63], ['B', ' O ', 233.442, 273.983, 260.857], ['B', ' CB ', 234.208, 276.538, 261.857], ['B', ' CG ', 234.552, 275.947, 263.215], ['B', ' ND2', 234.018, 276.553, 264.265], ['B', ' OD1', 235.281, 274.963, 263.321]]
[['B', ' N ', 235.593, 273.546, 260.332], ['B', ' CA ', 235.426, 272.101, 260.254], ['B', ' C ', 236.584, 271.43, 260.975], ['B', ' O ', 237.715, 271.928, 260.949], ['B', ' CB ', 235.343, 271.608, 258.795], ['B', ' CG1', 236.623, 271.958, 258.039], ['B', ' CG2', 234.128, 272.191, 258.098], ['B', ' CD1', 236.93, 271.011, 256.895]]
[['B', ' N ', 236.289, 270.318, 261.65], ['B', ' CA ', 237.248, 269.415, 262.28], ['B', ' C ', 237.916, 270.095, 263.478], ['B', ' O ', 238.731, 269.476, 264.163], ['B', ' CB ', 238.303, 268.927, 261.268], ['B', ' CG ', 239.194, 267.801, 261.794], ['B', ' OD1', 239.057, 267.365, 262.954], ['B', ' OD2', 240.057, 267.343, 261.018]]
[['B', ' N ', 237.578, 271.345, 263.768], ['B', ' CA ', 238.212, 272.082, 264.843], ['B', ' C ', 239.176, 273.152, 264.384], ['B', ' O ', 239.829, 273.775, 265.232]]
[['B', ' N ', 239.312, 273.397, 263.087], ['B', ' CA ', 240.157, 274.463, 262.57], ['B', ' C ', 239.263, 275.532, 261.966], ['B', ' O ', 238.497, 275.251, 261.04], ['B', ' CB ', 241.133, 273.933, 261.522], ['B', ' CG ', 242.245, 273.085, 262.078], ['B', ' CD1', 243.44, 273.655, 262.48], ['B', ' CD2', 242.102, 271.711, 262.193], ['B', ' CE1', 244.46, 272.884, 262.983], ['B', ' CE2', 243.117, 270.93, 262.695], ['B', ' CZ ', 244.294, 271.521, 263.09], ['B', ' OH ', 245.312, 270.746, 263.594]]
[['B', ' N ', 239.361, 276.749, 262.48], ['B', ' CA ', 238.607, 277.87, 261.939], ['B', ' C ', 239.402, 278.477, 260.792], ['B', ' O ', 240.504, 278.996, 261.004], ['B', ' CB ', 238.331, 278.909, 263.022], ['B', ' CG ', 237.788, 280.201, 262.497], ['B', ' CD1', 236.444, 280.337, 262.226], ['B', ' CD2', 238.622, 281.282, 262.283], ['B', ' CE1', 235.946, 281.52, 261.748], ['B', ' CE2', 238.128, 282.467, 261.803], ['B', ' CZ ', 236.789, 282.587, 261.536]]
[['B', ' N ', 238.85, 278.412, 259.583], ['B', ' CA ', 239.543, 278.891, 258.4], ['B', ' C ', 239.184, 280.345, 258.114], ['B', ' O ', 238.424, 280.983, 258.84], ['B', ' CB ', 239.218, 278.013, 257.196], ['B', ' CG ', 240.12, 276.815, 257.04], ['B', ' CD ', 239.729, 275.701, 257.972], ['B', ' CE ', 240.024, 274.362, 257.334], ['B', ' NZ ', 239.64, 273.23, 258.215]]
[['B', ' N ', 239.758, 280.876, 257.04], ['B', ' CA ', 239.469, 282.219, 256.563], ['B', ' C ', 240.077, 282.321, 255.171], ['B', ' O ', 241.05, 281.624, 254.867], ['B', ' CB ', 240.028, 283.284, 257.523], ['B', ' CG1', 239.383, 284.646, 257.281], ['B', ' CG2', 241.513, 283.407, 257.364], ['B', ' CD1', 239.637, 285.64, 258.399]]
[['B', ' N ', 239.503, 283.149, 254.302], ['B', ' CA ', 240.013, 283.296, 252.945], ['B', ' C ', 239.749, 284.718, 252.482], ['B', ' O ', 238.833, 285.373, 252.982], ['B', ' CB ', 239.36, 282.294, 251.989], ['B', ' CG ', 239.681, 280.843, 252.283], ['B', ' CD1', 240.805, 280.24, 251.751], ['B', ' CD2', 238.855, 280.077, 253.086], ['B', ' CE1', 241.097, 278.923, 252.015], ['B', ' CE2', 239.143, 278.759, 253.353], ['B', ' CZ ', 240.265, 278.19, 252.817], ['B', ' OH ', 240.557, 276.876, 253.075]]
[['B', ' N ', 240.549, 285.201, 251.53], ['B', ' CA ', 240.389, 286.598, 251.138], ['B', ' C ', 241.117, 286.907, 249.844], ['B', ' O ', 242.103, 286.256, 249.496], ['B', ' CB ', 240.904, 287.543, 252.222], ['B', ' OG ', 240.926, 288.876, 251.743]]
[['B', ' N ', 240.624, 287.938, 249.157], ['B', ' CA ', 241.302, 288.586, 248.042], ['B', ' C ', 240.586, 289.9, 247.76], ['B', ' O ', 239.356, 289.959, 247.798], ['B', ' CB ', 241.319, 287.72, 246.777], ['B', ' CG ', 242.08, 288.359, 245.622], ['B', ' CD ', 241.818, 287.653, 244.305], ['B', ' CE ', 242.5, 288.334, 243.124], ['B', ' NZ ', 243.96, 288.054, 243.046]]
[['B', ' N ', 241.357, 290.948, 247.489], ['B', ' CA ', 240.82, 292.251, 247.118], ['B', ' C ', 241.085, 292.456, 245.635], ['B', ' O ', 242.221, 292.285, 245.181], ['B', ' CB ', 241.462, 293.378, 247.926], ['B', ' CG ', 241.49, 293.14, 249.404], ['B', ' CD2', 242.016, 293.862, 250.421], ['B', ' ND1', 240.919, 292.027, 249.981], ['B', ' CE1', 241.086, 292.077, 251.29], ['B', ' NE2', 241.749, 293.18, 251.583]]
[['B', ' N ', 240.054, 292.826, 244.886], ['B', ' CA ', 240.162, 292.954, 243.434], ['B', ' C ', 239.4, 294.172, 242.934], ['B', ' O ', 238.183, 294.286, 243.189], ['B', ' CB ', 239.651, 291.691, 242.75], ['B', ' CG2', 239.902, 291.767, 241.261], ['B', ' OG1', 240.345, 290.557, 243.277]]
[['B', ' N ', 240.051, 295.088, 242.229], ['B', ' CA ', 239.355, 296.254, 241.669], ['B', ' C ', 238.713, 295.923, 240.331], ['B', ' O ', 239.401, 295.644, 239.344], ['B', ' CB ', 240.48, 297.292, 241.525], ['B', ' CG ', 241.784, 296.559, 241.813], ['B', ' CD ', 241.489, 295.103, 241.929]]
[['B', ' N ', 237.381, 295.97, 240.29], ['B', ' CA ', 236.591, 295.652, 239.108], ['B', ' C ', 235.666, 296.84, 238.837], ['B', ' O ', 235.754, 297.873, 239.498], ['B', ' CB ', 235.808, 294.327, 239.275], ['B', ' CG1', 236.747, 293.212, 239.721], ['B', ' CG2', 235.24, 293.819, 237.953], ['B', ' CD1', 237.773, 292.838, 238.667]]
[['B', ' N ', 234.792, 296.695, 237.838], ['B', ' CA ', 233.872, 297.743, 237.413], ['B', ' C ', 233.072, 298.3, 238.584], ['B', ' O ', 232.947, 297.654, 239.63], ['B', ' CB ', 232.926, 297.215, 236.331], ['B', ' CG ', 232.296, 298.327, 235.512], ['B', ' ND2', 231.468, 297.951, 234.544], ['B', ' OD1', 232.549, 299.508, 235.747]]
[['B', ' N ', 232.517, 299.496, 238.411], ['B', ' CA ', 232.059, 300.285, 239.544], ['B', ' C ', 230.563, 300.555, 239.482], ['B', ' O ', 230.136, 301.693, 239.702], ['B', ' CB ', 232.813, 301.617, 239.587], ['B', ' CG ', 234.272, 301.65, 240.046], ['B', ' CD1', 235.192, 301.049, 238.993], ['B', ' CD2', 234.685, 303.078, 240.358]]
[['B', ' N ', 229.748, 299.544, 239.183], ['B', ' CA ', 228.337, 299.845, 238.983], ['B', ' C ', 227.64, 299.993, 240.329], ['B', ' O ', 227.352, 301.115, 240.758], ['B', ' CB ', 227.66, 298.757, 238.132], ['B', ' CG1', 226.203, 299.109, 237.882], ['B', ' CG2', 228.407, 298.572, 236.821]]
[['B', ' N ', 227.369, 298.88, 241.015], ['B', ' CA ', 226.998, 298.967, 242.423], ['B', ' C ', 227.559, 297.828, 243.269], ['B', ' O ', 228.028, 298.048, 244.389], ['B', ' CB ', 225.475, 299.03, 242.563], ['B', ' CG ', 224.992, 299.274, 243.987], ['B', ' CD ', 225.398, 300.646, 244.502], ['B', ' NE ', 225.02, 301.723, 243.592], ['B', ' CZ ', 225.888, 302.476, 242.925], ['B', ' NH1', 227.191, 302.27, 243.061], ['B', ' NH2', 225.456, 303.435, 242.118]]
[['B', ' N ', 227.533, 296.612, 242.729], ['B', ' CA ', 227.585, 295.385, 243.512], ['B', ' C ', 228.695, 294.462, 243.028], ['B', ' O ', 229.578, 294.856, 242.259], ['B', ' CB ', 226.236, 294.663, 243.461], ['B', ' CG ', 225.074, 295.566, 243.79], ['B', ' OD1', 225.141, 296.271, 244.815], ['B', ' OD2', 224.091, 295.572, 243.023]]
[['B', ' N ', 228.65, 293.223, 243.508], ['B', ' CA ', 229.55, 292.152, 243.112], ['B', ' C ', 229.499, 291.987, 241.601], ['B', ' O ', 228.515, 291.466, 241.067], ['B', ' CB ', 229.146, 290.852, 243.803], ['B', ' CG ', 228.908, 290.935, 245.315], ['B', ' CD1', 228.222, 289.68, 245.839], ['B', ' CD2', 230.218, 291.18, 246.052]]
[['B', ' N ', 230.531, 292.408, 240.882], ['B', ' CA ', 230.46, 292.389, 239.421], ['B', ' C ', 230.524, 290.972, 238.884], ['B', ' O ', 231.063, 290.063, 239.52], ['B', ' CB ', 231.682, 293.209, 238.986], ['B', ' CG ', 232.455, 293.521, 240.245], ['B', ' CD ', 231.878, 292.729, 241.367]]
[['B', ' N ', 229.959, 290.791, 237.692], ['B', ' CA ', 229.868, 289.47, 237.074], ['B', ' C ', 231.185, 289.152, 236.364], ['B', ' O ', 231.284, 289.089, 235.137], ['B', ' CB ', 228.675, 289.408, 236.129], ['B', ' CG ', 228.237, 287.998, 235.773], ['B', ' CD ', 226.988, 287.972, 234.911], ['B', ' NE2', 226.601, 286.782, 234.466], ['B', ' OE1', 226.38, 289.01, 234.647]]
[['B', ' N ', 232.216, 288.962, 237.183], ['B', ' CA ', 233.529, 288.546, 236.747], ['B', ' C ', 233.953, 287.283, 237.476], ['B', ' O ', 233.126, 286.532, 238.0]]
[['B', ' N ', 235.264, 287.052, 237.503], ['B', ' CA ', 235.808, 285.902, 238.206], ['B', ' C ', 237.106, 286.275, 238.904], ['B', ' O ', 237.869, 287.117, 238.426], ['B', ' CB ', 236.056, 284.72, 237.27], ['B', ' CG ', 236.182, 283.418, 237.987], ['B', ' CD1', 235.068, 282.792, 238.513], ['B', ' CD2', 237.42, 282.841, 238.178], ['B', ' CE1', 235.185, 281.6, 239.191], ['B', ' CE2', 237.542, 281.648, 238.855], ['B', ' CZ ', 236.423, 281.029, 239.36]]
[['B', ' N ', 237.346, 285.626, 240.042], ['B', ' CA ', 238.562, 285.796, 240.823], ['B', ' C ', 238.577, 284.749, 241.923], ['B', ' O ', 237.534, 284.441, 242.503], ['B', ' CB ', 238.647, 287.197, 241.433], ['B', ' OG ', 237.982, 287.237, 242.682]]
[['B', ' N ', 239.759, 284.218, 242.21], ['B', ' CA ', 239.934, 283.164, 243.196], ['B', ' C ', 240.298, 283.749, 244.553], ['B', ' O ', 240.72, 284.898, 244.667], ['B', ' CB ', 241.014, 282.183, 242.743]]
[['B', ' N ', 240.13, 282.941, 245.59], ['B', ' CA ', 240.394, 283.367, 246.955], ['B', ' C ', 241.417, 282.45, 247.609], ['B', ' O ', 241.319, 281.224, 247.508], ['B', ' CB ', 239.107, 283.388, 247.775], ['B', ' CG ', 238.389, 284.732, 247.86], ['B', ' CD1', 237.947, 285.211, 246.501], ['B', ' CD2', 237.201, 284.609, 248.776]]
[['B', ' N ', 242.387, 283.055, 248.305], ['B', ' CA ', 243.536, 282.414, 248.914], ['B', ' C ', 243.441, 282.442, 250.433], ['B', ' O ', 242.92, 283.407, 251.0], ['B', ' CB ', 244.813, 283.129, 248.479], ['B', ' CG ', 244.807, 283.51, 247.017], ['B', ' CD ', 245.796, 284.607, 246.696], ['B', ' OE1', 246.369, 285.183, 247.642], ['B', ' OE2', 246.001, 284.895, 245.499]]
[['B', ' N ', 243.928, 281.412, 251.117], ['B', ' CA ', 243.878, 281.406, 252.583], ['B', ' C ', 244.801, 282.44, 253.206], ['B', ' O ', 245.804, 282.848, 252.62], ['B', ' CB ', 244.319, 279.984, 252.951], ['B', ' CG ', 244.958, 279.436, 251.731], ['B', ' CD ', 244.322, 280.107, 250.569]]
[['B', ' N ', 244.429, 282.887, 254.407], ['B', ' CA ', 245.284, 283.759, 255.207], ['B', ' C ', 245.662, 283.152, 256.551], ['B', ' O ', 246.853, 282.994, 256.84], ['B', ' CB ', 244.599, 285.11, 255.439], ['B', ' CG ', 243.796, 285.737, 254.311], ['B', ' CD1', 243.291, 287.083, 254.766], ['B', ' CD2', 244.669, 285.885, 253.084]]
[['B', ' N ', 244.682, 282.8, 257.381], ['B', ' CA ', 244.886, 282.611, 258.813], ['B', ' C ', 244.143, 281.356, 259.252], ['B', ' O ', 242.917, 281.379, 259.402], ['B', ' CB ', 244.402, 283.822, 259.625], ['B', ' CG1', 244.445, 283.522, 261.103], ['B', ' CG2', 245.228, 285.052, 259.304]]
[['B', ' N ', 244.874, 280.272, 259.476], ['B', ' CA ', 244.31, 279.05, 260.031], ['B', ' C ', 244.522, 279.066, 261.536], ['B', ' O ', 245.637, 279.313, 262.007], ['B', ' CB ', 244.957, 277.811, 259.409], ['B', ' CG ', 244.271, 276.52, 259.82], ['B', ' OD1', 243.985, 276.333, 261.021], ['B', ' OD2', 244.011, 275.685, 258.932]]
[['B', ' N ', 243.458, 278.799, 262.287], ['B', ' CA ', 243.531, 278.836, 263.733], ['B', ' C ', 243.125, 277.495, 264.328], ['B', ' O ', 242.054, 276.969, 263.994], ['B', ' CB ', 242.639, 279.941, 264.298], ['B', ' CG ', 243.099, 281.371, 264.031], ['B', ' CD1', 242.47, 282.288, 265.047], ['B', ' CD2', 244.608, 281.474, 264.09]]
[['B', ' N ', 243.939, 276.918, 265.201], ['B', ' CA ', 243.545, 275.684, 265.892], ['B', ' C ', 242.632, 275.943, 267.08], ['B', ' O ', 242.551, 275.109, 267.987], ['B', ' CB ', 244.888, 275.086, 266.339], ['B', ' CG ', 245.936, 275.812, 265.531], ['B', ' CD ', 245.379, 277.183, 265.34]]
[['B', ' N ', 241.967, 277.103, 267.098], ['B', ' CA ', 241.17, 277.508, 268.259], ['B', ' C ', 240.143, 276.437, 268.619], ['B', ' O ', 239.98, 276.079, 269.791], ['B', ' CB ', 240.499, 278.869, 267.999], ['B', ' CG1', 239.692, 278.847, 266.702], ['B', ' CG2', 241.534, 279.956, 267.92], ['B', ' CD1', 238.859, 280.084, 266.487]]
[['B', ' N ', 239.439, 275.912, 267.62], ['B', ' CA ', 238.519, 274.812, 267.83], ['B', ' C ', 237.427, 275.057, 268.847], ['B', ' O ', 237.409, 274.422, 269.905]]
[['B', ' N ', 236.507, 275.969, 268.547], ['B', ' CA ', 235.361, 276.218, 269.407], ['B', ' C ', 234.095, 275.807, 268.668], ['B', ' O ', 234.107, 275.527, 267.467], ['B', ' CB ', 235.281, 277.686, 269.865], ['B', ' CG1', 235.053, 278.606, 268.673], ['B', ' CG2', 236.552, 278.078, 270.589], ['B', ' CD1', 234.699, 280.012, 269.063]]
[['B', ' N ', 232.993, 275.758, 269.41], ['B', ' CA ', 231.707, 275.303, 268.886], ['B', ' C ', 230.893, 276.535, 268.509], ['B', ' O ', 230.243, 277.147, 269.36], ['B', ' CB ', 231.0, 274.434, 269.921], ['B', ' CG ', 229.655, 273.918, 269.447], ['B', ' ND2', 229.528, 272.6, 269.362], ['B', ' OD1', 228.74, 274.69, 269.167]]
[['B', ' N ', 230.92, 276.899, 267.229], ['B', ' CA ', 230.281, 278.12, 266.749], ['B', ' C ', 228.911, 277.787, 266.183], ['B', ' O ', 228.772, 276.866, 265.37], ['B', ' CB ', 231.143, 278.816, 265.685], ['B', ' CG1', 232.521, 279.156, 266.236], ['B', ' CG2', 230.459, 280.079, 265.199], ['B', ' CD1', 233.448, 279.741, 265.2]]
[['B', ' N ', 227.893, 278.524, 266.625], ['B', ' CA ', 226.576, 278.504, 265.997], ['B', ' C ', 225.972, 279.905, 265.997], ['B', ' O ', 224.796, 280.095, 266.323], ['B', ' CB ', 225.649, 277.499, 266.679], ['B', ' CG2', 224.486, 277.138, 265.766], ['B', ' OG1', 226.377, 276.298, 266.96]]
[['B', ' N ', 226.772, 280.905, 265.654], ['B', ' CA ', 226.287, 282.273, 265.478], ['B', ' C ', 227.366, 283.046, 264.725], ['B', ' O ', 228.389, 282.477, 264.325], ['B', ' CB ', 225.917, 282.916, 266.816], ['B', ' CG ', 224.896, 284.04, 266.69], ['B', ' CD ', 224.462, 284.59, 268.041], ['B', ' NE ', 223.599, 283.669, 268.774], ['B', ' CZ ', 222.272, 283.679, 268.71], ['B', ' NH1', 221.649, 284.561, 267.945], ['B', ' NH2', 221.567, 282.804, 269.409]]
[['B', ' N ', 227.142, 284.345, 264.535], ['B', ' CA ', 227.909, 285.184, 263.624], ['B', ' C ', 227.464, 286.62, 263.84], ['B', ' O ', 226.311, 286.864, 264.193], ['B', ' CB ', 227.676, 284.742, 262.172], ['B', ' CG ', 228.4, 285.56, 261.142], ['B', ' CD1', 229.759, 285.428, 260.953], ['B', ' CD2', 227.701, 286.422, 260.315], ['B', ' CE1', 230.408, 286.172, 259.985], ['B', ' CE2', 228.344, 287.162, 259.351], ['B', ' CZ ', 229.697, 287.038, 259.185]]
[['B', ' N ', 228.374, 287.564, 263.641], ['B', ' CA ', 228.045, 288.958, 263.923], ['B', ' C ', 229.096, 289.833, 263.246], ['B', ' O ', 230.005, 289.333, 262.577], ['B', ' CB ', 227.968, 289.174, 265.436], ['B', ' CG ', 227.229, 290.417, 265.898], ['B', ' CD ', 228.113, 291.632, 266.018], ['B', ' NE2', 227.531, 292.804, 265.801], ['B', ' OE1', 229.31, 291.524, 266.277]]
[['B', ' N ', 228.955, 291.148, 263.4], ['B', ' CA ', 229.935, 292.097, 262.893], ['B', ' C ', 230.11, 293.264, 263.863], ['B', ' O ', 229.143, 293.752, 264.451], ['B', ' CB ', 229.542, 292.596, 261.495], ['B', ' CG2', 228.134, 293.14, 261.485], ['B', ' OG1', 230.453, 293.613, 261.071]]
[['B', ' N ', 231.356, 293.708, 264.017], ['B', ' CA ', 231.748, 294.761, 264.956], ['B', ' C ', 232.233, 295.962, 264.145], ['B', ' O ', 233.417, 296.053, 263.808], ['B', ' CB ', 232.838, 294.247, 265.897], ['B', ' CG ', 233.138, 294.877, 267.26], ['B', ' CD1', 233.905, 293.882, 268.117], ['B', ' CD2', 233.92, 296.175, 267.13]]
[['B', ' N ', 231.337, 296.901, 263.855], ['B', ' CA ', 231.638, 297.995, 262.945], ['B', ' C ', 231.575, 299.325, 263.679], ['B', ' O ', 230.795, 299.498, 264.619], ['B', ' CB ', 230.663, 298.022, 261.772], ['B', ' CG ', 230.669, 296.818, 260.831], ['B', ' CD1', 230.175, 297.22, 259.447], ['B', ' CD2', 232.043, 296.188, 260.755]]
[['B', ' N ', 232.399, 300.269, 263.23], ['B', ' CA ', 232.414, 301.599, 263.82], ['B', ' C ', 231.117, 302.339, 263.504], ['B', ' O ', 230.369, 301.973, 262.594], ['B', ' CB ', 233.612, 302.4, 263.317]]
[['B', ' N ', 230.849, 303.389, 264.277], ['B', ' CA ', 229.608, 304.148, 264.143], ['B', ' C ', 229.878, 305.65, 264.224], ['B', ' O ', 229.182, 306.393, 264.917], ['B', ' CB ', 228.595, 303.721, 265.204], ['B', ' CG ', 227.122, 303.975, 264.888], ['B', ' CD1', 226.633, 302.996, 263.838], ['B', ' CD2', 226.273, 303.895, 266.142]]
[['B', ' N ', 230.904, 306.119, 263.518], ['B', ' CA ', 231.134, 307.56, 263.418], ['B', ' C ', 231.589, 307.937, 262.013], ['B', ' O ', 230.788, 308.384, 261.19], ['B', ' CB ', 232.162, 308.034, 264.455], ['B', ' CG ', 233.576, 308.06, 263.957], ['B', ' CD2', 234.342, 309.083, 263.51], ['B', ' ND1', 234.373, 306.936, 263.905], ['B', ' CE1', 235.564, 307.264, 263.435], ['B', ' NE2', 235.571, 308.562, 263.187]]
[['B', ' N ', 228.482, 300.558, 250.262], ['B', ' CA ', 228.127, 301.253, 251.494], ['B', ' C ', 227.567, 300.286, 252.535], ['B', ' O ', 227.038, 300.702, 253.566], ['B', ' CB ', 227.126, 302.352, 251.203]]
[['B', ' N ', 227.697, 298.994, 252.26], ['B', ' CA ', 227.118, 297.95, 253.094], ['B', ' C ', 227.876, 296.66, 252.824], ['B', ' O ', 228.976, 296.676, 252.262], ['B', ' CB ', 225.621, 297.808, 252.818]]
[['B', ' N ', 227.298, 295.534, 253.226], ['B', ' CA ', 227.958, 294.265, 252.963], ['B', ' C ', 227.0, 293.216, 252.423], ['B', ' O ', 225.79, 293.435, 252.378], ['B', ' CB ', 228.645, 293.76, 254.226], ['B', ' CG ', 227.798, 293.777, 255.475], ['B', ' CD1', 227.8, 294.872, 256.322], ['B', ' CD2', 227.028, 292.683, 255.825], ['B', ' CE1', 227.046, 294.881, 257.468], ['B', ' CE2', 226.269, 292.686, 256.971], ['B', ' CZ ', 226.282, 293.785, 257.786], ['B', ' OH ', 225.522, 293.784, 258.927]]
[['B', ' N ', 227.532, 292.072, 252.015], ['B', ' CA ', 226.737, 291.003, 251.424], ['B', ' C ', 226.999, 289.745, 252.227], ['B', ' O ', 228.137, 289.517, 252.641], ['B', ' CB ', 227.117, 290.781, 249.961], ['B', ' CG ', 227.12, 292.018, 249.09], ['B', ' CD1', 228.213, 292.867, 249.057], ['B', ' CD2', 226.018, 292.349, 248.322], ['B', ' CE1', 228.216, 293.992, 248.272], ['B', ' CE2', 226.024, 293.467, 247.521], ['B', ' CZ ', 227.12, 294.288, 247.514], ['B', ' OH ', 227.123, 295.411, 246.731]]
[['B', ' N ', 225.972, 288.934, 252.459], ['B', ' CA ', 226.127, 287.688, 253.203], ['B', ' C ', 225.471, 286.556, 252.43], ['B', ' O ', 224.263, 286.59, 252.169], ['B', ' CB ', 225.538, 287.789, 254.614], ['B', ' CG1', 225.62, 286.445, 255.292], ['B', ' CG2', 226.279, 288.832, 255.414]]
[['B', ' N ', 226.262, 285.548, 252.079], ['B', ' CA ', 225.761, 284.313, 251.527], ['B', ' C ', 225.759, 283.21, 252.56], ['B', ' O ', 225.76, 283.456, 253.77]]
[['B', ' N ', 225.767, 281.972, 252.077], ['B', ' CA ', 225.832, 280.81, 252.96], ['B', ' C ', 226.496, 279.677, 252.194], ['B', ' O ', 225.93, 279.179, 251.219], ['B', ' CB ', 224.445, 280.405, 253.442], ['B', ' CG ', 223.948, 281.217, 254.609], ['B', ' CD1', 224.322, 280.904, 255.904], ['B', ' CD2', 223.103, 282.298, 254.415], ['B', ' CE1', 223.872, 281.645, 256.969], ['B', ' CE2', 222.654, 283.045, 255.471], ['B', ' CZ ', 223.04, 282.715, 256.746], ['B', ' OH ', 222.587, 283.463, 257.802]]
[['B', ' N ', 227.686, 279.274, 252.632], ['B', ' CA ', 228.407, 278.205, 251.955], ['B', ' C ', 227.606, 276.914, 252.023], ['B', ' O ', 226.997, 276.598, 253.047], ['B', ' CB ', 229.784, 278.005, 252.59], ['B', ' CG ', 230.738, 279.196, 252.752], ['B', ' CD1', 232.167, 278.715, 252.88], ['B', ' CD2', 230.624, 280.17, 251.6]]
[['B', ' N ', 227.609, 276.161, 250.927], ['B', ' CA ', 226.752, 274.994, 250.804], ['B', ' C ', 227.547, 273.819, 250.255], ['B', ' O ', 228.437, 274.013, 249.414], ['B', ' CB ', 225.562, 275.295, 249.882], ['B', ' CG ', 224.36, 274.402, 250.075], ['B', ' CD ', 223.073, 275.091, 249.698], ['B', ' NE2', 222.356, 274.523, 248.74], ['B', ' OE1', 222.727, 276.126, 250.26]]
[['B', ' N ', 227.256, 272.597, 250.704], ['B', ' CA ', 227.994, 271.436, 250.194], ['B', ' C ', 227.66, 271.122, 248.746], ['B', ' O ', 226.558, 270.659, 248.439], ['B', ' CB ', 227.556, 270.303, 251.13], ['B', ' CG ', 226.258, 270.755, 251.686], ['B', ' CD ', 226.369, 272.234, 251.819]]
[['B', ' N ', 228.61, 271.365, 247.848], ['B', ' CA ', 228.42, 271.118, 246.43], ['B', ' C ', 229.701, 270.539, 245.858], ['B', ' O ', 230.747, 270.532, 246.507], ['B', ' CB ', 228.036, 272.398, 245.684], ['B', ' CG ', 226.632, 272.893, 245.979], ['B', ' CD ', 225.604, 272.187, 245.121], ['B', ' NE ', 224.4, 272.991, 244.945], ['B', ' CZ ', 224.32, 274.055, 244.153], ['B', ' NH1', 225.374, 274.45, 243.454], ['B', ' NH2', 223.181, 274.723, 244.055]]
[['B', ' N ', 229.608, 270.046, 244.628], ['B', ' CA ', 230.748, 269.508, 243.899], ['B', ' C ', 230.996, 270.37, 242.67], ['B', ' O ', 230.068, 270.654, 241.909], ['B', ' CB ', 230.516, 268.041, 243.52], ['B', ' CG2', 229.237, 267.863, 242.731], ['B', ' OG1', 231.63, 267.553, 242.768]]
[['B', ' N ', 232.235, 270.809, 242.496], ['B', ' CA ', 232.574, 271.779, 241.47], ['B', ' C ', 233.492, 271.152, 240.434], ['B', ' O ', 233.794, 269.959, 240.471], ['B', ' CB ', 233.246, 273.011, 242.081], ['B', ' CG ', 232.287, 274.09, 242.475], ['B', ' CD1', 231.188, 273.803, 243.26], ['B', ' CD2', 232.492, 275.394, 242.081], ['B', ' CE1', 230.305, 274.791, 243.627], ['B', ' CE2', 231.611, 276.384, 242.452], ['B', ' CZ ', 230.519, 276.08, 243.228]]
[['B', ' N ', 233.92, 271.977, 239.487], ['B', ' CA ', 234.94, 271.615, 238.51], ['B', ' C ', 235.852, 272.818, 238.343], ['B', ' O ', 235.451, 273.823, 237.75], ['B', ' CB ', 234.321, 271.217, 237.176], ['B', ' CG ', 235.357, 270.798, 236.138], ['B', ' CD1', 236.063, 269.539, 236.583], ['B', ' CD2', 234.737, 270.619, 234.779]]
[['B', ' N ', 237.069, 272.724, 238.856], ['B', ' CA ', 237.986, 273.848, 238.843], ['B', ' C ', 238.983, 273.707, 237.703], ['B', ' O ', 239.362, 272.6, 237.319], ['B', ' CB ', 238.734, 273.976, 240.168], ['B', ' CG ', 237.996, 274.714, 241.279], ['B', ' CD1', 237.738, 276.139, 240.852], ['B', ' CD2', 236.707, 274.032, 241.663]]
[['B', ' N ', 239.394, 274.845, 237.162], ['B', ' CA ', 240.38, 274.912, 236.099], ['B', ' C ', 241.627, 275.607, 236.616], ['B', ' O ', 241.536, 276.561, 237.39], ['B', ' CB ', 239.835, 275.67, 234.892], ['B', ' CG ', 240.803, 275.77, 233.727], ['B', ' CD ', 240.167, 276.432, 232.526], ['B', ' CE ', 241.121, 276.464, 231.355], ['B', ' NZ ', 240.484, 277.087, 230.169]]
[['B', ' N ', 242.789, 275.13, 236.185], ['B', ' CA ', 244.066, 275.726, 236.541], ['B', ' C ', 244.802, 276.152, 235.28], ['B', ' O ', 244.858, 275.404, 234.302], ['B', ' CB ', 244.926, 274.746, 237.336], ['B', ' CG ', 244.454, 274.494, 238.744], ['B', ' CD1', 243.44, 273.595, 239.004], ['B', ' CD2', 245.037, 275.142, 239.814], ['B', ' CE1', 243.012, 273.36, 240.283], ['B', ' CE2', 244.617, 274.912, 241.097], ['B', ' CZ ', 243.602, 274.023, 241.325], ['B', ' OH ', 243.182, 273.793, 242.609]]
[['B', ' N ', 245.362, 277.356, 235.304], ['B', ' CA ', 246.174, 277.847, 234.2], ['B', ' C ', 247.584, 277.273, 234.327], ['B', ' O ', 247.827, 276.328, 235.079], ['B', ' CB ', 246.165, 279.37, 234.171], ['B', ' CG ', 246.987, 279.978, 235.28], ['B', ' ND2', 247.626, 281.099, 234.991], ['B', ' OD1', 247.047, 279.451, 236.386]]
[['B', ' N ', 248.538, 277.828, 233.579], ['B', ' CA ', 249.884, 277.262, 233.582], ['B', ' C ', 250.566, 277.44, 234.933], ['B', ' O ', 251.332, 276.571, 235.363], ['B', ' CB ', 250.729, 277.884, 232.469], ['B', ' CG ', 251.037, 279.361, 232.652], ['B', ' CD ', 251.854, 279.931, 231.513], ['B', ' OE1', 252.21, 279.162, 230.595], ['B', ' OE2', 252.137, 281.148, 231.534]]
[['B', ' N ', 250.307, 278.551, 235.618], ['B', ' CA ', 251.0, 278.86, 236.86], ['B', ' C ', 250.294, 278.317, 238.09], ['B', ' O ', 250.705, 278.629, 239.209], ['B', ' CB ', 251.179, 280.367, 237.019], ['B', ' CG ', 252.043, 280.972, 235.942], ['B', ' ND2', 251.87, 282.265, 235.726], ['B', ' OD1', 252.858, 280.297, 235.317]]
[['B', ' N ', 249.239, 277.531, 237.921], ['B', ' CA ', 248.559, 276.985, 239.073], ['B', ' C ', 247.567, 277.906, 239.736], ['B', ' O ', 247.305, 277.753, 240.931]]
[['B', ' N ', 247.007, 278.861, 239.002], ['B', ' CA ', 246.001, 279.773, 239.524], ['B', ' C ', 244.655, 279.46, 238.892], ['B', ' O ', 244.544, 279.397, 237.665], ['B', ' CB ', 246.381, 281.225, 239.25], ['B', ' CG2', 245.187, 282.132, 239.448], ['B', ' OG1', 247.431, 281.618, 240.141]]
[['B', ' N ', 243.642, 279.259, 239.734], ['B', ' CA ', 242.292, 279.025, 239.243], ['B', ' C ', 241.86, 280.187, 238.362], ['B', ' O ', 242.074, 281.358, 238.697], ['B', ' CB ', 241.338, 278.834, 240.432], ['B', ' CG1', 241.417, 277.408, 240.953], ['B', ' CG2', 239.922, 279.162, 240.047], ['B', ' CD1', 240.775, 277.238, 242.296]]
[['B', ' N ', 241.261, 279.869, 237.212], ['B', ' CA ', 240.79, 280.888, 236.286], ['B', ' C ', 239.307, 280.813, 235.966], ['B', ' O ', 238.725, 281.844, 235.614], ['B', ' CB ', 241.57, 280.824, 234.966], ['B', ' CG2', 243.039, 281.067, 235.208], ['B', ' OG1', 241.391, 279.537, 234.368]]
[['B', ' N ', 238.683, 279.642, 236.052], ['B', ' CA ', 237.242, 279.55, 235.879], ['B', ' C ', 236.761, 278.265, 236.527], ['B', ' O ', 237.522, 277.312, 236.689], ['B', ' CB ', 236.842, 279.597, 234.405], ['B', ' CG ', 235.401, 280.005, 234.213], ['B', ' OD1', 234.701, 280.182, 235.229], ['B', ' OD2', 234.968, 280.16, 233.053]]
[['B', ' N ', 235.482, 278.251, 236.892], ['B', ' CA ', 234.911, 277.137, 237.631], ['B', ' C ', 233.532, 276.811, 237.09], ['B', ' O ', 232.826, 277.682, 236.581], ['B', ' CB ', 234.812, 277.44, 239.125]]
[['B', ' N ', 233.149, 275.548, 237.22], ['B', ' CA ', 231.876, 275.051, 236.722], ['B', ' C ', 231.156, 274.347, 237.859], ['B', ' O ', 231.725, 273.462, 238.505], ['B', ' CB ', 232.071, 274.1, 235.53], ['B', ' CG1', 230.828, 273.285, 235.3], ['B', ' CG2', 232.419, 274.885, 234.292]]
[['B', ' N ', 229.911, 274.737, 238.099], ['B', ' CA ', 229.067, 274.077, 239.081], ['B', ' C ', 228.535, 272.797, 238.46], ['B', ' O ', 228.075, 272.81, 237.318], ['B', ' CB ', 227.919, 274.995, 239.494], ['B', ' CG ', 227.117, 274.451, 240.661], ['B', ' OD1', 226.928, 273.22, 240.758], ['B', ' OD2', 226.661, 275.266, 241.489]]
[['B', ' N ', 228.606, 271.688, 239.198], ['B', ' CA ', 228.134, 270.432, 238.625], ['B', ' C ', 226.615, 270.363, 238.611], ['B', ' O ', 226.029, 269.763, 237.706], ['B', ' CB ', 228.71, 269.236, 239.38], ['B', ' SG ', 230.483, 268.953, 239.132]]
[['B', ' N ', 225.959, 270.979, 239.589], ['B', ' CA ', 224.52, 270.835, 239.779], ['B', ' C ', 223.771, 272.149, 239.585], ['B', ' O ', 222.879, 272.489, 240.362], ['B', ' CB ', 224.217, 270.259, 241.157]]
[['B', ' N ', 224.119, 272.904, 238.548], ['B', ' CA ', 223.371, 274.112, 238.232], ['B', ' C ', 222.307, 273.856, 237.172], ['B', ' O ', 221.156, 274.268, 237.334], ['B', ' CB ', 224.321, 275.217, 237.771], ['B', ' CG ', 223.619, 276.476, 237.272], ['B', ' CD1', 222.891, 277.14, 238.408], ['B', ' CD2', 224.598, 277.437, 236.641]]
[['B', ' N ', 222.672, 273.181, 236.089], ['B', ' CA ', 221.745, 272.877, 235.008], ['B', ' C ', 222.308, 271.698, 234.225], ['B', ' O ', 223.466, 271.311, 234.426], ['B', ' CB ', 221.52, 274.102, 234.103], ['B', ' CG ', 222.808, 274.725, 233.632], ['B', ' OD1', 223.88, 274.308, 234.105], ['B', ' OD2', 222.753, 275.639, 232.786]]
[['B', ' N ', 221.508, 271.084, 233.348], ['B', ' CA ', 221.991, 269.885, 232.641], ['B', ' C ', 223.276, 270.082, 231.858], ['B', ' O ', 224.123, 269.177, 231.831], ['B', ' CB ', 220.82, 269.552, 231.717], ['B', ' CG ', 219.64, 270.022, 232.463], ['B', ' CD ', 220.058, 271.266, 233.172]]
[['B', ' N ', 223.449, 271.231, 231.209], ['B', ' CA ', 224.682, 271.473, 230.469], ['B', ' C ', 225.887, 271.419, 231.397], ['B', ' O ', 226.936, 270.863, 231.045], ['B', ' CB ', 224.606, 272.821, 229.764], ['B', ' CG ', 225.904, 273.367, 229.183], ['B', ' CD1', 226.535, 272.366, 228.236], ['B', ' CD2', 225.647, 274.679, 228.48]]
[['B', ' N ', 225.751, 271.986, 232.593], ['B', ' CA ', 226.821, 271.9, 233.573], ['B', ' C ', 227.018, 270.476, 234.069], ['B', ' O ', 228.149, 270.084, 234.356], ['B', ' CB ', 226.531, 272.838, 234.733], ['B', ' OG ', 226.525, 274.181, 234.291]]
[['B', ' N ', 225.944, 269.688, 234.177], ['B', ' CA ', 226.103, 268.262, 234.455], ['B', ' C ', 227.017, 267.608, 233.431], ['B', ' O ', 227.923, 266.844, 233.783], ['B', ' CB ', 224.745, 267.557, 234.456], ['B', ' CG ', 223.754, 267.917, 235.561], ['B', ' CD ', 224.206, 267.476, 236.945], ['B', ' OE1', 224.899, 266.443, 237.044], ['B', ' OE2', 223.829, 268.134, 237.937]]
[['B', ' N ', 226.785, 267.888, 232.149], ['B', ' CA ', 227.605, 267.274, 231.111], ['B', ' C ', 229.049, 267.746, 231.198], ['B', ' O ', 229.983, 266.937, 231.122], ['B', ' CB ', 227.031, 267.58, 229.735], ['B', ' CG2', 225.591, 267.173, 229.684], ['B', ' OG1', 227.124, 268.984, 229.486]]
[['B', ' N ', 229.255, 269.053, 231.353], ['B', ' CA ', 230.614, 269.561, 231.501], ['B', ' C ', 231.314, 268.878, 232.668], ['B', ' O ', 232.463, 268.443, 232.554], ['B', ' CB ', 230.6, 271.073, 231.715], ['B', ' CG ', 230.145, 271.906, 230.541], ['B', ' CD ', 229.84, 273.314, 231.018], ['B', ' CE ', 229.851, 274.314, 229.886], ['B', ' NZ ', 229.593, 275.686, 230.392]]
[['B', ' N ', 230.614, 268.755, 233.795], ['B', ' CA ', 231.2, 268.185, 234.999], ['B', ' C ', 231.54, 266.711, 234.813], ['B', ' O ', 232.56, 266.235, 235.321], ['B', ' CB ', 230.238, 268.388, 236.17], ['B', ' SG ', 230.611, 267.511, 237.702]]
[['B', ' N ', 230.701, 265.969, 234.091], ['B', ' CA ', 230.972, 264.549, 233.907], ['B', ' C ', 231.941, 264.262, 232.769], ['B', ' O ', 232.395, 263.121, 232.644], ['B', ' CB ', 229.678, 263.777, 233.658], ['B', ' CG2', 229.122, 264.105, 232.293], ['B', ' OG1', 229.952, 262.373, 233.707]]
[['B', ' N ', 232.26, 265.248, 231.933], ['B', ' CA ', 233.253, 265.046, 230.887], ['B', ' C ', 234.643, 265.532, 231.269], ['B', ' O ', 235.6, 265.231, 230.551], ['B', ' CB ', 232.825, 265.745, 229.594], ['B', ' CG ', 231.918, 264.96, 228.656], ['B', ' CD1', 231.634, 265.772, 227.417], ['B', ' CD2', 232.56, 263.641, 228.297]]
[['B', ' N ', 234.778, 266.258, 232.377], ['B', ' CA ', 236.034, 266.899, 232.756], ['B', ' C ', 236.557, 267.773, 231.62], ['B', ' O ', 237.711, 267.675, 231.201], ['B', ' CB ', 237.082, 265.872, 233.185], ['B', ' CG ', 236.568, 264.826, 234.151], ['B', ' CD ', 236.745, 265.259, 235.593], ['B', ' CE ', 236.57, 264.083, 236.539], ['B', ' NZ ', 235.334, 263.308, 236.242]]
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[['B', ' N ', 234.412, 272.423, 226.995], ['B', ' CA ', 233.719, 272.377, 225.72], ['B', ' C ', 233.077, 271.009, 225.559], ['B', ' O ', 233.713, 269.982, 225.813], ['B', ' CB ', 234.675, 272.635, 224.554], ['B', ' CG2', 234.989, 274.117, 224.436], ['B', ' OG1', 235.889, 271.904, 224.764]]
[['B', ' N ', 231.818, 270.996, 225.141], ['B', ' CA ', 231.091, 269.759, 224.898], ['B', ' C ', 230.657, 269.758, 223.444], ['B', ' O ', 229.85, 270.6, 223.031], ['B', ' CB ', 229.882, 269.609, 225.83], ['B', ' CG1', 228.961, 268.531, 225.321], ['B', ' CG2', 230.355, 269.28, 227.22]]
[['B', ' N ', 231.187, 268.818, 222.674], ['B', ' CA ', 230.951, 268.789, 221.244], ['B', ' C ', 229.511, 268.388, 220.949], ['B', ' O ', 228.728, 268.061, 221.842], ['B', ' CB ', 231.917, 267.819, 220.572], ['B', ' CG ', 233.356, 268.268, 220.638], ['B', ' CD ', 234.005, 267.913, 221.959], ['B', ' OE1', 233.339, 267.259, 222.791], ['B', ' OE2', 235.174, 268.296, 222.171]]
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[['B', ' N ', 224.85, 262.976, 225.504], ['B', ' CA ', 225.65, 262.425, 226.588], ['B', ' C ', 224.771, 262.011, 227.755], ['B', ' O ', 223.905, 262.772, 228.192], ['B', ' CB ', 226.679, 263.436, 227.082], ['B', ' CG ', 227.693, 263.84, 226.049], ['B', ' CD1', 227.461, 264.908, 225.207], ['B', ' CD2', 228.884, 263.153, 225.919], ['B', ' CE1', 228.384, 265.278, 224.267], ['B', ' CE2', 229.813, 263.518, 224.98], ['B', ' CZ ', 229.558, 264.582, 224.158], ['B', ' OH ', 230.483, 264.953, 223.215]]
[['B', ' N ', 225.012, 260.811, 228.27], ['B', ' CA ', 224.315, 260.314, 229.447], ['B', ' C ', 224.95, 260.95, 230.674], ['B', ' O ', 226.177, 260.966, 230.796], ['B', ' CB ', 224.396, 258.791, 229.512], ['B', ' CG ', 223.536, 258.155, 230.585], ['B', ' CD ', 224.211, 258.097, 231.928], ['B', ' NE2', 223.416, 258.135, 232.986], ['B', ' OE1', 225.432, 258.013, 232.019]]
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[['B', ' N ', 223.189, 261.316, 234.389], ['B', ' CA ', 222.904, 260.909, 235.761], ['B', ' C ', 221.681, 260.0, 235.757], ['B', ' O ', 221.262, 259.507, 234.706], ['B', ' CB ', 222.72, 262.144, 236.656], ['B', ' OG ', 221.387, 262.612, 236.597]]
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[['B', ' N ', 217.647, 259.09, 237.831], ['B', ' CA ', 216.419, 259.721, 238.284], ['B', ' C ', 215.501, 258.662, 238.866], ['B', ' O ', 215.484, 257.524, 238.393], ['B', ' CB ', 215.735, 260.459, 237.132], ['B', ' CG ', 214.467, 261.162, 237.517], ['B', ' CD1', 214.495, 262.343, 238.23], ['B', ' CD2', 213.243, 260.667, 237.104], ['B', ' CE1', 213.316, 262.99, 238.564], ['B', ' CE2', 212.073, 261.304, 237.426], ['B', ' CZ ', 212.103, 262.468, 238.156]]
[['B', ' N ', 214.762, 259.034, 239.908], ['B', ' CA ', 213.722, 258.172, 240.447], ['B', ' C ', 212.834, 258.987, 241.369], ['B', ' O ', 213.329, 259.782, 242.168], ['B', ' CB ', 214.294, 256.981, 241.214], ['B', ' CG ', 215.428, 257.317, 242.14], ['B', ' CD ', 216.368, 256.142, 242.245], ['B', ' NE ', 215.735, 255.04, 242.962], ['B', ' CZ ', 215.787, 254.88, 244.279], ['B', ' NH1', 215.183, 253.847, 244.847], ['B', ' NH2', 216.438, 255.759, 245.028]]
[['B', ' N ', 211.525, 258.767, 241.264], ['B', ' CA ', 210.576, 259.506, 242.08], ['B', ' C ', 210.784, 259.162, 243.546], ['B', ' O ', 210.915, 257.988, 243.917], ['B', ' CB ', 209.139, 259.197, 241.636], ['B', ' CG1', 208.145, 259.762, 242.625], ['B', ' CG2', 208.892, 259.76, 240.261]]
[['B', ' N ', 210.832, 260.186, 244.385], ['B', ' CA ', 210.955, 259.963, 245.814], ['B', ' C ', 209.591, 259.645, 246.423], ['B', ' O ', 208.559, 260.092, 245.918], ['B', ' CB ', 211.553, 261.189, 246.493], ['B', ' CG ', 212.966, 261.515, 246.043], ['B', ' CD ', 213.825, 260.282, 245.873], ['B', ' NE2', 214.456, 260.16, 244.714], ['B', ' OE1', 213.92, 259.447, 246.771]]
[['B', ' N ', 209.562, 258.878, 247.508], ['B', ' CA ', 208.289, 258.563, 248.161], ['B', ' C ', 207.663, 259.805, 248.775], ['B', ' O ', 208.281, 260.863, 248.889], ['B', ' CB ', 208.684, 257.549, 249.235], ['B', ' CG ', 210.126, 257.832, 249.496], ['B', ' CD ', 210.699, 258.224, 248.173]]
[['B', ' N ', 206.402, 259.664, 249.171], ['B', ' CA ', 205.65, 260.783, 249.721], ['B', ' C ', 205.14, 260.534, 251.132], ['B', ' O ', 205.279, 261.41, 251.993], ['B', ' CB ', 204.476, 261.124, 248.797], ['B', ' CG2', 203.964, 262.521, 249.093], ['B', ' OG1', 204.915, 261.063, 247.436]]
[['B', ' N ', 204.542, 259.374, 251.399], ['B', ' CA ', 203.905, 259.109, 252.68], ['B', ' C ', 204.315, 257.739, 253.2], ['B', ' O ', 204.725, 256.86, 252.44], ['B', ' CB ', 202.377, 259.191, 252.575], ['B', ' CG ', 201.845, 260.58, 252.259], ['B', ' CD ', 201.458, 260.742, 250.806], ['B', ' OE1', 201.565, 259.76, 250.047], ['B', ' OE2', 201.039, 261.851, 250.422]]
[['B', ' N ', 204.183, 257.565, 254.516], ['B', ' CA ', 204.659, 256.383, 255.227], ['B', ' C ', 203.479, 255.536, 255.682], ['B', ' O ', 202.642, 256.001, 256.461], ['B', ' CB ', 205.51, 256.784, 256.429], ['B', ' OG ', 205.775, 255.663, 257.248]]
[['B', ' N ', 203.435, 254.289, 255.224], ['B', ' CA ', 202.336, 253.374, 255.503], ['B', ' C ', 202.826, 252.348, 256.514], ['B', ' O ', 203.772, 251.6, 256.238], ['B', ' CB ', 201.839, 252.685, 254.225], ['B', ' CG1', 201.376, 253.716, 253.208], ['B', ' CG2', 200.695, 251.767, 254.536], ['B', ' CD1', 200.243, 254.554, 253.69]]
[['B', ' N ', 202.184, 252.308, 257.679], ['B', ' CA ', 202.514, 251.368, 258.747], ['B', ' C ', 201.254, 250.584, 259.082], ['B', ' O ', 200.238, 251.175, 259.469], ['B', ' CB ', 203.058, 252.088, 259.991], ['B', ' CG1', 202.988, 251.185, 261.199], ['B', ' CG2', 204.484, 252.551, 259.758]]
[['B', ' N ', 201.311, 249.262, 258.932], ['B', ' CA ', 200.168, 248.408, 259.222], ['B', ' C ', 200.587, 247.277, 260.149], ['B', ' O ', 201.486, 246.5, 259.818], ['B', ' CB ', 199.565, 247.838, 257.935], ['B', ' CG ', 199.239, 248.88, 256.883], ['B', ' CD ', 197.888, 249.52, 257.115], ['B', ' NE ', 196.827, 248.864, 256.358], ['B', ' CZ ', 195.566, 249.282, 256.328], ['B', ' NH1', 195.207, 250.36, 257.01], ['B', ' NH2', 194.664, 248.63, 255.612]]
[['B', ' N ', 199.92, 247.178, 261.29], ['B', ' CA ', 200.061, 246.106, 262.263], ['B', ' C ', 198.695, 245.502, 262.524], ['B', ' O ', 197.669, 246.131, 262.244], ['B', ' CB ', 200.648, 246.587, 263.599], ['B', ' CG ', 202.082, 246.995, 263.537], ['B', ' CD1', 202.873, 246.649, 262.462], ['B', ' CD2', 202.639, 247.728, 264.566], ['B', ' CE1', 204.193, 247.019, 262.416], ['B', ' CE2', 203.958, 248.108, 264.523], ['B', ' CZ ', 204.738, 247.754, 263.448]]
[['B', ' N ', 198.645, 244.281, 263.053], ['B', ' CA ', 197.367, 243.753, 263.535], ['B', ' C ', 196.808, 244.653, 264.624], ['B', ' O ', 197.548, 245.184, 265.455], ['B', ' CB ', 197.736, 242.367, 264.076], ['B', ' CG ', 199.2, 242.448, 264.356], ['B', ' CD ', 199.747, 243.332, 263.281]]
[['B', ' N ', 195.491, 244.829, 264.614], ['B', ' CA ', 194.847, 245.713, 265.574], ['B', ' C ', 194.514, 245.017, 266.886], ['B', ' O ', 193.918, 245.641, 267.769], ['B', ' CB ', 193.586, 246.336, 264.964], ['B', ' CG ', 192.61, 245.305, 264.446], ['B', ' ND2', 191.438, 245.773, 264.032], ['B', ' OD1', 192.899, 244.109, 264.414]]
[['B', ' N ', 194.887, 243.748, 267.034], ['B', ' CA ', 194.735, 243.068, 268.313], ['B', ' C ', 195.713, 243.659, 269.318], ['B', ' O ', 196.877, 243.932, 268.995], ['B', ' CB ', 194.944, 241.555, 268.147], ['B', ' CG1', 194.772, 240.842, 269.49], ['B', ' CG2', 196.306, 241.259, 267.534], ['B', ' CD1', 193.389, 240.979, 270.081]]
[['B', ' N ', 195.237, 243.883, 270.54], ['B', ' CA ', 196.07, 244.359, 271.635], ['B', ' C ', 195.941, 243.408, 272.818], ['B', ' O ', 194.832, 242.998, 273.178], ['B', ' CB ', 195.701, 245.794, 272.038], ['B', ' CG2', 194.247, 245.896, 272.489], ['B', ' OG1', 196.57, 246.239, 273.088]]
[['B', ' N ', 197.082, 243.037, 273.395], ['B', ' CA ', 197.14, 242.146, 274.545], ['B', ' C ', 198.557, 242.159, 275.091], ['B', ' O ', 199.52, 242.089, 274.325], ['B', ' CB ', 196.731, 240.716, 274.175], ['B', ' CG ', 196.35, 239.894, 275.385], ['B', ' ND2', 196.547, 238.586, 275.297], ['B', ' OD1', 195.879, 240.429, 276.387]]
[['B', ' N ', 198.675, 242.241, 276.411], ['B', ' CA ', 199.98, 242.329, 277.047], ['B', ' C ', 200.654, 240.961, 277.061], ['B', ' O ', 200.049, 239.962, 277.463], ['B', ' CB ', 199.836, 242.879, 278.467], ['B', ' CG ', 201.101, 243.264, 279.234], ['B', ' CD1', 200.863, 244.532, 280.031], ['B', ' CD2', 201.518, 242.14, 280.161]]
[['B', ' N ', 201.903, 240.92, 276.616], ['B', ' CA ', 202.666, 239.679, 276.647], ['B', ' C ', 203.05, 239.343, 278.084], ['B', ' O ', 203.603, 240.195, 278.787], ['B', ' CB ', 203.921, 239.801, 275.788], ['B', ' SG ', 203.625, 239.73, 274.017]]
[['B', ' N ', 202.797, 238.122, 278.548], ['B', ' CA ', 203.16, 237.775, 279.927], ['B', ' C ', 204.664, 237.689, 280.116], ['B', ' O ', 205.233, 236.595, 280.179], ['B', ' CB ', 202.484, 236.415, 280.137], ['B', ' CG ', 202.386, 235.831, 278.777], ['B', ' CD ', 202.194, 236.987, 277.829]]
[['B', ' N ', 205.318, 238.846, 280.193], ['B', ' CA ', 206.744, 238.895, 280.474], ['B', ' C ', 207.04, 239.064, 281.956], ['B', ' O ', 208.102, 238.626, 282.419], ['B', ' CB ', 207.395, 240.03, 279.681], ['B', ' CG ', 208.019, 239.581, 278.391], ['B', ' CD1', 207.24, 239.372, 277.266], ['B', ' CD2', 209.382, 239.363, 278.303], ['B', ' CE1', 207.81, 238.958, 276.08], ['B', ' CE2', 209.956, 238.947, 277.119], ['B', ' CZ ', 209.169, 238.745, 276.007]]
[['B', ' N ', 206.127, 239.68, 282.708], ['B', ' CA ', 206.287, 239.73, 284.15], ['B', ' C ', 206.257, 238.351, 284.78], ['B', ' O ', 206.997, 238.073, 285.726]]
[['B', ' N ', 205.413, 237.464, 284.254], ['B', ' CA ', 205.36, 236.093, 284.742], ['B', ' C ', 206.622, 235.31, 284.417], ['B', ' O ', 206.791, 234.198, 284.928], ['B', ' CB ', 204.136, 235.385, 284.164], ['B', ' CG ', 202.816, 235.893, 284.718], ['B', ' CD ', 202.363, 237.19, 284.074], ['B', ' OE1', 203.065, 237.688, 283.169], ['B', ' OE2', 201.302, 237.713, 284.475]]
[['B', ' N ', 207.501, 235.854, 283.58], ['B', ' CA ', 208.799, 235.25, 283.313], ['B', ' C ', 209.833, 235.87, 284.238], ['B', ' O ', 210.573, 235.16, 284.926], ['B', ' CB ', 209.207, 235.428, 281.841], ['B', ' CG1', 210.614, 234.905, 281.614], ['B', ' CG2', 208.218, 234.719, 280.935]]
[['B', ' N ', 209.889, 237.201, 284.263], ['B', ' CA ', 210.954, 237.875, 284.998], ['B', ' C ', 210.681, 237.96, 286.497], ['B', ' O ', 211.628, 237.992, 287.291], ['B', ' CB ', 211.189, 239.267, 284.409], ['B', ' CG ', 211.847, 239.243, 283.059], ['B', ' CD1', 213.223, 239.192, 282.948], ['B', ' CD2', 211.09, 239.247, 281.902], ['B', ' CE1', 213.83, 239.166, 281.711], ['B', ' CE2', 211.694, 239.217, 280.663], ['B', ' CZ ', 213.065, 239.176, 280.567]]
[['B', ' N ', 209.414, 237.995, 286.909], ['B', ' CA ', 209.054, 238.052, 288.32], ['B', ' C ', 208.6, 236.7, 288.861], ['B', ' O ', 207.729, 236.643, 289.734], ['B', ' CB ', 207.968, 239.102, 288.553], ['B', ' CG ', 208.489, 240.52, 288.437], ['B', ' ND2', 207.639, 241.426, 287.963], ['B', ' OD1', 209.64, 240.799, 288.771]]
[['B', ' N ', 209.167, 235.608, 288.357], ['B', ' CA ', 208.822, 234.286, 288.858], ['B', ' C ', 209.549, 234.002, 290.167], ['B', ' O ', 210.649, 234.504, 290.414], ['B', ' CB ', 209.16, 233.21, 287.827]]
[['B', ' N ', 208.916, 233.185, 291.012], ['B', ' CA ', 209.476, 232.917, 292.333], ['B', ' C ', 210.755, 232.087, 292.25], ['B', ' O ', 211.719, 232.356, 292.976], ['B', ' CB ', 208.43, 232.235, 293.219], ['B', ' CG2', 207.935, 230.933, 292.601], ['B', ' OG1', 208.985, 231.981, 294.517]]
[['B', ' N ', 210.794, 231.084, 291.374], ['B', ' CA ', 211.958, 230.218, 291.274], ['B', ' C ', 212.045, 229.648, 289.868], ['B', ' O ', 211.051, 229.595, 289.14], ['B', ' CB ', 211.908, 229.071, 292.289], ['B', ' CG ', 210.979, 227.939, 291.887], ['B', ' CD ', 211.084, 226.77, 292.843], ['B', ' NE ', 210.742, 227.16, 294.205], ['B', ' CZ ', 209.5, 227.223, 294.67], ['B', ' NH1', 208.481, 226.922, 293.879], ['B', ' NH2', 209.277, 227.588, 295.924]]
[['B', ' N ', 213.246, 229.216, 289.499], ['B', ' CA ', 213.52, 228.603, 288.211], ['B', ' C ', 213.999, 227.169, 288.423], ['B', ' O ', 214.067, 226.671, 289.553], ['B', ' CB ', 214.564, 229.416, 287.444], ['B', ' CG ', 214.132, 230.812, 287.102], ['B', ' CD1', 212.801, 231.177, 287.134], ['B', ' CD2', 215.069, 231.765, 286.753], ['B', ' CE1', 212.413, 232.463, 286.822], ['B', ' CE2', 214.686, 233.053, 286.438], ['B', ' CZ ', 213.356, 233.402, 286.474]]
[['B', ' N ', 214.329, 226.501, 287.324], ['B', ' CA ', 215.114, 225.279, 287.371], ['B', ' C ', 216.595, 225.642, 287.372], ['B', ' O ', 216.971, 226.796, 287.161], ['B', ' CB ', 214.773, 224.373, 286.193]]
[['B', ' N ', 217.45, 224.656, 287.634], ['B', ' CA ', 218.837, 225.034, 287.866], ['B', ' C ', 219.624, 225.197, 286.57], ['B', ' O ', 219.864, 226.324, 286.127], ['B', ' CB ', 219.498, 223.98, 288.75], ['B', ' OG ', 218.719, 223.774, 289.912]]
[['B', ' N ', 220.017, 224.091, 285.941], ['B', ' CA ', 220.457, 224.111, 284.551], ['B', ' C ', 219.984, 222.832, 283.878], ['B', ' O ', 219.921, 222.743, 282.647], ['B', ' CB ', 221.984, 224.268, 284.445], ['B', ' CG1', 222.68, 223.01, 284.924], ['B', ' CG2', 222.392, 224.615, 283.021]]
[['B', ' N ', 219.637, 221.838, 284.692], ['B', ' CA ', 219.406, 220.492, 284.191], ['B', ' C ', 217.953, 220.243, 283.83], ['B', ' O ', 217.672, 219.383, 282.988], ['B', ' CB ', 219.88, 219.465, 285.222], ['B', ' CG ', 218.84, 219.078, 286.241], ['B', ' CD1', 218.465, 219.96, 287.245], ['B', ' CD2', 218.249, 217.823, 286.217], ['B', ' CE1', 217.517, 219.609, 288.186], ['B', ' CE2', 217.301, 217.462, 287.155], ['B', ' CZ ', 216.939, 218.358, 288.137], ['B', ' OH ', 215.996, 218.005, 289.075]]
[['B', ' N ', 217.024, 220.97, 284.445], ['B', ' CA ', 215.629, 220.904, 284.031], ['B', ' C ', 215.302, 221.997, 283.021], ['B', ' O ', 214.673, 221.725, 281.995], ['B', ' CB ', 214.711, 220.999, 285.252]]
[['B', ' N ', 215.718, 223.228, 283.309], ['B', ' CA ', 215.628, 224.371, 282.397], ['B', ' C ', 214.265, 224.425, 281.695], ['B', ' O ', 214.137, 224.301, 280.478], ['B', ' CB ', 216.813, 224.375, 281.418], ['B', ' CG ', 216.712, 223.512, 280.185], ['B', ' CD1', 216.838, 222.157, 280.111], ['B', ' CD2', 216.507, 223.969, 278.843], ['B', ' CE2', 216.494, 222.834, 278.013], ['B', ' CE3', 216.316, 225.227, 278.267], ['B', ' NE1', 216.699, 221.74, 278.811], ['B', ' CZ2', 216.305, 222.92, 276.64], ['B', ' CZ3', 216.131, 225.31, 276.908], ['B', ' CH2', 216.126, 224.165, 276.107]]
[['B', ' N ', 213.228, 224.608, 282.511], ['B', ' CA ', 211.87, 224.665, 281.993], ['B', ' C ', 211.76, 225.724, 280.905], ['B', ' O ', 212.257, 226.845, 281.045], ['B', ' CB ', 210.88, 224.968, 283.119], ['B', ' CG ', 209.483, 225.253, 282.604], ['B', ' ND2', 209.156, 226.531, 282.455], ['B', ' OD1', 208.707, 224.335, 282.342]]
[['B', ' N ', 211.111, 225.354, 279.807], ['B', ' CA ', 210.994, 226.207, 278.635], ['B', ' C ', 209.578, 226.756, 278.564], ['B', ' O ', 208.608, 225.996, 278.643], ['B', ' CB ', 211.347, 225.433, 277.361], ['B', ' CG ', 210.626, 225.895, 276.109], ['B', ' CD ', 211.158, 227.229, 275.607], ['B', ' NE ', 212.53, 227.144, 275.116], ['B', ' CZ ', 212.885, 226.564, 273.977], ['B', ' NH1', 211.972, 225.996, 273.204], ['B', ' NH2', 214.157, 226.546, 273.611]]
[['B', ' N ', 209.467, 228.071, 278.416], ['B', ' CA ', 208.189, 228.763, 278.408], ['B', ' C ', 207.85, 229.185, 276.986], ['B', ' O ', 208.744, 229.45, 276.177], ['B', ' CB ', 208.232, 229.981, 279.335], ['B', ' CG ', 207.003, 230.864, 279.291], ['B', ' CD ', 205.795, 230.145, 279.859], ['B', ' CE ', 204.578, 231.053, 279.879], ['B', ' NZ ', 203.636, 230.684, 280.97]]
[['B', ' N ', 206.557, 229.229, 276.681], ['B', ' CA ', 206.062, 229.6, 275.365], ['B', ' C ', 205.247, 230.884, 275.456], ['B', ' O ', 204.462, 231.063, 276.393], ['B', ' CB ', 205.202, 228.48, 274.783], ['B', ' CG ', 205.032, 228.551, 273.287], ['B', ' CD ', 206.374, 228.481, 272.599], ['B', ' NE ', 206.284, 227.875, 271.274], ['B', ' CZ ', 205.776, 228.48, 270.207], ['B', ' NH1', 205.304, 229.716, 270.298], ['B', ' NH2', 205.745, 227.848, 269.043]]
[['B', ' N ', 205.44, 231.779, 274.487], ['B', ' CA ', 204.618, 232.976, 274.358], ['B', ' C ', 204.155, 233.091, 272.916], ['B', ' O ', 204.843, 232.656, 271.988], ['B', ' CB ', 205.358, 234.264, 274.769], ['B', ' CG1', 206.559, 234.502, 273.859], ['B', ' CG2', 205.786, 234.194, 276.223], ['B', ' CD1', 207.183, 235.852, 274.051]]
[['B', ' N ', 202.981, 233.69, 272.731], ['B', ' CA ', 202.448, 233.92, 271.395], ['B', ' C ', 201.28, 234.89, 271.482], ['B', ' O ', 200.668, 235.06, 272.54], ['B', ' CB ', 202.005, 232.614, 270.724], ['B', ' OG ', 203.112, 231.772, 270.449]]
[['B', ' N ', 200.997, 235.534, 270.348], ['B', ' CA ', 199.778, 236.313, 270.132], ['B', ' C ', 199.62, 237.433, 271.163], ['B', ' O ', 198.671, 237.466, 271.949], ['B', ' CB ', 198.553, 235.395, 270.121], ['B', ' CG ', 198.601, 234.385, 268.997], ['B', ' ND2', 197.91, 234.682, 267.903], ['B', ' OD1', 199.258, 233.353, 269.106]]
[['B', ' N ', 200.57, 238.363, 271.135], ['B', ' CA ', 200.503, 239.564, 271.958], ['B', ' C ', 201.567, 240.539, 271.481], ['B', ' O ', 202.569, 240.143, 270.881], ['B', ' CB ', 200.696, 239.249, 273.446], ['B', ' SG ', 202.189, 238.311, 273.818]]
[['B', ' N ', 201.341, 241.812, 271.761], ['B', ' CA ', 202.331, 242.848, 271.504], ['B', ' C ', 203.231, 242.968, 272.722], ['B', ' O ', 202.766, 242.907, 273.866], ['B', ' CB ', 201.654, 244.189, 271.167], ['B', ' CG1', 200.952, 244.1, 269.828], ['B', ' CG2', 200.665, 244.569, 272.251]]
[['B', ' N ', 204.529, 243.123, 272.482], ['B', ' CA ', 205.525, 243.155, 273.541], ['B', ' C ', 206.262, 244.483, 273.504], ['B', ' O ', 206.659, 244.945, 272.431], ['B', ' CB ', 206.516, 241.999, 273.4]]
[['B', ' N ', 206.449, 245.085, 274.673], ['B', ' CA ', 207.16, 246.352, 274.807], ['B', ' C ', 208.487, 246.076, 275.506], ['B', ' O ', 208.56, 246.02, 276.734], ['B', ' CB ', 206.332, 247.376, 275.573], ['B', ' CG ', 206.867, 248.784, 275.417], ['B', ' OD1', 207.857, 248.961, 274.677], ['B', ' OD2', 206.305, 249.711, 276.035]]
[['B', ' N ', 209.541, 245.909, 274.712], ['B', ' CA ', 210.871, 245.73, 275.272], ['B', ' C ', 211.452, 247.024, 275.82], ['B', ' O ', 212.511, 246.983, 276.458], ['B', ' CB ', 211.812, 245.157, 274.215], ['B', ' CG ', 211.295, 243.908, 273.552], ['B', ' CD1', 210.989, 242.783, 274.298], ['B', ' CD2', 211.118, 243.852, 272.181], ['B', ' CE1', 210.518, 241.638, 273.697], ['B', ' CE2', 210.648, 242.712, 271.572], ['B', ' CZ ', 210.35, 241.608, 272.334], ['B', ' OH ', 209.879, 240.467, 271.732]]
[['B', ' N ', 210.793, 248.162, 275.579], ['B', ' CA ', 211.342, 249.445, 276.005], ['B', ' C ', 211.519, 249.497, 277.514], ['B', ' O ', 212.542, 249.983, 278.009], ['B', ' CB ', 210.444, 250.586, 275.529], ['B', ' OG ', 210.947, 251.841, 275.955]]
[['B', ' N ', 210.536, 248.998, 278.265], ['B', ' CA ', 210.677, 248.964, 279.715], ['B', ' C ', 211.772, 247.986, 280.125], ['B', ' O ', 212.437, 248.183, 281.149], ['B', ' CB ', 209.324, 248.632, 280.373], ['B', ' CG1', 208.856, 247.24, 279.984], ['B', ' CG2', 209.414, 248.772, 281.883]]
[['B', ' N ', 211.996, 246.934, 279.335], ['B', ' CA ', 212.982, 245.928, 279.716], ['B', ' C ', 214.406, 246.439, 279.526], ['B', ' O ', 215.269, 246.219, 280.383], ['B', ' CB ', 212.756, 244.637, 278.93], ['B', ' CG ', 211.982, 243.546, 279.682], ['B', ' CD1', 210.668, 244.074, 280.232], ['B', ' CD2', 211.738, 242.329, 278.8]]
[['B', ' N ', 214.679, 247.125, 278.416], ['B', ' CA ', 216.046, 247.592, 278.208], ['B', ' C ', 216.325, 248.949, 278.842], ['B', ' O ', 217.487, 249.369, 278.869], ['B', ' CB ', 216.399, 247.639, 276.714], ['B', ' CG ', 215.591, 248.588, 275.847], ['B', ' CD1', 215.692, 249.968, 275.99], ['B', ' CD2', 214.767, 248.098, 274.843], ['B', ' CE1', 214.964, 250.826, 275.187], ['B', ' CE2', 214.041, 248.946, 274.033], ['B', ' CZ ', 214.142, 250.308, 274.208], ['B', ' OH ', 213.415, 251.152, 273.4]]
[['B', ' N ', 215.306, 249.644, 279.342], ['B', ' CA ', 215.498, 250.916, 280.024], ['B', ' C ', 215.593, 250.76, 281.536], ['B', ' O ', 215.705, 251.763, 282.247], ['B', ' CB ', 214.373, 251.888, 279.666], ['B', ' CG ', 214.465, 252.38, 278.235], ['B', ' ND2', 213.321, 252.475, 277.567], ['B', ' OD1', 215.552, 252.67, 277.735]]
[['B', ' N ', 215.547, 249.53, 282.039], ['B', ' CA ', 215.739, 249.242, 283.454], ['B', ' C ', 217.137, 248.669, 283.637], ['B', ' O ', 217.455, 247.611, 283.082], ['B', ' CB ', 214.679, 248.268, 283.966], ['B', ' OG ', 213.379, 248.808, 283.801]]
[['B', ' N ', 217.965, 249.362, 284.419], ['B', ' CA ', 219.378, 249.035, 284.554], ['B', ' C ', 219.646, 248.048, 285.684], ['B', ' O ', 220.755, 248.011, 286.227], ['B', ' CB ', 220.197, 250.309, 284.757]]
[['B', ' N ', 218.654, 247.242, 286.048], ['B', ' CA ', 218.838, 246.212, 287.059], ['B', ' C ', 219.389, 244.916, 286.482], ['B', ' O ', 219.627, 243.97, 287.238], ['B', ' CB ', 217.514, 245.938, 287.779], ['B', ' OG ', 216.456, 245.774, 286.854]]
[['B', ' N ', 219.598, 244.853, 285.171], ['B', ' CA ', 220.137, 243.673, 284.51], ['B', ' C ', 221.632, 243.863, 284.294], ['B', ' O ', 222.067, 244.922, 283.831], ['B', ' CB ', 219.428, 243.425, 283.177], ['B', ' CG ', 217.97, 243.076, 283.318], ['B', ' CD1', 217.509, 242.398, 284.432], ['B', ' CD2', 217.062, 243.427, 282.337], ['B', ' CE1', 216.171, 242.08, 284.561], ['B', ' CE2', 215.726, 243.108, 282.464], ['B', ' CZ ', 215.281, 242.434, 283.575]]
[['B', ' N ', 222.415, 242.84, 284.635], ['B', ' CA ', 223.866, 242.955, 284.629], ['B', ' C ', 224.516, 242.517, 283.324], ['B', ' O ', 225.729, 242.689, 283.173], ['B', ' CB ', 224.463, 242.141, 285.78], ['B', ' OG ', 225.878, 242.179, 285.743]]
[['B', ' N ', 223.758, 241.956, 282.383], ['B', ' CA ', 224.338, 241.535, 281.108], ['B', ' C ', 223.226, 241.474, 280.07], ['B', ' O ', 222.354, 240.605, 280.153], ['B', ' CB ', 225.037, 240.186, 281.243], ['B', ' CG2', 225.586, 239.733, 279.898], ['B', ' OG1', 226.12, 240.296, 282.175]]
[['B', ' N ', 223.265, 242.385, 279.098], ['B', ' CA ', 222.28, 242.453, 278.019], ['B', ' C ', 223.048, 242.65, 276.716], ['B', ' O ', 223.209, 243.778, 276.245], ['B', ' CB ', 221.293, 243.582, 278.279], ['B', ' CG ', 220.001, 243.461, 277.526], ['B', ' CD1', 219.956, 243.654, 276.16], ['B', ' CD2', 218.825, 243.182, 278.195], ['B', ' CE1', 218.764, 243.562, 275.477], ['B', ' CE2', 217.632, 243.086, 277.512], ['B', ' CZ ', 217.603, 243.274, 276.152]]
[['B', ' N ', 223.503, 241.547, 276.126], ['B', ' CA ', 224.289, 241.559, 274.895], ['B', ' C ', 223.561, 240.696, 273.876], ['B', ' O ', 223.471, 239.475, 274.047], ['B', ' CB ', 225.704, 241.039, 275.14], ['B', ' CG ', 226.536, 241.893, 276.082], ['B', ' CD ', 226.889, 243.236, 275.466], ['B', ' CE ', 227.993, 243.087, 274.43], ['B', ' NZ ', 228.361, 244.391, 273.814]]
[['B', ' N ', 223.048, 241.318, 272.821], ['B', ' CA ', 222.206, 240.624, 271.862], ['B', ' C ', 222.97, 240.337, 270.581], ['B', ' O ', 223.695, 241.194, 270.071], ['B', ' CB ', 220.934, 241.416, 271.549], ['B', ' SG ', 219.771, 241.614, 272.941]]
[['B', ' N ', 222.798, 239.126, 270.066], ['B', ' CA ', 223.462, 238.686, 268.85], ['B', ' C ', 222.5, 238.827, 267.681], ['B', ' O ', 221.395, 238.276, 267.711], ['B', ' CB ', 223.938, 237.24, 268.989], ['B', ' CG ', 224.897, 237.041, 270.137], ['B', ' CD1', 226.133, 237.669, 270.148], ['B', ' CD2', 224.552, 236.256, 271.229], ['B', ' CE1', 227.01, 237.499, 271.2], ['B', ' CE2', 225.421, 236.084, 272.287], ['B', ' CZ ', 226.649, 236.707, 272.266], ['B', ' OH ', 227.523, 236.544, 273.313]]
[['B', ' N ', 222.913, 239.583, 266.669], ['B', ' CA ', 222.138, 239.723, 265.458], ['B', ' C ', 220.981, 240.692, 265.526], ['B', ' O ', 220.393, 240.993, 264.486]]
[['B', ' N ', 220.647, 241.22, 266.696], ['B', ' CA ', 219.515, 242.125, 266.834], ['B', ' C ', 219.947, 243.337, 267.645], ['B', ' O ', 220.73, 243.228, 268.592], ['B', ' CB ', 218.313, 241.416, 267.488], ['B', ' CG1', 217.222, 242.402, 267.811], ['B', ' CG2', 217.78, 240.344, 266.558]]
[['B', ' N ', 219.436, 244.503, 267.259], ['B', ' CA ', 219.725, 245.736, 267.98], ['B', ' C ', 218.7, 245.945, 269.083], ['B', ' O ', 217.506, 246.082, 268.783], ['B', ' CB ', 219.712, 246.921, 267.04], ['B', ' OG ', 220.74, 246.796, 266.081]]
[['B', ' N ', 219.109, 245.998, 270.352], ['B', ' CA ', 218.126, 246.202, 271.428], ['B', ' C ', 217.337, 247.491, 271.293], ['B', ' O ', 216.241, 247.596, 271.857], ['B', ' CB ', 218.991, 246.194, 272.697], ['B', ' CG ', 220.4, 246.375, 272.222], ['B', ' CD ', 220.456, 245.741, 270.88]]
[['B', ' N ', 217.861, 248.482, 270.572], ['B', ' CA ', 217.085, 249.686, 270.301], ['B', ' C ', 215.975, 249.41, 269.291], ['B', ' O ', 214.833, 249.846, 269.472], ['B', ' CB ', 218.003, 250.8, 269.796], ['B', ' CG2', 218.773, 251.426, 270.951], ['B', ' OG1', 218.93, 250.262, 268.845]]
[['B', ' N ', 216.294, 248.685, 268.217], ['B', ' CA ', 215.323, 248.399, 267.167], ['B', ' C ', 214.32, 247.325, 267.56], ['B', ' O ', 213.385, 247.072, 266.794], ['B', ' CB ', 216.042, 247.966, 265.89], ['B', ' CG ', 217.173, 248.88, 265.459], ['B', ' CD ', 216.734, 249.827, 264.366], ['B', ' CE ', 217.868, 250.747, 263.953], ['B', ' NZ ', 219.054, 249.991, 263.48]]
[['B', ' N ', 214.497, 246.683, 268.718], ['B', ' CA ', 213.605, 245.597, 269.117], ['B', ' C ', 212.166, 246.064, 269.259], ['B', ' O ', 211.24, 245.254, 269.157], ['B', ' CB ', 214.077, 244.983, 270.432], ['B', ' CG ', 214.833, 243.671, 270.292], ['B', ' CD1', 215.12, 243.081, 271.657], ['B', ' CD2', 214.023, 242.719, 269.446]]
[['B', ' N ', 211.952, 247.355, 269.496], ['B', ' CA ', 210.592, 247.857, 269.606], ['B', ' C ', 209.855, 247.801, 268.278], ['B', ' O ', 208.637, 247.993, 268.252], ['B', ' CB ', 210.605, 249.292, 270.127], ['B', ' CG ', 211.17, 249.4, 271.529], ['B', ' ND2', 210.466, 248.827, 272.498], ['B', ' OD1', 212.22, 250.003, 271.74]]
[['B', ' N ', 210.563, 247.547, 267.178], ['B', ' CA ', 210.001, 247.666, 265.838], ['B', ' C ', 209.672, 246.322, 265.202], ['B', ' O ', 208.582, 246.15, 264.651], ['B', ' CB ', 210.97, 248.431, 264.931], ['B', ' CG ', 210.8, 249.927, 265.032], ['B', ' OD1', 210.223, 250.394, 266.033], ['B', ' OD2', 211.235, 250.635, 264.104]]
[['B', ' N ', 210.598, 245.37, 265.257], ['B', ' CA ', 210.445, 244.131, 264.51], ['B', ' C ', 209.309, 243.281, 265.06], ['B', ' O ', 209.135, 243.156, 266.274], ['B', ' CB ', 211.74, 243.332, 264.546], ['B', ' CG ', 212.954, 243.973, 263.888], ['B', ' CD1', 213.959, 242.889, 263.584], ['B', ' CD2', 212.564, 244.729, 262.629]]
[['B', ' N ', 208.544, 242.685, 264.15], ['B', ' CA ', 207.5, 241.733, 264.495], ['B', ' C ', 208.01, 240.328, 264.206], ['B', ' O ', 208.562, 240.074, 263.131], ['B', ' CB ', 206.218, 242.015, 263.715], ['B', ' SG ', 204.776, 241.133, 264.342]]
[['B', ' N ', 207.819, 239.423, 265.164], ['B', ' CA ', 208.507, 238.14, 265.202], ['B', ' C ', 207.537, 236.993, 264.972], ['B', ' O ', 206.388, 237.04, 265.42], ['B', ' CB ', 209.2, 237.952, 266.547], ['B', ' CG ', 210.396, 238.819, 266.73], ['B', ' CD1', 211.502, 238.669, 265.922], ['B', ' CD2', 210.404, 239.803, 267.7], ['B', ' CE1', 212.603, 239.476, 266.087], ['B', ' CE2', 211.498, 240.613, 267.869], ['B', ' CZ ', 212.6, 240.451, 267.063]]
[['B', ' N ', 208.01, 235.956, 264.281], ['B', ' CA ', 207.162, 234.797, 264.023], ['B', ' C ', 206.945, 233.983, 265.292], ['B', ' O ', 205.805, 233.775, 265.723], ['B', ' CB ', 207.775, 233.925, 262.928], ['B', ' CG2', 206.752, 232.917, 262.422], ['B', ' OG1', 208.196, 234.75, 261.837]]
[['B', ' N ', 208.03, 233.514, 265.903], ['B', ' CA ', 207.962, 232.749, 267.139], ['B', ' C ', 208.983, 233.305, 268.112], ['B', ' O ', 210.129, 233.562, 267.735], ['B', ' CB ', 208.248, 231.27, 266.9], ['B', ' CG ', 207.606, 230.758, 265.644], ['B', ' ND2', 206.283, 230.816, 265.595], ['B', ' OD1', 208.288, 230.327, 264.715]]
[['B', ' N ', 208.573, 233.488, 269.361], ['B', ' CA ', 209.466, 233.968, 270.406], ['B', ' C ', 209.463, 232.958, 271.541], ['B', ' O ', 208.397, 232.566, 272.027], ['B', ' CB ', 209.056, 235.358, 270.919], ['B', ' CG1', 210.112, 235.899, 271.862], ['B', ' CG2', 208.848, 236.298, 269.761]]
[['B', ' N ', 210.648, 232.542, 271.963], ['B', ' CA ', 210.8, 231.594, 273.052], ['B', ' C ', 211.337, 232.308, 274.283], ['B', ' O ', 212.094, 233.275, 274.17], ['B', ' CB ', 211.742, 230.458, 272.662], ['B', ' CG ', 211.128, 229.433, 271.744], ['B', ' CD1', 209.77, 229.441, 271.47], ['B', ' CD2', 211.908, 228.457, 271.146], ['B', ' CE1', 209.21, 228.504, 270.629], ['B', ' CE2', 211.351, 227.514, 270.307], ['B', ' CZ ', 210.001, 227.544, 270.053], ['B', ' OH ', 209.44, 226.612, 269.217]]
[['B', ' N ', 210.938, 231.829, 275.455], ['B', ' CA ', 211.471, 232.303, 276.721], ['B', ' C ', 212.043, 231.123, 277.491], ['B', ' O ', 211.466, 230.032, 277.49], ['B', ' CB ', 210.395, 233.003, 277.549]]
[['B', ' N ', 213.18, 231.34, 278.142], ['B', ' CA ', 213.865, 230.298, 278.887], ['B', ' C ', 214.118, 230.777, 280.307], ['B', ' O ', 214.133, 231.98, 280.579], ['B', ' CB ', 215.184, 229.92, 278.218], ['B', ' CG ', 215.011, 229.58, 276.757], ['B', ' OD1', 213.91, 229.132, 276.383], ['B', ' OD2', 215.965, 229.762, 275.976]]
[['B', ' N ', 214.32, 229.827, 281.216], ['B', ' CA ', 214.483, 230.165, 282.626], ['B', ' C ', 215.355, 229.122, 283.305], ['B', ' O ', 215.026, 227.932, 283.281], ['B', ' CB ', 213.119, 230.262, 283.314], ['B', ' OG ', 212.499, 228.991, 283.395]]
[['B', ' N ', 216.459, 229.568, 283.903], ['B', ' CA ', 217.301, 228.696, 284.711], ['B', ' C ', 218.171, 229.55, 285.621], ['B', ' O ', 218.338, 230.753, 285.402], ['B', ' CB ', 218.17, 227.777, 283.85], ['B', ' CG ', 218.871, 228.478, 282.734], ['B', ' CD1', 220.023, 229.2, 282.968], ['B', ' CD2', 218.388, 228.398, 281.445], ['B', ' CE1', 220.673, 229.84, 281.94], ['B', ' CE2', 219.035, 229.033, 280.411], ['B', ' CZ ', 220.179, 229.755, 280.659]]
[['B', ' N ', 218.731, 228.907, 286.643], ['B', ' CA ', 219.575, 229.568, 287.632], ['B', ' C ', 220.895, 228.812, 287.702], ['B', ' O ', 220.936, 227.673, 288.184], ['B', ' CB ', 218.912, 229.623, 289.013], ['B', ' CG1', 219.873, 230.197, 290.039], ['B', ' CG2', 217.639, 230.44, 288.954]]
[['B', ' N ', 221.975, 229.447, 287.25], ['B', ' CA ', 223.3, 228.846, 287.259], ['B', ' C ', 224.258, 229.784, 287.982], ['B', ' O ', 223.908, 230.902, 288.359], ['B', ' CB ', 223.82, 228.541, 285.842], ['B', ' CG1', 224.138, 229.84, 285.105], ['B', ' CG2', 222.809, 227.726, 285.068], ['B', ' CD1', 224.969, 229.642, 283.861]]
[['B', ' N ', 225.484, 229.3, 288.177], ['B', ' CA ', 226.517, 230.111, 288.804], ['B', ' C ', 226.861, 231.307, 287.925], ['B', ' O ', 227.028, 231.182, 286.709], ['B', ' CB ', 227.763, 229.263, 289.073], ['B', ' CG ', 228.334, 228.579, 287.841], ['B', ' CD ', 229.438, 227.601, 288.208], ['B', ' NE ', 230.681, 228.278, 288.564], ['B', ' CZ ', 231.768, 227.659, 289.015], ['B', ' NH1', 231.768, 226.342, 289.165], ['B', ' NH2', 232.856, 228.355, 289.314]]
[['B', ' N ', 226.966, 232.475, 288.552], ['B', ' CA ', 227.168, 233.727, 287.854], ['B', ' C ', 228.599, 234.064, 287.504], ['B', ' O ', 228.845, 235.145, 286.955]]
[['B', ' N ', 229.551, 233.189, 287.805], ['B', ' CA ', 230.939, 233.402, 287.431], ['B', ' C ', 231.243, 232.918, 286.023], ['B', ' O ', 232.376, 233.077, 285.557], ['B', ' CB ', 231.866, 232.698, 288.424], ['B', ' CG ', 231.724, 231.192, 288.381], ['B', ' OD1', 230.674, 230.68, 288.822], ['B', ' OD2', 232.662, 230.517, 287.907]]
[['B', ' N ', 230.265, 232.332, 285.338], ['B', ' CA ', 230.461, 231.811, 283.993], ['B', ' C ', 229.303, 232.226, 283.096], ['B', ' O ', 228.76, 231.42, 282.333], ['B', ' CB ', 230.625, 230.292, 284.012], ['B', ' CG ', 231.52, 229.75, 282.911], ['B', ' CD ', 232.973, 230.148, 283.092], ['B', ' OE1', 233.382, 230.411, 284.243], ['B', ' OE2', 233.707, 230.195, 282.083]]
[['B', ' N ', 228.906, 233.498, 283.187], ['B', ' CA ', 227.868, 234.033, 282.311], ['B', ' C ', 228.285, 233.917, 280.854], ['B', ' O ', 227.458, 233.621, 279.982], ['B', ' CB ', 227.554, 235.492, 282.696], ['B', ' CG1', 226.604, 236.122, 281.698], ['B', ' CG2', 226.958, 235.55, 284.089]]
[['B', ' N ', 229.572, 234.124, 280.57], ['B', ' CA ', 230.075, 234.058, 279.203], ['B', ' C ', 229.836, 232.697, 278.562], ['B', ' O ', 229.791, 232.603, 277.331], ['B', ' CB ', 231.568, 234.397, 279.201], ['B', ' CG ', 232.277, 234.216, 277.872], ['B', ' CD ', 233.786, 234.251, 278.051], ['B', ' NE ', 234.213, 233.565, 279.269], ['B', ' CZ ', 234.199, 232.246, 279.437], ['B', ' NH1', 233.783, 231.45, 278.461], ['B', ' NH2', 234.607, 231.721, 280.583]]
[['B', ' N ', 229.643, 231.648, 279.365], ['B', ' CA ', 229.49, 230.303, 278.825], ['B', ' C ', 228.223, 230.131, 277.992], ['B', ' O ', 228.108, 229.129, 277.279], ['B', ' CB ', 229.515, 229.281, 279.964], ['B', ' CG ', 230.003, 227.901, 279.545], ['B', ' CD ', 230.144, 226.949, 280.715], ['B', ' NE2', 230.676, 225.762, 280.451], ['B', ' OE1', 229.774, 227.273, 281.842]]
[['B', ' N ', 227.281, 231.065, 278.055], ['B', ' CA ', 226.102, 231.042, 277.192], ['B', ' C ', 226.415, 231.954, 276.011], ['B', ' O ', 226.134, 233.153, 276.025], ['B', ' CB ', 224.84, 231.473, 277.932], ['B', ' CG1', 224.77, 230.799, 279.302], ['B', ' CG2', 223.61, 231.142, 277.104], ['B', ' CD1', 223.448, 230.997, 280.007]]
[['B', ' N ', 227.003, 231.378, 274.973], ['B', ' CA ', 227.374, 232.091, 273.763], ['B', ' C ', 227.072, 231.2, 272.571], ['B', ' O ', 227.019, 229.973, 272.707], ['B', ' CB ', 228.857, 232.484, 273.776]]
[['B', ' N ', 226.872, 231.784, 271.385], ['B', ' CA ', 226.466, 230.966, 270.229], ['B', ' C ', 227.467, 229.885, 269.862], ['B', ' O ', 227.085, 228.905, 269.21], ['B', ' CB ', 226.314, 231.998, 269.101], ['B', ' CG ', 227.027, 233.217, 269.581], ['B', ' CD ', 226.884, 233.218, 271.06]]
[['B', ' N ', 228.73, 230.029, 270.254], ['B', ' CA ', 229.694, 228.956, 270.114], ['B', ' C ', 230.722, 228.999, 271.223], ['B', ' O ', 231.394, 230.016, 271.416]]
[['B', ' N ', 230.865, 227.895, 271.951], ['B', ' CA ', 231.744, 227.845, 273.109], ['B', ' C ', 232.229, 226.415, 273.299], ['B', ' O ', 231.849, 225.503, 272.558], ['B', ' CB ', 231.035, 228.352, 274.369], ['B', ' CG ', 231.137, 229.847, 274.59], ['B', ' CD ', 232.561, 230.35, 274.502], ['B', ' NE2', 233.389, 229.956, 275.461], ['B', ' OE1', 232.914, 231.086, 273.582]]
[['B', ' N ', 233.077, 226.226, 274.309], ['B', ' CA ', 233.601, 224.91, 274.674], ['B', ' C ', 233.69, 224.865, 276.195], ['B', ' O ', 234.639, 225.394, 276.782], ['B', ' CB ', 234.959, 224.649, 274.034], ['B', ' CG2', 234.805, 224.282, 272.565], ['B', ' OG1', 235.774, 225.822, 274.148]]
[['B', ' N ', 232.702, 224.24, 276.828], ['B', ' CA ', 232.685, 224.138, 278.275], ['B', ' C ', 231.806, 222.992, 278.719], ['B', ' O ', 231.056, 222.41, 277.932]]
[['B', ' N ', 231.915, 222.67, 280.011], ['B', ' CA ', 231.135, 221.567, 280.566], ['B', ' C ', 229.64, 221.837, 280.455], ['B', ' O ', 228.864, 220.942, 280.097], ['B', ' CB ', 231.534, 221.323, 282.021], ['B', ' CG ', 232.502, 220.169, 282.205], ['B', ' CD ', 231.752, 218.86, 282.38], ['B', ' CE ', 232.688, 217.668, 282.301], ['B', ' NZ ', 232.0, 216.408, 282.69]]
[['B', ' N ', 229.216, 223.063, 280.765], ['B', ' CA ', 227.829, 223.442, 280.524], ['B', ' C ', 227.532, 223.403, 279.034], ['B', ' O ', 226.465, 222.946, 278.607], ['B', ' CB ', 227.539, 224.828, 281.126], ['B', ' CG1', 227.872, 224.838, 282.618], ['B', ' CG2', 226.09, 225.212, 280.898], ['B', ' CD1', 227.222, 223.717, 283.395]]
[['B', ' N ', 228.476, 223.876, 278.218], ['B', ' CA ', 228.327, 223.805, 276.772], ['B', ' C ', 228.376, 222.376, 276.252], ['B', ' O ', 227.995, 222.136, 275.101], ['B', ' CB ', 229.41, 224.642, 276.091]]
[['B', ' N ', 228.834, 221.425, 277.063], ['B', ' CA ', 228.94, 220.035, 276.637], ['B', ' C ', 227.744, 219.187, 277.044], ['B', ' O ', 227.246, 218.403, 276.231], ['B', ' CB ', 230.218, 219.404, 277.199], ['B', ' CG ', 231.445, 219.75, 276.382], ['B', ' OD1', 231.31, 219.931, 275.155], ['B', ' OD2', 232.544, 219.84, 276.966]]
[['B', ' N ', 227.264, 219.324, 278.282], ['B', ' CA ', 226.228, 218.433, 278.787], ['B', ' C ', 225.058, 219.155, 279.447], ['B', ' O ', 224.202, 218.491, 280.043], ['B', ' CB ', 226.821, 217.429, 279.785], ['B', ' CG ', 228.043, 216.686, 279.291], ['B', ' CD1', 227.984, 215.895, 278.152], ['B', ' CD2', 229.247, 216.755, 279.979], ['B', ' CE1', 229.094, 215.205, 277.703], ['B', ' CE2', 230.362, 216.068, 279.538], ['B', ' CZ ', 230.279, 215.295, 278.4], ['B', ' OH ', 231.384, 214.61, 277.954]]
[['B', ' N ', 224.984, 220.481, 279.366], ['B', ' CA ', 223.946, 221.172, 280.122], ['B', ' C ', 223.126, 222.14, 279.278], ['B', ' O ', 221.932, 222.321, 279.537], ['B', ' CB ', 224.573, 221.902, 281.308], ['B', ' CG ', 225.358, 220.97, 282.211], ['B', ' ND2', 226.608, 220.708, 281.848], ['B', ' OD1', 224.844, 220.483, 283.217]]
[['B', ' N ', 223.739, 222.759, 278.271], ['B', ' CA ', 223.018, 223.715, 277.44], ['B', ' C ', 223.87, 224.037, 276.223], ['B', ' O ', 225.096, 223.906, 276.264], ['B', ' CB ', 222.693, 224.995, 278.22], ['B', ' CG ', 221.808, 225.964, 277.48], ['B', ' CD1', 220.442, 225.745, 277.386], ['B', ' CD2', 222.332, 227.097, 276.881], ['B', ' CE1', 219.623, 226.625, 276.716], ['B', ' CE2', 221.52, 227.983, 276.207], ['B', ' CZ ', 220.167, 227.742, 276.128], ['B', ' OH ', 219.353, 228.622, 275.454]]
[['B', ' N ', 223.213, 224.458, 275.143], ['B', ' CA ', 223.93, 224.795, 273.921], ['B', ' C ', 223.045, 225.673, 273.049], ['B', ' O ', 221.836, 225.772, 273.262], ['B', ' CB ', 224.369, 223.535, 273.168], ['B', ' CG ', 225.526, 223.759, 272.208], ['B', ' CD ', 226.78, 224.189, 272.948], ['B', ' CE ', 227.954, 224.317, 271.999], ['B', ' NZ ', 229.152, 224.875, 272.678]]
[['B', ' N ', 223.671, 226.31, 272.064], ['B', ' CA ', 223.029, 227.262, 271.175], ['B', ' C ', 223.32, 226.917, 269.723], ['B', ' O ', 224.365, 226.337, 269.415], ['B', ' CB ', 223.512, 228.687, 271.463], ['B', ' CG ', 222.829, 229.345, 272.653], ['B', ' CD1', 223.231, 230.798, 272.756], ['B', ' CD2', 221.328, 229.21, 272.528]]
[['B', ' N ', 222.414, 227.272, 268.805], ['B', ' CA ', 222.639, 226.968, 267.385], ['B', ' C ', 223.606, 227.928, 266.707], ['B', ' O ', 224.25, 228.748, 267.369], ['B', ' CB ', 221.235, 227.059, 266.776], ['B', ' CG ', 220.448, 227.898, 267.705], ['B', ' CD ', 221.113, 227.915, 269.046]]
[['B', ' N ', 223.718, 227.812, 265.38], ['B', ' CA ', 224.74, 228.538, 264.629], ['B', ' C ', 224.598, 230.047, 264.794], ['B', ' O ', 225.473, 230.709, 265.362], ['B', ' CB ', 224.665, 228.153, 263.15], ['B', ' CG ', 225.86, 228.646, 262.354], ['B', ' OD1', 226.793, 229.212, 262.961], ['B', ' OD2', 225.864, 228.473, 261.117]]
[['B', ' N ', 223.501, 230.614, 264.297], ['B', ' CA ', 223.336, 232.061, 264.295], ['B', ' C ', 222.651, 232.588, 265.545], ['B', ' O ', 223.091, 233.598, 266.099], ['B', ' CB ', 222.549, 232.505, 263.061], ['B', ' CG ', 222.774, 233.968, 262.724], ['B', ' OD1', 222.316, 234.838, 263.494], ['B', ' OD2', 223.419, 234.245, 261.69]]
[['B', ' N ', 221.584, 231.931, 265.995], ['B', ' CA ', 220.878, 232.294, 267.223], ['B', ' C ', 220.482, 233.775, 267.211], ['B', ' O ', 220.982, 234.606, 267.966], ['B', ' CB ', 221.722, 231.93, 268.449], ['B', ' CG ', 221.249, 232.559, 269.724], ['B', ' CD1', 219.942, 232.418, 270.14], ['B', ' CD2', 222.116, 233.312, 270.497], ['B', ' CE1', 219.514, 233.009, 271.31], ['B', ' CE2', 221.693, 233.902, 271.667], ['B', ' CZ ', 220.391, 233.75, 272.074]]
[['B', ' N ', 219.587, 234.096, 266.287], ['B', ' CA ', 218.96, 235.41, 266.302], ['B', ' C ', 218.055, 235.499, 267.525], ['B', ' O ', 217.123, 234.705, 267.682], ['B', ' CB ', 218.2, 235.655, 265.001], ['B', ' CG2', 217.254, 234.502, 264.672], ['B', ' OG1', 217.481, 236.892, 265.084]]
[['B', ' N ', 218.348, 236.444, 268.41], ['B', ' CA ', 217.719, 236.494, 269.716], ['B', ' C ', 218.801, 236.623, 270.761], ['B', ' O ', 219.978, 236.514, 270.409]]
[['B', ' N ', 218.465, 236.836, 272.031], ['B', ' CA ', 219.531, 237.149, 272.972], ['B', ' C ', 219.143, 236.816, 274.405], ['B', ' O ', 218.084, 236.247, 274.682], ['B', ' CB ', 219.949, 238.607, 272.838], ['B', ' SG ', 218.724, 239.874, 273.125]]
[['B', ' N ', 220.039, 237.205, 275.317], ['B', ' CA ', 220.14, 236.667, 276.665], ['B', ' C ', 220.343, 237.811, 277.647], ['B', ' O ', 221.015, 238.801, 277.346], ['B', ' CB ', 221.299, 235.653, 276.758], ['B', ' CG1', 222.619, 236.326, 276.425], ['B', ' CG2', 221.361, 235.035, 278.128]]
[['B', ' N ', 219.747, 237.677, 278.826], ['B', ' CA ', 219.842, 238.683, 279.874], ['B', ' C ', 220.265, 238.0, 281.165], ['B', ' O ', 219.77, 236.916, 281.492], ['B', ' CB ', 218.505, 239.42, 280.077], ['B', ' CG1', 217.893, 239.813, 278.734], ['B', ' CG2', 218.71, 240.646, 280.94], ['B', ' CD1', 216.399, 240.056, 278.799]]
[['B', ' N ', 221.174, 238.635, 281.904], ['B', ' CA ', 221.66, 238.103, 283.171], ['B', ' C ', 221.605, 239.183, 284.24], ['B', ' O ', 222.04, 240.314, 284.006], ['B', ' CB ', 223.09, 237.573, 283.038]]
[['B', ' N ', 221.074, 238.831, 285.411], ['B', ' CA ', 221.055, 239.731, 286.555], ['B', ' C ', 221.368, 238.942, 287.819], ['B', ' O ', 221.09, 237.742, 287.904], ['B', ' CB ', 219.704, 240.452, 286.688], ['B', ' CG ', 218.592, 239.608, 287.229], ['B', ' CD1', 218.314, 239.364, 288.541], ['B', ' CD2', 217.59, 238.92, 286.475], ['B', ' CE2', 216.746, 238.27, 287.396], ['B', ' CE3', 217.326, 238.787, 285.111], ['B', ' NE1', 217.211, 238.556, 288.651], ['B', ' CZ2', 215.659, 237.5, 286.997], ['B', ' CZ3', 216.243, 238.018, 284.715], ['B', ' CH2', 215.424, 237.386, 285.655]]
[['B', ' N ', 221.95, 239.629, 288.8], ['B', ' CA ', 222.353, 238.978, 290.04], ['B', ' C ', 221.142, 238.589, 290.878], ['B', ' O ', 220.175, 239.347, 290.996], ['B', ' CB ', 223.272, 239.89, 290.847], ['B', ' CG ', 223.743, 239.246, 292.131], ['B', ' ND2', 223.8, 240.029, 293.2], ['B', ' OD1', 224.055, 238.056, 292.163]]
[['B', ' N ', 221.21, 237.4, 291.479], ['B', ' CA ', 220.093, 236.84, 292.225], ['B', ' C ', 220.441, 236.437, 293.651], ['B', ' O ', 219.629, 235.767, 294.3], ['B', ' CB ', 219.525, 235.621, 291.489], ['B', ' OG ', 218.327, 235.172, 292.098]]
[['B', ' N ', 221.612, 236.815, 294.16], ['B', ' CA ', 222.008, 236.458, 295.522], ['B', ' C ', 221.402, 237.436, 296.531], ['B', ' O ', 222.085, 238.046, 297.354], ['B', ' CB ', 223.524, 236.414, 295.638], ['B', ' CG ', 223.99, 235.643, 296.852], ['B', ' ND2', 224.526, 236.356, 297.834], ['B', ' OD1', 223.864, 234.421, 296.911]]
[['B', ' N ', 220.082, 237.578, 296.446], ['B', ' CA ', 219.342, 238.436, 297.36], ['B', ' C ', 218.072, 237.801, 297.899], ['B', ' O ', 217.524, 238.315, 298.878], ['B', ' CB ', 218.985, 239.76, 296.671], ['B', ' CG ', 218.449, 239.557, 295.269], ['B', ' ND2', 218.133, 240.654, 294.589], ['B', ' OD1', 218.322, 238.426, 294.8]]
[['B', ' N ', 217.59, 236.721, 297.313], ['B', ' CA ', 216.384, 236.048, 297.778], ['B', ' C ', 216.592, 234.561, 298.015], ['B', ' O ', 215.975, 233.997, 298.922], ['B', ' CB ', 215.245, 236.265, 296.766], ['B', ' CG ', 213.963, 235.452, 296.955], ['B', ' CD1', 213.291, 235.806, 298.272], ['B', ' CD2', 213.013, 235.669, 295.79]]
[['B', ' N ', 217.454, 233.913, 297.233], ['B', ' CA ', 217.645, 232.471, 297.306], ['B', ' C ', 219.061, 232.093, 297.731], ['B', ' O ', 219.6, 231.082, 297.277], ['B', ' CB ', 217.304, 231.824, 295.965], ['B', ' CG ', 215.907, 232.168, 295.494], ['B', ' OD1', 215.043, 232.444, 296.353], ['B', ' OD2', 215.672, 232.164, 294.268]]
[['B', ' N ', 219.68, 232.901, 298.594], ['B', ' CA ', 220.992, 232.54, 299.124], ['B', ' C ', 220.907, 231.278, 299.976], ['B', ' O ', 221.731, 230.366, 299.835], ['B', ' CB ', 221.572, 233.702, 299.932], ['B', ' OG ', 222.91, 233.439, 300.315]]
[['B', ' N ', 219.903, 231.203, 300.851], ['B', ' CA ', 219.649, 230.044, 301.708], ['B', ' C ', 220.916, 229.636, 302.467], ['B', ' O ', 221.511, 228.583, 302.238], ['B', ' CB ', 219.083, 228.877, 300.893], ['B', ' CG ', 218.14, 227.98, 301.682], ['B', ' CD ', 218.858, 226.762, 302.237], ['B', ' CE ', 217.896, 225.835, 302.959], ['B', ' NZ ', 218.59, 224.64, 303.509]]
[['B', ' N ', 221.322, 230.537, 303.366], ['B', ' CA ', 222.55, 230.349, 304.128], ['B', ' C ', 222.519, 229.018, 304.867], ['B', ' O ', 221.481, 228.593, 305.387], ['B', ' CB ', 222.75, 231.526, 305.099], ['B', ' CG1', 222.966, 232.814, 304.325], ['B', ' CG2', 221.551, 231.662, 306.028]]
[['B', ' N ', 223.67, 228.348, 304.904], ['B', ' CA ', 223.788, 227.077, 305.593], ['B', ' C ', 223.144, 225.918, 304.861], ['B', ' O ', 222.156, 225.351, 305.338]]
[['B', ' N ', 223.692, 225.552, 303.704], ['B', ' CA ', 223.11, 224.489, 302.907], ['B', ' C ', 222.846, 224.895, 301.472], ['B', ' O ', 223.785, 225.109, 300.699]]
[['B', ' N ', 221.565, 224.98, 301.107], ['B', ' CA ', 221.133, 225.421, 299.779], ['B', ' C ', 221.577, 224.434, 298.697], ['B', ' O ', 222.245, 224.793, 297.725], ['B', ' CB ', 221.639, 226.837, 299.483], ['B', ' CG ', 220.974, 227.458, 298.273], ['B', ' ND2', 221.343, 228.696, 297.968], ['B', ' OD1', 220.134, 226.837, 297.623]]
[['B', ' N ', 221.202, 223.173, 298.88], ['B', ' CA ', 221.41, 222.139, 297.866], ['B', ' C ', 220.127, 221.908, 297.069], ['B', ' O ', 219.539, 220.827, 297.075], ['B', ' CB ', 221.893, 220.847, 298.519], ['B', ' CG ', 223.372, 220.817, 298.829], ['B', ' CD1', 224.292, 220.414, 297.872], ['B', ' CD2', 223.847, 221.186, 300.08], ['B', ' CE1', 225.645, 220.379, 298.15], ['B', ' CE2', 225.199, 221.157, 300.368], ['B', ' CZ ', 226.093, 220.753, 299.399], ['B', ' OH ', 227.439, 220.724, 299.683]]
[['B', ' N ', 219.69, 222.956, 296.372], ['B', ' CA ', 218.496, 222.895, 295.539], ['B', ' C ', 218.811, 223.04, 294.057], ['B', ' O ', 217.888, 223.169, 293.247], ['B', ' CB ', 217.496, 223.971, 295.965], ['B', ' CG ', 216.89, 223.695, 297.323], ['B', ' ND2', 217.135, 224.589, 298.273], ['B', ' OD1', 216.208, 222.69, 297.517]]
[['B', ' N ', 220.087, 223.026, 293.682], ['B', ' CA ', 220.486, 223.272, 292.305], ['B', ' C ', 221.643, 222.358, 291.938], ['B', ' O ', 222.636, 222.286, 292.666], ['B', ' CB ', 220.868, 224.743, 292.109], ['B', ' CG ', 219.851, 225.699, 292.695], ['B', ' CD1', 218.691, 226.019, 292.006], ['B', ' CD2', 220.039, 226.258, 293.951], ['B', ' CE1', 217.755, 226.884, 292.542], ['B', ' CE2', 219.11, 227.123, 294.495], ['B', ' CZ ', 217.97, 227.432, 293.787], ['B', ' OH ', 217.043, 228.293, 294.327]]
[['B', ' N ', 221.51, 221.662, 290.812], ['B', ' CA ', 222.48, 220.664, 290.389], ['B', ' C ', 222.771, 220.826, 288.904], ['B', ' O ', 221.957, 221.355, 288.144], ['B', ' CB ', 221.976, 219.24, 290.672], ['B', ' CG ', 221.429, 218.948, 292.072], ['B', ' CD1', 219.918, 219.13, 292.117], ['B', ' CD2', 221.812, 217.548, 292.523]]
[['B', ' N ', 223.951, 220.363, 288.494], ['B', ' CA ', 224.328, 220.336, 287.089], ['B', ' C ', 224.922, 218.977, 286.748], ['B', ' O ', 225.482, 218.291, 287.606], ['B', ' CB ', 225.317, 221.458, 286.736], ['B', ' CG ', 226.666, 221.358, 287.403], ['B', ' CD1', 226.872, 221.871, 288.674], ['B', ' CD2', 227.741, 220.77, 286.752], ['B', ' CE1', 228.106, 221.791, 289.284], ['B', ' CE2', 228.98, 220.685, 287.355], ['B', ' CZ ', 229.156, 221.197, 288.621], ['B', ' OH ', 230.388, 221.114, 289.227]]
[['B', ' N ', 224.79, 218.596, 285.48], ['B', ' CA ', 225.16, 217.258, 285.045], ['B', ' C ', 226.671, 217.117, 284.916], ['B', ' O ', 227.358, 218.019, 284.429], ['B', ' CB ', 224.488, 216.928, 283.712], ['B', ' CG ', 224.791, 215.533, 283.195], ['B', ' CD ', 224.197, 215.311, 281.815], ['B', ' NE ', 222.739, 215.393, 281.83], ['B', ' CZ ', 221.94, 214.417, 282.25], ['B', ' NH1', 222.455, 213.278, 282.69], ['B', ' NH2', 220.624, 214.58, 282.228]]
[['B', ' N ', 227.18, 215.973, 285.361], ['B', ' CA ', 228.595, 215.64, 285.286], ['B', ' C ', 228.862, 214.882, 283.983], ['B', ' O ', 228.055, 214.931, 283.051], ['B', ' CB ', 229.008, 214.855, 286.535], ['B', ' CG ', 230.447, 215.045, 287.015], ['B', ' CD1', 230.73, 216.514, 287.281], ['B', ' CD2', 230.708, 214.209, 288.258]]
[['B', ' N ', 230.014, 214.214, 283.899], ['B', ' CA ', 230.437, 213.449, 282.729], ['B', ' C ', 229.288, 212.677, 282.093], ['B', ' O ', 228.529, 211.988, 282.779], ['B', ' CB ', 231.545, 212.472, 283.133], ['B', ' CG ', 232.915, 213.085, 283.183], ['B', ' CD1', 233.522, 213.559, 282.032], ['B', ' CD2', 233.601, 213.179, 284.383], ['B', ' CE1', 234.786, 214.119, 282.077], ['B', ' CE2', 234.864, 213.738, 284.435], ['B', ' CZ ', 235.457, 214.209, 283.28]]
[['B', ' N ', 229.165, 212.804, 280.772], ['B', ' CA ', 228.187, 212.056, 279.995], ['B', ' C ', 228.873, 211.505, 278.753], ['B', ' O ', 229.924, 211.994, 278.334], ['B', ' CB ', 226.98, 212.924, 279.607], ['B', ' CG ', 225.727, 212.134, 279.252], ['B', ' CD ', 224.548, 213.052, 278.961], ['B', ' NE ', 224.695, 213.755, 277.689], ['B', ' CZ ', 224.187, 213.33, 276.536], ['B', ' NH1', 223.491, 212.203, 276.491], ['B', ' NH2', 224.372, 214.035, 275.429]]
[['B', ' N ', 228.263, 210.469, 278.169], ['B', ' CA ', 228.88, 209.766, 277.047], ['B', ' C ', 229.114, 210.7, 275.865], ['B', ' O ', 230.257, 210.943, 275.462], ['B', ' CB ', 228.007, 208.582, 276.627], ['B', ' CG ', 227.797, 207.54, 277.711], ['B', ' CD ', 226.535, 206.735, 277.459], ['B', ' CE ', 226.716, 205.794, 276.28], ['B', ' NZ ', 226.235, 204.42, 276.588]]
[['B', ' N ', 228.04, 211.231, 275.294], ['B', ' CA ', 228.121, 212.116, 274.144], ['B', ' C ', 227.753, 213.537, 274.546], ['B', ' O ', 227.118, 213.773, 275.577], ['B', ' CB ', 227.203, 211.634, 273.015], ['B', ' OG ', 227.612, 210.366, 272.534]]
[['B', ' N ', 228.159, 214.487, 273.71], ['B', ' CA ', 227.868, 215.893, 273.95], ['B', ' C ', 226.394, 216.163, 273.647], ['B', ' O ', 225.614, 215.25, 273.363], ['B', ' CB ', 228.809, 216.77, 273.129], ['B', ' CG ', 228.858, 216.364, 271.672], ['B', ' ND2', 229.723, 217.017, 270.906], ['B', ' OD1', 228.13, 215.472, 271.239]]
[['B', ' N ', 225.991, 217.427, 273.708], ['B', ' CA ', 224.595, 217.807, 273.558], ['B', ' C ', 224.364, 218.5, 272.221], ['B', ' O ', 225.294, 218.766, 271.456], ['B', ' CB ', 224.155, 218.712, 274.714], ['B', ' CG ', 223.555, 217.982, 275.916], ['B', ' CD1', 222.845, 218.96, 276.836], ['B', ' CD2', 222.608, 216.885, 275.458]]
[['B', ' N ', 223.1, 218.789, 271.952], ['B', ' CA ', 222.641, 219.382, 270.708], ['B', ' C ', 221.762, 220.584, 271.011], ['B', ' O ', 221.259, 220.726, 272.131], ['B', ' CB ', 221.866, 218.358, 269.864], ['B', ' CG ', 222.629, 217.072, 269.609], ['B', ' CD ', 221.937, 216.209, 268.572], ['B', ' CE ', 222.922, 215.256, 267.92], ['B', ' NZ ', 224.193, 215.945, 267.564]]
[['B', ' N ', 221.582, 221.491, 270.033], ['B', ' CA ', 220.766, 222.695, 270.257], ['B', ' C ', 219.438, 222.454, 270.959], ['B', ' O ', 218.561, 221.757, 270.44], ['B', ' CB ', 220.534, 223.221, 268.836], ['B', ' CG ', 221.682, 222.691, 268.024], ['B', ' CD ', 222.364, 221.587, 268.788]]
[['B', ' N ', 219.296, 223.044, 272.147], ['B', ' CA ', 218.045, 223.037, 272.905], ['B', ' C ', 217.549, 221.619, 273.178], ['B', ' O ', 216.35, 221.341, 273.127], ['B', ' CB ', 216.968, 223.853, 272.191], ['B', ' CG ', 217.36, 225.275, 271.924], ['B', ' CD1', 217.443, 226.188, 272.957], ['B', ' CD2', 217.632, 225.7, 270.64], ['B', ' CE1', 217.795, 227.494, 272.715], ['B', ' CE2', 217.985, 227.005, 270.394], ['B', ' CZ ', 218.067, 227.903, 271.433]]
[['B', ' N ', 218.473, 220.714, 273.476], ['B', ' CA ', 218.105, 219.356, 273.837], ['B', ' C ', 218.053, 219.207, 275.351], ['B', ' O ', 218.915, 219.709, 276.076], ['B', ' CB ', 219.088, 218.346, 273.246], ['B', ' CG ', 218.615, 216.897, 273.3], ['B', ' CD ', 217.223, 216.698, 272.727], ['B', ' OE1', 217.119, 216.293, 271.551], ['B', ' OE2', 216.233, 216.919, 273.455]]
[['B', ' N ', 217.024, 218.509, 275.823], ['B', ' CA ', 216.796, 218.304, 277.248], ['B', ' C ', 216.823, 216.814, 277.543], ['B', ' O ', 216.122, 216.038, 276.886], ['B', ' CB ', 215.46, 218.906, 277.686], ['B', ' CG ', 215.221, 218.847, 279.181], ['B', ' CD ', 214.163, 219.844, 279.599], ['B', ' NE ', 213.974, 219.861, 281.046], ['B', ' CZ ', 212.894, 219.393, 281.663], ['B', ' NH1', 211.899, 218.873, 280.959], ['B', ' NH2', 212.807, 219.45, 282.984]]
[['B', ' N ', 217.625, 216.417, 278.525], ['B', ' CA ', 217.694, 215.033, 278.971], ['B', ' C ', 217.556, 214.987, 280.485], ['B', ' O ', 218.263, 215.705, 281.199], ['B', ' CB ', 219.005, 214.375, 278.538], ['B', ' CG ', 219.255, 213.06, 279.247], ['B', ' OD1', 218.405, 212.151, 279.134], ['B', ' OD2', 220.299, 212.935, 279.92]]
[['B', ' N ', 216.649, 214.142, 280.966], ['B', ' CA ', 216.404, 213.972, 282.391], ['B', ' C ', 216.74, 212.546, 282.833], ['B', ' O ', 216.757, 212.243, 284.021], ['B', ' CB ', 214.951, 214.354, 282.74], ['B', ' CG1', 214.637, 215.753, 282.215], ['B', ' CG2', 214.718, 214.368, 284.244], ['B', ' CD1', 215.505, 216.837, 282.811]]
[['B', ' N ', 217.062, 211.674, 281.877], ['B', ' CA ', 217.295, 210.259, 282.163], ['B', ' C ', 218.628, 210.117, 282.893], ['B', ' O ', 219.662, 209.768, 282.32], ['B', ' CB ', 217.265, 209.442, 280.878], ['B', ' OG ', 218.202, 209.936, 279.937]]
[['B', ' N ', 218.59, 210.395, 284.191], ['B', ' CA ', 219.742, 210.264, 285.07], ['B', ' C ', 219.601, 209.002, 285.914], ['B', ' O ', 218.64, 208.24, 285.777], ['B', ' CB ', 219.894, 211.502, 285.955], ['B', ' CG2', 219.884, 212.767, 285.11], ['B', ' OG1', 218.817, 211.553, 286.898]]
[['B', ' N ', 220.609, 208.771, 286.761], ['B', ' CA ', 220.706, 207.657, 287.707], ['B', ' C ', 220.482, 206.299, 287.044], ['B', ' O ', 220.272, 205.295, 287.731], ['B', ' CB ', 219.745, 207.841, 288.896], ['B', ' CG ', 218.264, 207.586, 288.64], ['B', ' CD ', 217.449, 208.864, 288.593], ['B', ' OE1', 216.232, 208.804, 288.869], ['B', ' OE2', 218.024, 209.93, 288.288]]
[['B', ' N ', 220.538, 206.253, 285.714], ['B', ' CA ', 220.453, 204.991, 284.983], ['B', ' C ', 221.572, 204.81, 283.972], ['B', ' O ', 221.831, 203.671, 283.542], ['B', ' CB ', 219.079, 204.853, 284.288], ['B', ' CG1', 218.912, 205.931, 283.215], ['B', ' CG2', 217.95, 204.914, 285.305], ['B', ' CD1', 217.815, 205.631, 282.215]]
[['B', ' N ', 222.258, 205.868, 283.556], ['B', ' CA ', 223.407, 205.751, 282.674], ['B', ' C ', 224.692, 205.702, 283.492], ['B', ' O ', 224.719, 206.073, 284.669], ['B', ' CB ', 223.442, 206.91, 281.675], ['B', ' CG ', 223.727, 208.266, 282.283], ['B', ' CD1', 222.724, 208.985, 282.921], ['B', ' CD2', 224.99, 208.838, 282.199], ['B', ' CE1', 222.973, 210.224, 283.472], ['B', ' CE2', 225.248, 210.081, 282.746], ['B', ' CZ ', 224.235, 210.769, 283.382], ['B', ' OH ', 224.484, 212.006, 283.929]]
[['B', ' N ', 225.76, 205.233, 282.854], ['B', ' CA ', 226.985, 204.915, 283.573], ['B', ' C ', 227.63, 206.162, 284.167], ['B', ' O ', 227.675, 207.223, 283.539], ['B', ' CB ', 227.975, 204.208, 282.645], ['B', ' CG ', 228.29, 204.964, 281.362], ['B', ' CD ', 229.521, 205.843, 281.487], ['B', ' NE2', 229.485, 207.007, 280.852], ['B', ' OE1', 230.491, 205.479, 282.15]]
[['B', ' N ', 228.112, 206.026, 285.404], ['B', ' CA ', 229.028, 206.98, 286.03], ['B', ' C ', 230.164, 206.146, 286.622], ['B', ' O ', 230.151, 205.801, 287.806], ['B', ' CB ', 228.323, 207.83, 287.081]]
[['B', ' N ', 231.151, 205.826, 285.788], ['B', ' CA ', 232.236, 204.946, 286.155], ['B', ' C ', 232.366, 203.823, 285.149], ['B', ' O ', 231.913, 203.93, 284.005]]
[['B', ' N ', 232.992, 202.731, 285.582], ['B', ' CA ', 233.238, 201.574, 284.724], ['B', ' C ', 232.873, 200.29, 285.462], ['B', ' O ', 233.637, 199.324, 285.496], ['B', ' CB ', 234.691, 201.544, 284.254], ['B', ' OG ', 235.568, 201.247, 285.326]]
[['B', ' N ', 231.693, 200.269, 286.065], ['B', ' CA ', 231.245, 199.161, 286.892], ['B', ' C ', 229.863, 198.694, 286.466], ['B', ' O ', 229.094, 199.455, 285.871], ['B', ' CB ', 231.218, 199.56, 288.376], ['B', ' CG2', 232.625, 199.82, 288.881], ['B', ' OG1', 230.421, 200.74, 288.544]]
[['B', ' N ', 229.518, 197.433, 286.76], ['B', ' CA ', 228.155, 196.945, 286.494], ['B', ' C ', 227.151, 197.432, 287.529], ['B', ' O ', 226.062, 196.864, 287.661], ['B', ' CB ', 228.303, 195.417, 286.542], ['B', ' CG ', 229.77, 195.14, 286.507], ['B', ' CD ', 230.451, 196.339, 287.074]]
[['B', ' N ', 227.526, 198.476, 288.27], ['B', ' CA ', 226.791, 199.003, 289.415], ['B', ' C ', 225.282, 199.054, 289.221], ['B', ' O ', 224.54, 198.353, 289.916], ['B', ' CB ', 227.314, 200.41, 289.703], ['B', ' SG ', 226.338, 201.399, 290.823]]
[['B', ' N ', 224.829, 199.902, 288.302], ['B', ' CA ', 223.48, 199.893, 287.742], ['B', ' C ', 222.383, 200.328, 288.716], ['B', ' O ', 221.289, 200.696, 288.278], ['B', ' CB ', 223.166, 198.486, 287.216], ['B', ' CG ', 221.969, 198.45, 286.287], ['B', ' ND2', 221.577, 197.247, 285.884], ['B', ' OD1', 221.396, 199.482, 285.942]]
[['B', ' N ', 222.642, 200.33, 290.025], ['B', ' CA ', 221.636, 200.878, 290.917], ['B', ' C ', 222.043, 201.491, 292.244], ['B', ' O ', 221.192, 202.079, 292.92]]
[['B', ' N ', 223.317, 201.402, 292.631], ['B', ' CA ', 223.73, 201.792, 293.98], ['B', ' C ', 225.146, 202.357, 293.984], ['B', ' O ', 226.113, 201.649, 293.685], ['B', ' CB ', 223.611, 200.615, 294.975], ['B', ' CG1', 222.156, 200.264, 295.252], ['B', ' CG2', 224.322, 199.377, 294.439]]
[['B', ' N ', 225.282, 203.627, 294.365], ['B', ' CA ', 226.588, 204.274, 294.365], ['B', ' C ', 227.561, 203.522, 295.267], ['B', ' O ', 227.227, 203.155, 296.397], ['B', ' CB ', 226.458, 205.731, 294.814], ['B', ' CG ', 225.848, 205.92, 296.196], ['B', ' CD ', 224.337, 206.015, 296.162], ['B', ' OE1', 223.745, 205.705, 295.107], ['B', ' OE2', 223.741, 206.396, 297.191]]
[['B', ' N ', 228.763, 203.277, 294.753], ['B', ' CA ', 229.768, 202.54, 295.493], ['B', ' C ', 231.113, 203.235, 295.514], ['B', ' O ', 231.186, 204.46, 295.376]]
[['B', ' N ', 232.188, 202.464, 295.692], ['B', ' CA ', 233.522, 203.055, 295.693], ['B', ' C ', 233.907, 203.532, 294.298], ['B', ' O ', 234.414, 204.648, 294.129], ['B', ' CB ', 234.545, 202.049, 296.222], ['B', ' CG ', 235.971, 202.471, 296.013], ['B', ' CD1', 236.461, 203.617, 296.617], ['B', ' CD2', 236.82, 201.725, 295.214], ['B', ' CE1', 237.772, 204.012, 296.429], ['B', ' CE2', 238.133, 202.115, 295.022], ['B', ' CZ ', 238.609, 203.26, 295.63]]
[['B', ' N ', 233.674, 202.7, 293.284], ['B', ' CA ', 233.908, 203.091, 291.9], ['B', ' C ', 232.644, 203.652, 291.257], ['B', ' O ', 232.708, 204.62, 290.494], ['B', ' CB ', 234.434, 201.899, 291.097], ['B', ' CG ', 235.939, 201.752, 291.191], ['B', ' ND2', 236.417, 200.515, 291.135], ['B', ' OD1', 236.664, 202.739, 291.311]]
[['B', ' N ', 231.491, 203.051, 291.552], ['B', ' CA ', 230.206, 203.586, 291.12], ['B', ' C ', 229.921, 204.884, 291.865], ['B', ' O ', 229.584, 204.86, 293.053], ['B', ' CB ', 229.097, 202.556, 291.361], ['B', ' SG ', 227.411, 203.116, 291.013]]
[['B', ' N ', 230.048, 206.022, 291.18], ['B', ' CA ', 229.957, 207.314, 291.852], ['B', ' C ', 228.89, 208.21, 291.231], ['B', ' O ', 228.091, 207.758, 290.404], ['B', ' CB ', 231.32, 208.016, 291.849], ['B', ' CG ', 231.818, 208.447, 290.486], ['B', ' CD1', 232.459, 207.548, 289.644], ['B', ' CD2', 231.672, 209.758, 290.053], ['B', ' CE1', 232.922, 207.936, 288.404], ['B', ' CE2', 232.134, 210.156, 288.814], ['B', ' CZ ', 232.758, 209.241, 287.993], ['B', ' OH ', 233.22, 209.632, 286.758]]
[['B', ' N ', 228.873, 209.476, 291.634], ['B', ' CA ', 227.772, 210.381, 291.326], ['B', ' C ', 227.665, 210.655, 289.83], ['B', ' O ', 228.642, 211.115, 289.22], ['B', ' CB ', 227.96, 211.694, 292.079], ['B', ' CG ', 228.278, 211.519, 293.535], ['B', ' CD1', 227.264, 211.361, 294.465], ['B', ' CD2', 229.591, 211.515, 293.976], ['B', ' CE1', 227.553, 211.201, 295.806], ['B', ' CE2', 229.886, 211.354, 295.315], ['B', ' CZ ', 228.866, 211.197, 296.231]]
[['B', ' N ', 226.514, 210.389, 289.204], ['B', ' CA ', 226.335, 210.823, 287.808], ['B', ' C ', 226.252, 212.33, 287.66], ['B', ' O ', 226.529, 212.855, 286.574], ['B', ' CB ', 225.024, 210.138, 287.393], ['B', ' CG ', 224.789, 209.066, 288.419], ['B', ' CD ', 225.376, 209.592, 289.686]]
[['B', ' N ', 225.868, 213.043, 288.718], ['B', ' CA ', 225.692, 214.488, 288.68], ['B', ' C ', 226.223, 215.103, 289.969], ['B', ' O ', 226.494, 214.406, 290.95], ['B', ' CB ', 224.22, 214.877, 288.488], ['B', ' CG ', 223.308, 214.788, 289.714], ['B', ' CD1', 222.021, 215.553, 289.46], ['B', ' CD2', 223.006, 213.346, 290.097]]
[['B', ' N ', 226.363, 216.428, 289.958], ['B', ' CA ', 226.943, 217.166, 291.07], ['B', ' C ', 226.043, 218.338, 291.44], ['B', ' O ', 225.19, 218.763, 290.659], ['B', ' CB ', 228.352, 217.667, 290.726], ['B', ' CG ', 229.279, 217.794, 291.918], ['B', ' CD ', 229.348, 219.21, 292.446], ['B', ' NE2', 229.621, 219.348, 293.737], ['B', ' OE1', 229.156, 220.171, 291.703]]
[['B', ' N ', 226.243, 218.855, 292.653], ['B', ' CA ', 225.451, 219.959, 293.176], ['B', ' C ', 226.366, 220.983, 293.834], ['B', ' O ', 227.468, 220.657, 294.28], ['B', ' CB ', 224.404, 219.472, 294.183], ['B', ' OG ', 225.026, 218.893, 295.316]]
[['B', ' N ', 225.891, 222.229, 293.897], ['B', ' CA ', 226.715, 223.321, 294.407], ['B', ' C ', 226.707, 223.38, 295.932], ['B', ' O ', 227.749, 223.213, 296.575], ['B', ' CB ', 226.24, 224.654, 293.826], ['B', ' CG ', 226.489, 224.806, 292.345], ['B', ' CD1', 227.753, 225.119, 291.866], ['B', ' CD2', 225.462, 224.643, 291.427], ['B', ' CE1', 227.989, 225.262, 290.514], ['B', ' CE2', 225.687, 224.785, 290.074], ['B', ' CZ ', 226.953, 225.094, 289.623], ['B', ' OH ', 227.185, 225.235, 288.275]]
[['B', ' N ', 225.54, 223.616, 296.528], ['B', ' CA ', 225.47, 223.852, 297.958], ['B', ' C ', 225.893, 225.26, 298.327], ['B', ' O ', 226.905, 225.456, 299.006]]
[['B', ' N ', 225.12, 226.247, 297.879], ['B', ' CA ', 225.53, 227.644, 297.968], ['B', ' C ', 225.612, 228.124, 299.413], ['B', ' O ', 224.712, 227.871, 300.22], ['B', ' CB ', 224.557, 228.518, 297.179], ['B', ' CG ', 224.462, 228.165, 295.723], ['B', ' CD1', 225.508, 228.442, 294.861], ['B', ' CD2', 223.325, 227.559, 295.215], ['B', ' CE1', 225.423, 228.121, 293.52], ['B', ' CE2', 223.235, 227.235, 293.876], ['B', ' CZ ', 224.283, 227.516, 293.027]]
[['B', ' N ', 226.702, 228.821, 299.726], ['B', ' CA ', 226.94, 229.639, 300.904], ['B', ' C ', 226.793, 231.112, 300.544], ['B', ' O ', 226.9, 231.486, 299.373], ['B', ' CB ', 228.335, 229.361, 301.462], ['B', ' CG ', 228.434, 228.087, 302.287], ['B', ' CD ', 229.034, 226.931, 301.516], ['B', ' NE2', 228.713, 225.712, 301.932], ['B', ' OE1', 229.781, 227.129, 300.56]]
[['B', ' N ', 226.535, 231.985, 301.528], ['B', ' CA ', 226.224, 233.386, 301.203], ['B', ' C ', 227.33, 234.148, 300.486], ['B', ' O ', 227.098, 234.692, 299.402], ['B', ' CB ', 225.939, 234.008, 302.578], ['B', ' CG ', 226.559, 233.074, 303.566], ['B', ' CD ', 226.39, 231.719, 302.968]]
[['B', ' N ', 228.529, 234.207, 301.066], ['B', ' CA ', 229.538, 235.136, 300.563], ['B', ' C ', 230.304, 234.571, 299.368], ['B', ' O ', 230.244, 235.125, 298.265], ['B', ' CB ', 230.505, 235.513, 301.687], ['B', ' CG2', 229.805, 236.391, 302.712], ['B', ' OG1', 230.981, 234.323, 302.329]]
[['B', ' N ', 231.054, 233.486, 299.581], ['B', ' CA ', 231.884, 232.861, 298.551], ['B', ' C ', 232.957, 233.785, 297.983], ['B', ' O ', 233.679, 233.398, 297.059], ['B', ' CB ', 231.034, 232.337, 297.393], ['B', ' CG ', 230.554, 230.921, 297.558], ['B', ' CD1', 231.455, 229.88, 297.724], ['B', ' CD2', 229.206, 230.615, 297.493], ['B', ' CE1', 231.022, 228.579, 297.859], ['B', ' CE2', 228.765, 229.321, 297.619], ['B', ' CZ ', 229.674, 228.305, 297.805], ['B', ' OH ', 229.232, 227.01, 297.935]]
[['B', ' N ', 233.076, 235.002, 298.515], ['B', ' CA ', 233.969, 236.006, 297.971], ['B', ' C ', 233.188, 237.201, 297.444], ['B', ' O ', 232.188, 237.616, 298.041]]
[['B', ' N ', 233.648, 237.745, 296.318], ['B', ' CA ', 233.006, 238.894, 295.682], ['B', ' C ', 232.171, 238.472, 294.468], ['B', ' O ', 230.946, 238.606, 294.476], ['B', ' CB ', 234.039, 239.986, 295.319], ['B', ' CG1', 234.588, 240.613, 296.587], ['B', ' CG2', 235.206, 239.411, 294.526]]
[['B', ' N ', 232.811, 237.961, 293.418], ['B', ' CA ', 232.042, 237.345, 292.357], ['B', ' C ', 232.083, 235.833, 292.391], ['B', ' O ', 232.988, 235.218, 291.818]]
[['B', ' N ', 231.112, 235.222, 293.058], ['B', ' CA ', 230.871, 233.793, 292.903], ['B', ' C ', 229.4, 233.433, 293.028], ['B', ' O ', 229.073, 232.244, 292.984], ['B', ' CB ', 231.694, 232.996, 293.924], ['B', ' CG ', 232.078, 231.618, 293.44], ['B', ' CD1', 232.982, 231.457, 292.401], ['B', ' CD2', 231.534, 230.481, 294.018], ['B', ' CE1', 233.338, 230.201, 291.952], ['B', ' CE2', 231.883, 229.22, 293.575], ['B', ' CZ ', 232.785, 229.086, 292.542], ['B', ' OH ', 233.137, 227.832, 292.096]]
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[['B', ' N ', 225.349, 232.731, 292.617], ['B', ' CA ', 224.478, 232.28, 291.528], ['B', ' C ', 223.731, 233.452, 290.913], ['B', ' O ', 223.406, 234.436, 291.582], ['B', ' CB ', 223.521, 231.302, 292.217], ['B', ' CG ', 223.527, 231.719, 293.65], ['B', ' CD ', 224.924, 232.194, 293.921]]
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[['B', ' N ', 219.619, 261.846, 229.913], ['B', ' CA ', 220.594, 262.099, 228.864], ['B', ' C ', 220.274, 263.455, 228.242], ['B', ' O ', 219.137, 263.923, 228.292], ['B', ' CB ', 220.57, 260.978, 227.808], ['B', ' CG1', 220.957, 259.65, 228.43], ['B', ' CG2', 221.594, 261.199, 226.765], ['B', ' CD1', 220.711, 258.504, 227.515]]
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[['B', ' N ', 226.343, 273.381, 221.168], ['B', ' CA ', 227.291, 274.264, 221.853], ['B', ' C ', 226.665, 275.251, 222.828], ['B', ' O ', 227.409, 275.844, 223.615], ['B', ' CB ', 228.132, 275.058, 220.838], ['B', ' CG ', 227.284, 275.945, 219.917], ['B', ' ND2', 227.93, 276.701, 219.015], ['B', ' OD1', 226.055, 275.951, 220.017]]
[['B', ' N ', 225.35, 275.474, 222.807], ['B', ' CA ', 224.747, 276.565, 223.563], ['B', ' C ', 223.714, 276.111, 224.584], ['B', ' O ', 223.836, 276.451, 225.766], ['B', ' CB ', 224.12, 277.56, 222.581], ['B', ' CG2', 223.619, 278.78, 223.319], ['B', ' OG1', 225.109, 277.965, 221.629]]
[['B', ' N ', 222.696, 275.355, 224.168], ['B', ' CA ', 221.591, 274.971, 225.04], ['B', ' C ', 221.231, 273.51, 224.803], ['B', ' O ', 221.37, 272.996, 223.691], ['B', ' CB ', 220.365, 275.86, 224.811], ['B', ' OG ', 219.356, 275.581, 225.76]]
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[['B', ' N ', 218.711, 269.873, 225.993], ['B', ' CA ', 217.36, 269.432, 226.335], ['B', ' C ', 217.369, 267.972, 226.768], ['B', ' O ', 217.639, 267.09, 225.954], ['B', ' CB ', 216.416, 269.618, 225.147], ['B', ' CG ', 216.641, 270.891, 224.351], ['B', ' CD ', 216.618, 272.145, 225.208], ['B', ' NE2', 215.67, 272.219, 226.132], ['B', ' OE1', 217.456, 273.031, 225.046]]
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[['B', ' N ', 216.557, 264.089, 228.098], ['B', ' CA ', 215.896, 262.981, 227.407], ['B', ' C ', 215.643, 261.802, 228.342], ['B', ' O ', 216.053, 260.677, 228.057], ['B', ' CB ', 216.706, 262.52, 226.199]]
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[['B', ' N ', 214.866, 258.6, 230.222], ['B', ' CA ', 214.796, 257.357, 229.446], ['B', ' C ', 213.905, 256.317, 230.123], ['B', ' O ', 214.353, 255.528, 230.949], ['B', ' CB ', 216.191, 256.776, 229.266], ['B', ' CG ', 217.151, 257.04, 228.122], ['B', ' CD1', 218.388, 256.24, 228.439], ['B', ' CD2', 216.571, 256.613, 226.799]]
[['B', ' N ', 212.643, 256.262, 229.719], ['B', ' CA ', 211.801, 255.171, 230.185], ['B', ' C ', 210.684, 254.902, 229.183], ['B', ' O ', 210.445, 255.68, 228.258], ['B', ' CB ', 211.251, 255.456, 231.588], ['B', ' CG ', 210.134, 256.465, 231.668], ['B', ' CD1', 208.822, 256.085, 231.449], ['B', ' CD2', 210.385, 257.784, 232.007], ['B', ' CE1', 207.803, 256.982, 231.531], ['B', ' CE2', 209.366, 258.69, 232.094], ['B', ' CZ ', 208.076, 258.28, 231.853], ['B', ' OH ', 207.038, 259.163, 231.937]]
[['B', ' N ', 209.993, 253.78, 229.385], ['B', ' CA ', 209.014, 253.244, 228.447], ['B', ' C ', 207.617, 253.34, 229.042], ['B', ' O ', 207.431, 253.726, 230.197], ['B', ' CB ', 209.325, 251.782, 228.094], ['B', ' CG ', 208.968, 250.803, 229.207], ['B', ' CD ', 209.388, 249.381, 228.902], ['B', ' NE2', 209.169, 248.485, 229.855], ['B', ' OE1', 209.908, 249.091, 227.826]]
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[['B', ' N ', 204.291, 260.331, 230.268], ['B', ' CA ', 205.311, 261.256, 230.754], ['B', ' C ', 204.619, 262.194, 231.733], ['B', ' O ', 204.113, 263.251, 231.355], ['B', ' CB ', 205.964, 262.036, 229.629], ['B', ' SG ', 206.934, 263.447, 230.21]]
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[['B', ' N ', 205.983, 261.904, 235.323], ['B', ' CA ', 206.787, 261.753, 236.523], ['B', ' C ', 207.963, 262.717, 236.571], ['B', ' O ', 208.771, 262.645, 237.501], ['B', ' CB ', 207.277, 260.31, 236.64], ['B', ' CG ', 206.147, 259.29, 236.67], ['B', ' CD ', 206.636, 257.857, 236.78], ['B', ' OE1', 207.805, 257.647, 237.162], ['B', ' OE2', 205.844, 256.938, 236.488]]
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[['B', ' N ', 209.878, 266.318, 237.217], ['B', ' CA ', 209.694, 267.425, 238.164], ['B', ' C ', 209.488, 268.775, 237.481], ['B', ' O ', 209.441, 268.832, 236.253], ['B', ' CB ', 211.0, 267.419, 238.958], ['B', ' CG ', 212.002, 266.897, 238.0], ['B', ' CD ', 211.283, 265.874, 237.165]]
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[['B', ' N ', 207.259, 266.28, 224.94], ['B', ' CA ', 207.055, 265.345, 223.846], ['B', ' C ', 206.945, 263.951, 224.445], ['B', ' O ', 207.132, 263.761, 225.648], ['B', ' CB ', 208.196, 265.466, 222.833], ['B', ' CG ', 207.919, 264.816, 221.516], ['B', ' CD1', 206.835, 265.2, 220.754], ['B', ' CD2', 208.763, 263.842, 221.026], ['B', ' CE1', 206.588, 264.607, 219.543], ['B', ' CE2', 208.524, 263.25, 219.818], ['B', ' CZ ', 207.437, 263.631, 219.074]]
[['B', ' N ', 206.633, 262.966, 223.61], ['B', ' CA ', 206.531, 261.585, 224.079], ['B', ' C ', 207.129, 260.668, 223.02], ['B', ' O ', 206.436, 260.239, 222.095], ['B', ' CB ', 205.09, 261.203, 224.392], ['B', ' CG ', 204.941, 259.846, 225.064], ['B', ' CD ', 205.873, 259.66, 226.25], ['B', ' NE2', 206.289, 258.423, 226.486], ['B', ' OE1', 206.215, 260.611, 226.943]]
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[['B', ' N ', 209.44, 257.078, 222.005], ['B', ' CA ', 209.352, 255.68, 222.386], ['B', ' C ', 210.482, 255.257, 223.304], ['B', ' O ', 210.529, 254.094, 223.708], ['B', ' CB ', 209.34, 254.79, 221.144], ['B', ' CG ', 208.074, 254.91, 220.325], ['B', ' CD ', 207.792, 253.63, 219.575], ['B', ' NE ', 208.08, 252.455, 220.388], ['B', ' CZ ', 208.913, 251.486, 220.024], ['B', ' NH1', 209.545, 251.556, 218.861], ['B', ' NH2', 209.116, 250.449, 220.825]]
[['B', ' N ', 211.392, 256.167, 223.642], ['B', ' CA ', 212.475, 255.858, 224.565], ['B', ' C ', 212.465, 256.781, 225.774], ['B', ' O ', 213.428, 256.793, 226.539], ['B', ' CB ', 213.832, 255.938, 223.868]]
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[['B', ' N ', 212.258, 266.565, 226.791], ['B', ' CA ', 211.879, 267.859, 227.339], ['B', ' C ', 212.749, 268.909, 226.673], ['B', ' O ', 213.942, 269.013, 226.967], ['B', ' CB ', 212.049, 267.91, 228.858], ['B', ' CG1', 211.207, 266.842, 229.543], ['B', ' CG2', 211.652, 269.272, 229.361], ['B', ' CD1', 209.746, 266.996, 229.301]]
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[['B', ' N ', 206.919, 268.37, 211.245], ['B', ' CA ', 206.38, 267.337, 210.365], ['B', ' C ', 207.416, 266.839, 209.365], ['B', ' O ', 207.482, 265.638, 209.08], ['B', ' CB ', 205.15, 267.87, 209.639], ['B', ' CG ', 203.889, 267.711, 210.451], ['B', ' ND2', 203.195, 268.822, 210.69], ['B', ' OD1', 203.545, 266.605, 210.862]]
[['B', ' N ', 208.219, 267.739, 208.81], ['B', ' CA ', 209.173, 267.34, 207.789], ['B', ' C ', 210.272, 266.466, 208.385], ['B', ' O ', 210.495, 266.439, 209.598], ['B', ' CB ', 209.779, 268.568, 207.118], ['B', ' CG ', 208.754, 269.372, 206.353], ['B', ' ND2', 208.196, 268.775, 205.309], ['B', ' OD1', 208.464, 270.516, 206.695]]
[['B', ' N ', 210.961, 265.74, 207.51], ['B', ' CA ', 211.988, 264.792, 207.912], ['B', ' C ', 213.311, 265.121, 207.235], ['B', ' O ', 213.346, 265.549, 206.078], ['B', ' CB ', 211.582, 263.366, 207.561], ['B', ' OG ', 210.303, 263.062, 208.08]]
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[['B', ' N ', 217.706, 263.746, 207.137], ['B', ' CA ', 218.749, 262.838, 207.593], ['B', ' C ', 219.283, 263.34, 208.921], ['B', ' O ', 219.707, 264.492, 209.029], ['B', ' CB ', 219.872, 262.764, 206.566], ['B', ' CG ', 221.095, 262.023, 207.055], ['B', ' CD ', 222.119, 262.943, 207.689], ['B', ' OE1', 222.642, 262.595, 208.768], ['B', ' OE2', 222.396, 264.016, 207.112]]
[['B', ' N ', 219.277, 262.483, 209.935], ['B', ' CA ', 219.343, 263.018, 211.285], ['B', ' C ', 220.776, 263.151, 211.77], ['B', ' O ', 221.679, 262.43, 211.34], ['B', ' CB ', 218.557, 262.178, 212.284], ['B', ' SG ', 219.09, 260.507, 212.637]]
[['B', ' N ', 220.959, 264.079, 212.702], ['B', ' CA ', 222.259, 264.552, 213.145], ['B', ' C ', 222.634, 264.046, 214.531], ['B', ' O ', 223.817, 263.84, 214.807], ['B', ' CB ', 222.255, 266.084, 213.109], ['B', ' CG ', 223.611, 266.685, 213.347], ['B', ' OD1', 224.474, 266.581, 212.453], ['B', ' OD2', 223.793, 267.312, 214.407]]
[['B', ' N ', 221.655, 263.838, 215.413], ['B', ' CA ', 221.894, 263.329, 216.754], ['B', ' C ', 220.961, 262.149, 216.999], ['B', ' O ', 219.74, 262.304, 216.924], ['B', ' CB ', 221.678, 264.405, 217.831], ['B', ' CG1', 222.585, 265.604, 217.579], ['B', ' CG2', 221.932, 263.838, 219.206], ['B', ' CD1', 222.075, 266.88, 218.201]]
[['B', ' N ', 221.473, 260.955, 217.3], ['B', ' CA ', 220.603, 259.783, 217.475], ['B', ' C ', 219.979, 259.762, 218.862], ['B', ' O ', 220.69, 259.76, 219.868], ['B', ' CB ', 221.563, 258.606, 217.28], ['B', ' CG ', 222.791, 259.198, 216.669], ['B', ' CD ', 222.883, 260.561, 217.244]]
[['B', ' N ', 218.649, 259.723, 218.917], ['B', ' CA ', 217.944, 259.553, 220.182], ['B', ' C ', 217.498, 258.106, 220.319], ['B', ' O ', 217.903, 257.411, 221.255], ['B', ' CB ', 216.742, 260.501, 220.3], ['B', ' CG1', 217.199, 261.951, 220.27], ['B', ' CG2', 215.99, 260.232, 221.578], ['B', ' CD1', 216.062, 262.922, 220.372]]
[['B', ' N ', 216.66, 257.641, 219.397], ['B', ' CA ', 216.233, 256.256, 219.423], ['B', ' C ', 214.858, 255.997, 218.843], ['B', ' O ', 213.962, 256.833, 218.962]]
[['B', ' N ', 214.691, 254.838, 218.204], ['B', ' CA ', 213.406, 254.392, 217.664], ['B', ' C ', 212.921, 255.301, 216.538], ['B', ' O ', 211.753, 255.679, 216.47], ['B', ' CB ', 212.354, 254.279, 218.766]]
[['B', ' N ', 213.834, 255.645, 215.642], ['B', ' CA ', 213.515, 256.435, 214.47], ['B', ' C ', 213.574, 257.925, 214.687], ['B', ' O ', 213.529, 258.693, 213.725]]
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[['B', ' N ', 215.371, 261.501, 215.913], ['B', ' CA ', 216.683, 262.127, 215.988], ['B', ' C ', 216.486, 263.613, 216.261], ['B', ' O ', 215.356, 264.093, 216.368], ['B', ' CB ', 217.47, 261.905, 214.7], ['B', ' SG ', 218.313, 260.309, 214.501]]
[['B', ' N ', 217.589, 264.355, 216.359], ['B', ' CA ', 217.489, 265.767, 216.702], ['B', ' C ', 218.6, 266.562, 216.034], ['B', ' O ', 219.689, 266.043, 215.783], ['B', ' CB ', 217.546, 265.971, 218.215]]
[['B', ' N ', 218.316, 267.835, 215.765], ['B', ' CA ', 219.284, 268.725, 215.138], ['B', ' C ', 218.903, 270.167, 215.435], ['B', ' O ', 217.794, 270.46, 215.885], ['B', ' CB ', 219.376, 268.493, 213.631], ['B', ' OG ', 220.46, 269.222, 213.08]]
[['B', ' N ', 219.841, 271.068, 215.156], ['B', ' CA ', 219.786, 272.45, 215.61], ['B', ' C ', 219.315, 273.433, 214.543], ['B', ' O ', 219.233, 274.631, 214.824], ['B', ' CB ', 221.172, 272.86, 216.124], ['B', ' CG ', 221.276, 274.259, 216.681], ['B', ' CD1', 220.388, 274.723, 217.638], ['B', ' CD2', 222.269, 275.121, 216.241], ['B', ' CE1', 220.489, 276.005, 218.143], ['B', ' CE2', 222.378, 276.403, 216.738], ['B', ' CZ ', 221.487, 276.84, 217.688], ['B', ' OH ', 221.597, 278.119, 218.182]]
[['B', ' N ', 218.971, 272.971, 213.344], ['B', ' CA ', 218.802, 273.906, 212.242], ['B', ' C ', 217.555, 274.765, 212.447], ['B', ' O ', 216.781, 274.585, 213.391], ['B', ' CB ', 218.747, 273.165, 210.904], ['B', ' CG ', 217.578, 272.209, 210.709], ['B', ' CD ', 216.321, 272.912, 210.218], ['B', ' NE2', 215.161, 272.369, 210.561], ['B', ' OE1', 216.397, 273.922, 209.523]]
[['B', ' N ', 217.375, 275.721, 211.543], ['B', ' CA ', 216.294, 276.694, 211.646], ['B', ' C ', 215.01, 276.185, 211.004], ['B', ' O ', 214.495, 275.131, 211.373], ['B', ' CB ', 216.681, 278.026, 210.985], ['B', ' CG2', 215.587, 279.058, 211.191], ['B', ' OG1', 217.897, 278.512, 211.564]]
[['B', ' N ', 216.042, 282.368, 217.038], ['B', ' CA ', 214.901, 281.462, 217.046], ['B', ' C ', 215.345, 280.016, 216.864], ['B', ' O ', 214.527, 279.098, 216.905], ['B', ' CB ', 213.905, 281.844, 215.951], ['B', ' OG ', 214.452, 281.614, 214.664]]
[['B', ' N ', 216.647, 279.819, 216.66], ['B', ' CA ', 217.19, 278.483, 216.459], ['B', ' C ', 216.969, 277.63, 217.7], ['B', ' O ', 217.594, 277.861, 218.738], ['B', ' CB ', 218.677, 278.554, 216.114], ['B', ' CG ', 218.96, 279.002, 214.69], ['B', ' CD ', 218.758, 280.491, 214.491], ['B', ' NE2', 219.557, 281.294, 215.181], ['B', ' OE1', 217.896, 280.914, 213.723]]
[['B', ' N ', 216.084, 276.642, 217.602], ['B', ' CA ', 215.695, 275.815, 218.735], ['B', ' C ', 215.863, 274.35, 218.368], ['B', ' O ', 215.505, 273.944, 217.259], ['B', ' CB ', 214.246, 276.096, 219.137], ['B', ' OG ', 214.082, 277.45, 219.516]]
[['B', ' N ', 216.404, 273.563, 219.299], ['B', ' CA ', 216.566, 272.133, 219.076], ['B', ' C ', 215.224, 271.513, 218.735], ['B', ' O ', 214.232, 271.717, 219.442], ['B', ' CB ', 217.188, 271.474, 220.316], ['B', ' CG1', 218.537, 272.097, 220.616], ['B', ' CG2', 217.367, 269.999, 220.097], ['B', ' CD1', 219.509, 271.914, 219.504]]
[['B', ' N ', 215.188, 270.747, 217.646], ['B', ' CA ', 213.969, 270.112, 217.171], ['B', ' C ', 214.172, 268.604, 217.166], ['B', ' O ', 215.293, 268.103, 217.22], ['B', ' CB ', 213.559, 270.604, 215.774], ['B', ' CG1', 214.765, 270.631, 214.843], ['B', ' CG2', 212.945, 271.978, 215.858], ['B', ' CD1', 214.383, 270.641, 213.398]]
[['B', ' N ', 213.058, 267.881, 217.093], ['B', ' CA ', 213.071, 266.426, 217.022], ['B', ' C ', 212.154, 265.995, 215.893], ['B', ' O ', 210.989, 266.399, 215.856], ['B', ' CB ', 212.625, 265.798, 218.344]]
[['B', ' N ', 212.671, 265.181, 214.983], ['B', ' CA ', 211.92, 264.678, 213.844], ['B', ' C ', 212.091, 263.168, 213.732], ['B', ' O ', 212.85, 262.55, 214.478], ['B', ' CB ', 212.373, 265.362, 212.558], ['B', ' CG ', 213.872, 265.478, 212.428], ['B', ' CD1', 214.662, 264.357, 212.28], ['B', ' CD2', 214.492, 266.712, 212.433], ['B', ' CE1', 216.02, 264.461, 212.155], ['B', ' CE2', 215.851, 266.823, 212.303], ['B', ' CZ ', 216.609, 265.693, 212.164], ['B', ' OH ', 217.972, 265.794, 212.038]]
[['B', ' N ', 211.382, 262.576, 212.778], ['B', ' CA ', 211.53, 261.166, 212.443], ['B', ' C ', 212.349, 261.076, 211.162], ['B', ' O ', 211.966, 261.639, 210.134], ['B', ' CB ', 210.163, 260.484, 212.312], ['B', ' CG2', 209.29, 261.12, 211.234], ['B', ' OG1', 210.335, 259.088, 212.048]]
[['B', ' N ', 213.492, 260.403, 211.231], ['B', ' CA ', 214.478, 260.539, 210.17], ['B', ' C ', 214.04, 259.815, 208.901], ['B', ' O ', 213.369, 258.782, 208.945], ['B', ' CB ', 215.837, 260.026, 210.633], ['B', ' CG ', 215.942, 258.542, 210.806], ['B', ' SD ', 217.681, 258.104, 210.801], ['B', ' CE ', 217.598, 256.333, 210.779]]
[['B', ' N ', 214.427, 260.38, 207.758], ['B', ' CA ', 214.038, 259.881, 206.448], ['B', ' C ', 215.261, 259.349, 205.721], ['B', ' O ', 216.336, 259.949, 205.768], ['B', ' CB ', 213.372, 260.966, 205.61], ['B', ' OG ', 213.142, 260.516, 204.286]]
[['B', ' N ', 215.077, 258.227, 205.042], ['B', ' CA ', 216.168, 257.357, 204.603], ['B', ' C ', 216.555, 257.594, 203.149], ['B', ' O ', 216.672, 256.651, 202.377], ['B', ' CB ', 215.757, 255.911, 204.829], ['B', ' CG ', 215.849, 255.439, 206.277], ['B', ' CD1', 214.781, 256.065, 207.129], ['B', ' CD2', 215.634, 253.97, 206.298]]
[['B', ' N ', 216.797, 258.838, 202.758], ['B', ' CA ', 217.146, 259.13, 201.381], ['B', ' C ', 215.957, 259.546, 200.538], ['B', ' O ', 214.8, 259.529, 200.963]]
[['B', ' N ', 216.257, 259.921, 199.299], ['B', ' CA ', 215.27, 260.487, 198.394], ['B', ' C ', 214.778, 259.44, 197.407], ['B', ' O ', 215.531, 258.566, 196.976], ['B', ' CB ', 215.846, 261.68, 197.635]]
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[['B', ' N ', 213.328, 257.411, 194.132], ['B', ' CA ', 213.756, 257.297, 192.745], ['B', ' C ', 212.996, 256.163, 192.083], ['B', ' O ', 212.868, 255.082, 192.662], ['B', ' CB ', 215.254, 257.04, 192.644], ['B', ' CG ', 215.783, 257.299, 191.259], ['B', ' ND2', 217.0, 256.841, 190.992], ['B', ' OD1', 215.103, 257.901, 190.429]]
[['B', ' N ', 212.503, 256.409, 190.873], ['B', ' CA ', 211.806, 255.4, 190.08], ['B', ' C ', 212.442, 255.389, 188.695], ['B', ' O ', 211.987, 256.09, 187.787], ['B', ' CB ', 210.311, 255.68, 190.016], ['B', ' OG ', 209.767, 255.82, 191.312]]
[['B', ' N ', 213.503, 254.595, 188.538], ['B', ' CA ', 214.117, 254.442, 187.229], ['B', ' C ', 213.104, 253.827, 186.281], ['B', ' O ', 212.435, 252.84, 186.608], ['B', ' CB ', 215.402, 253.609, 187.333], ['B', ' CG1', 216.408, 254.319, 188.208], ['B', ' CG2', 215.107, 252.249, 187.927]]
[['B', ' N ', 212.97, 254.423, 185.1], ['B', ' CA ', 211.907, 254.046, 184.175], ['B', ' C ', 212.243, 252.681, 183.59], ['B', ' O ', 212.72, 252.546, 182.462], ['B', ' CB ', 211.74, 255.095, 183.083]]
[['B', ' N ', 211.995, 251.648, 184.383], ['B', ' CA ', 212.228, 250.287, 183.928], ['B', ' C ', 211.198, 249.939, 182.863], ['B', ' O ', 209.996, 249.903, 183.14], ['B', ' CB ', 212.159, 249.315, 185.102], ['B', ' CG ', 212.16, 247.866, 184.685], ['B', ' CD1', 213.345, 247.17, 184.542], ['B', ' CD2', 210.978, 247.197, 184.433], ['B', ' CE1', 213.35, 245.858, 184.156], ['B', ' CE2', 210.977, 245.886, 184.042], ['B', ' CZ ', 212.162, 245.22, 183.906], ['B', ' OH ', 212.158, 243.906, 183.52]]
[['B', ' N ', 211.664, 249.699, 181.645], ['B', ' CA ', 210.832, 249.213, 180.558], ['B', ' C ', 211.418, 247.894, 180.077], ['B', ' O ', 212.523, 247.515, 180.467], ['B', ' CB ', 210.757, 250.24, 179.421], ['B', ' OG ', 209.727, 249.922, 178.505]]
[['B', ' N ', 210.672, 247.171, 179.241], ['B', ' CA ', 211.18, 245.881, 178.794], ['B', ' C ', 212.282, 245.998, 177.751], ['B', ' O ', 213.03, 245.035, 177.566], ['B', ' CB ', 210.054, 244.993, 178.253], ['B', ' CG ', 209.392, 245.559, 177.02], ['B', ' ND2', 208.332, 244.903, 176.57], ['B', ' OD1', 209.829, 246.561, 176.468]]
[['B', ' N ', 212.4, 247.136, 177.051], ['B', ' CA ', 213.534, 247.363, 176.154], ['B', ' C ', 213.978, 248.823, 176.267], ['B', ' O ', 213.52, 249.7, 175.537], ['B', ' CB ', 213.185, 246.987, 174.722], ['B', ' CG ', 212.063, 247.814, 174.167], ['B', ' ND2', 212.02, 247.944, 172.852], ['B', ' OD1', 211.241, 248.335, 174.91]]
[['B', ' N ', 214.885, 249.087, 177.203], ['B', ' CA ', 215.576, 250.372, 177.271], ['B', ' C ', 216.766, 250.225, 178.198], ['B', ' O ', 216.579, 249.995, 179.394], ['B', ' CB ', 214.653, 251.473, 177.767], ['B', ' OG ', 213.668, 251.781, 176.8]]
[['B', ' N ', 217.973, 250.374, 177.671], ['B', ' CA ', 219.18, 250.313, 178.484], ['B', ' C ', 219.799, 251.702, 178.528], ['B', ' O ', 219.612, 252.515, 177.619], ['B', ' CB ', 220.18, 249.272, 177.942], ['B', ' CG1', 221.308, 249.036, 178.939], ['B', ' CG2', 220.754, 249.726, 176.623], ['B', ' CD1', 222.134, 247.823, 178.632]]
[['B', ' N ', 220.521, 251.982, 179.607], ['B', ' CA ', 221.219, 253.248, 179.786], ['B', ' C ', 222.712, 252.98, 179.816], ['B', ' O ', 223.175, 252.147, 180.599], ['B', ' CB ', 220.777, 253.944, 181.069]]
[['B', ' N ', 223.463, 253.69, 178.982], ['B', ' CA ', 224.884, 253.444, 178.78], ['B', ' C ', 225.624, 254.758, 178.974], ['B', ' O ', 225.234, 255.766, 178.385], ['B', ' CB ', 225.183, 252.869, 177.386], ['B', ' CG1', 224.428, 251.567, 177.18], ['B', ' CG2', 226.646, 252.606, 177.234], ['B', ' CD1', 224.618, 250.993, 175.817]]
[['B', ' N ', 226.688, 254.795, 179.767], ['B', ' CA ', 227.36, 256.063, 180.048], ['B', ' C ', 228.044, 256.648, 178.826], ['B', ' O ', 228.418, 255.939, 177.892], ['B', ' CB ', 228.389, 255.68, 181.112], ['B', ' CG ', 227.838, 254.463, 181.72], ['B', ' CD ', 227.208, 253.716, 180.611]]
[['B', ' N ', 228.208, 257.968, 178.847], ['B', ' CA ', 228.941, 258.669, 177.811], ['B', ' C ', 230.305, 259.144, 178.294], ['B', ' O ', 231.262, 259.138, 177.512], ['B', ' CB ', 228.118, 259.859, 177.284], ['B', ' CG1', 226.786, 259.39, 176.728], ['B', ' CG2', 228.863, 260.552, 176.177], ['B', ' CD1', 226.919, 258.453, 175.582]]
[['B', ' N ', 230.421, 259.552, 179.555], ['B', ' CA ', 231.633, 260.111, 180.127], ['B', ' C ', 231.919, 259.391, 181.436], ['B', ' O ', 231.101, 258.613, 181.925], ['B', ' CB ', 231.48, 261.624, 180.341], ['B', ' CG ', 232.774, 262.298, 180.739], ['B', ' ND2', 232.73, 263.615, 180.911], ['B', ' OD1', 233.802, 261.645, 180.891]]
[['B', ' N ', 233.093, 259.64, 182.009], ['B', ' CA ', 233.494, 258.954, 183.227], ['B', ' C ', 234.247, 259.906, 184.137], ['B', ' O ', 234.779, 260.925, 183.699], ['B', ' CB ', 234.366, 257.736, 182.934], ['B', ' CG ', 235.608, 258.044, 182.147], ['B', ' CD1', 235.569, 258.133, 180.77], ['B', ' CD2', 236.818, 258.219, 182.784], ['B', ' CE1', 236.704, 258.401, 180.053], ['B', ' CE2', 237.955, 258.485, 182.066], ['B', ' CZ ', 237.897, 258.577, 180.702]]
[['B', ' N ', 234.282, 259.561, 185.421], ['B', ' CA ', 235.002, 260.333, 186.422], ['B', ' C ', 235.847, 259.405, 187.275], ['B', ' O ', 235.39, 258.335, 187.68], ['B', ' CB ', 234.058, 261.12, 187.332], ['B', ' CG2', 233.061, 261.921, 186.519], ['B', ' OG1', 233.355, 260.213, 188.186]]
[['B', ' N ', 237.069, 259.827, 187.553], ['B', ' CA ', 237.996, 259.09, 188.4], ['B', ' C ', 237.945, 259.686, 189.795], ['B', ' O ', 238.0, 260.908, 189.961], ['B', ' CB ', 239.421, 259.148, 187.827], ['B', ' CG1', 239.443, 258.595, 186.406], ['B', ' CG2', 240.374, 258.388, 188.705], ['B', ' CD1', 239.357, 257.099, 186.33]]
[['B', ' N ', 237.827, 258.831, 190.803], ['B', ' CA ', 237.72, 259.286, 192.178], ['B', ' C ', 238.74, 258.565, 193.041], ['B', ' O ', 238.981, 257.37, 192.877], ['B', ' CB ', 236.324, 259.056, 192.734], ['B', ' OG ', 236.158, 257.705, 193.108]]
[['B', ' N ', 239.326, 259.307, 193.973], ['B', ' CA ', 240.425, 258.819, 194.801], ['B', ' C ', 239.96, 258.961, 196.247], ['B', ' O ', 240.138, 260.009, 196.873], ['B', ' CB ', 241.723, 259.59, 194.557], ['B', ' CG1', 242.809, 259.108, 195.487], ['B', ' CG2', 242.15, 259.47, 193.109]]
[['B', ' N ', 239.36, 257.909, 196.786], ['B', ' CA ', 238.811, 257.946, 198.134], ['B', ' C ', 239.907, 257.63, 199.145], ['B', ' O ', 241.1, 257.687, 198.844], ['B', ' CB ', 237.631, 256.989, 198.26], ['B', ' CG2', 236.472, 257.458, 197.4], ['B', ' OG1', 238.031, 255.68, 197.844]]
[['B', ' N ', 239.511, 257.321, 200.375], ['B', ' CA ', 240.46, 257.089, 201.45], ['B', ' C ', 239.865, 256.077, 202.415], ['B', ' O ', 238.654, 256.057, 202.64], ['B', ' CB ', 240.783, 258.395, 202.182], ['B', ' CG2', 241.889, 258.196, 203.174], ['B', ' OG1', 241.203, 259.376, 201.233]]
[['B', ' N ', 240.72, 255.231, 202.974], ['B', ' CA ', 240.313, 254.32, 204.03], ['B', ' C ', 241.376, 254.312, 205.11], ['B', ' O ', 242.571, 254.32, 204.812], ['B', ' CB ', 240.096, 252.901, 203.511], ['B', ' CG ', 239.032, 252.146, 204.273], ['B', ' CD ', 239.066, 250.665, 204.006], ['B', ' OE1', 239.357, 250.276, 202.859], ['B', ' OE2', 238.797, 249.888, 204.942]]
[['B', ' N ', 240.939, 254.288, 206.363], ['B', ' CA ', 241.842, 254.36, 207.502], ['B', ' C ', 241.547, 253.189, 208.421], ['B', ' O ', 240.389, 252.96, 208.786], ['B', ' CB ', 241.7, 255.689, 208.253], ['B', ' CG1', 242.343, 256.811, 207.452], ['B', ' CG2', 242.33, 255.599, 209.608], ['B', ' CD1', 242.084, 258.157, 208.022]]
[['B', ' N ', 242.585, 252.449, 208.79], ['B', ' CA ', 242.473, 251.314, 209.685], ['B', ' C ', 243.532, 251.417, 210.769], ['B', ' O ', 244.635, 251.902, 210.515], ['B', ' CB ', 242.654, 249.99, 208.93], ['B', ' CG ', 241.676, 249.668, 207.802], ['B', ' CD1', 242.364, 248.896, 206.705], ['B', ' CD2', 240.503, 248.88, 208.328]]
[['B', ' N ', 243.227, 250.975, 211.983], ['B', ' CA ', 244.251, 250.878, 213.021], ['B', ' C ', 244.934, 249.523, 212.986], ['B', ' O ', 244.331, 248.501, 212.664], ['B', ' CB ', 243.44, 251.054, 214.308], ['B', ' CG ', 242.14, 250.443, 213.977], ['B', ' CD ', 241.888, 250.688, 212.513]]
[['B', ' N ', 246.222, 249.522, 213.321], ['B', ' CA ', 247.03, 248.33, 213.101], ['B', ' C ', 247.631, 247.798, 214.395], ['B', ' O ', 247.819, 246.586, 214.54], ['B', ' CB ', 248.132, 248.617, 212.069], ['B', ' CG1', 248.953, 247.386, 211.815], ['B', ' CG2', 247.52, 249.083, 210.778]]
[['B', ' N ', 247.913, 248.672, 215.357], ['B', ' CA ', 248.593, 248.197, 216.553], ['B', ' C ', 248.424, 249.19, 217.688], ['B', ' O ', 248.42, 250.401, 217.471], ['B', ' CB ', 250.078, 247.967, 216.284], ['B', ' OG ', 250.767, 249.199, 216.24]]
[['B', ' N ', 248.309, 248.664, 218.9], ['B', ' CA ', 248.179, 249.485, 220.093], ['B', ' C ', 249.564, 249.949, 220.533], ['B', ' O ', 250.543, 249.809, 219.797], ['B', ' CB ', 247.486, 248.711, 221.215], ['B', ' CG ', 246.362, 247.815, 220.789], ['B', ' SD ', 245.243, 247.554, 222.165], ['B', ' CE ', 246.16, 246.339, 223.091]]
[['B', ' N ', 249.661, 250.5, 221.736], ['B', ' CA ', 250.936, 250.855, 222.334], ['B', ' C ', 251.288, 249.803, 223.373], ['B', ' O ', 250.434, 249.388, 224.162], ['B', ' CB ', 250.899, 252.256, 222.951], ['B', ' CG2', 249.913, 252.331, 224.099], ['B', ' OG1', 252.206, 252.609, 223.415]]
[['B', ' N ', 252.53, 249.341, 223.334], ['B', ' CA ', 252.963, 248.262, 224.201], ['B', ' C ', 253.033, 248.745, 225.643], ['B', ' O ', 253.219, 249.931, 225.913], ['B', ' CB ', 254.32, 247.744, 223.733], ['B', ' CG ', 254.258, 247.104, 222.356], ['B', ' CD ', 255.631, 246.797, 221.791], ['B', ' CE ', 256.29, 245.656, 222.524], ['B', ' NZ ', 257.581, 245.288, 221.891]]
[['B', ' N ', 252.862, 247.815, 226.575], ['B', ' CA ', 252.898, 248.158, 227.987], ['B', ' C ', 253.267, 246.93, 228.797], ['B', ' O ', 253.163, 245.796, 228.328], ['B', ' CB ', 251.561, 248.706, 228.48], ['B', ' CG2', 250.495, 247.648, 228.356], ['B', ' OG1', 251.681, 249.07, 229.858]]
[['B', ' N ', 253.701, 247.173, 230.029], ['B', ' CA ', 254.055, 246.094, 230.939], ['B', ' C ', 254.041, 246.65, 232.351], ['B', ' O ', 254.725, 247.635, 232.633], ['B', ' CB ', 255.427, 245.509, 230.605], ['B', ' OG ', 255.732, 244.421, 231.457]]
[['B', ' N ', 253.265, 246.023, 233.227], ['B', ' CA ', 253.049, 246.517, 234.578], ['B', ' C ', 253.636, 245.516, 235.556], ['B', ' O ', 253.27, 244.336, 235.54], ['B', ' CB ', 251.56, 246.751, 234.865], ['B', ' CG1', 251.386, 247.493, 236.174], ['B', ' CG2', 250.932, 247.528, 233.731]]
[['B', ' N ', 254.539, 245.991, 236.407], ['B', ' CA ', 255.079, 245.166, 237.474], ['B', ' C ', 253.976, 244.805, 238.461], ['B', ' O ', 253.009, 245.547, 238.641], ['B', ' CB ', 256.205, 245.913, 238.183], ['B', ' CG ', 256.942, 245.055, 239.176], ['B', ' OD1', 256.619, 243.857, 239.296], ['B', ' OD2', 257.856, 245.582, 239.839]]
[['B', ' N ', 254.119, 243.646, 239.101], ['B', ' CA ', 253.088, 243.19, 240.027], ['B', ' C ', 253.241, 243.859, 241.38], ['B', ' O ', 252.407, 244.67, 241.795], ['B', ' CB ', 253.205, 241.687, 240.244], ['B', ' SG ', 253.143, 240.637, 238.821]]
[['B', ' N ', 254.325, 243.532, 242.069], ['B', ' CA ', 254.514, 243.912, 243.454], ['B', ' C ', 254.95, 245.353, 243.634], ['B', ' O ', 254.794, 245.881, 244.736], ['B', ' CB ', 255.528, 242.986, 244.114], ['B', ' CG2', 256.864, 243.094, 243.434], ['B', ' OG1', 255.658, 243.333, 245.496]]
[['B', ' N ', 255.482, 246.011, 242.61], ['B', ' CA ', 255.679, 247.445, 242.741], ['B', ' C ', 254.362, 248.201, 242.705], ['B', ' O ', 254.269, 249.287, 243.282], ['B', ' CB ', 256.61, 247.985, 241.651], ['B', ' CG ', 256.931, 249.467, 241.836], ['B', ' SD ', 258.026, 250.24, 240.629], ['B', ' CE ', 259.597, 249.528, 241.063]]
[['B', ' N ', 253.333, 247.637, 242.08], ['B', ' CA ', 252.01, 248.242, 242.079], ['B', ' C ', 251.205, 247.864, 243.313], ['B', ' O ', 250.637, 248.735, 243.975], ['B', ' CB ', 251.245, 247.833, 240.817], ['B', ' CG ', 249.853, 248.399, 240.757], ['B', ' CD1', 249.643, 249.76, 240.698], ['B', ' CD2', 248.749, 247.572, 240.771], ['B', ' CE1', 248.378, 250.277, 240.647], ['B', ' CE2', 247.481, 248.087, 240.722], ['B', ' CZ ', 247.304, 249.437, 240.661], ['B', ' OH ', 246.04, 249.957, 240.608]]
[['B', ' N ', 251.152, 246.573, 243.638], ['B', ' CA ', 250.37, 246.126, 244.785], ['B', ' C ', 250.988, 246.619, 246.083], ['B', ' O ', 250.292, 247.134, 246.963], ['B', ' CB ', 250.24, 244.597, 244.78], ['B', ' CG1', 249.657, 244.125, 243.457], ['B', ' CG2', 249.381, 244.149, 245.922], ['B', ' CD1', 248.376, 244.798, 243.108]]
[['B', ' N ', 252.3, 246.464, 246.228], ['B', ' CA ', 253.0, 246.776, 247.471], ['B', ' C ', 254.098, 247.779, 247.148], ['B', ' O ', 255.249, 247.397, 246.935], ['B', ' CB ', 253.577, 245.527, 248.072], ['B', ' SG ', 252.486, 244.115, 247.982]]
[['B', ' N ', 253.757, 249.06, 247.128], ['B', ' CA ', 254.745, 250.032, 246.715], ['B', ' C ', 255.891, 250.146, 247.693], ['B', ' O ', 255.767, 250.795, 248.735]]
[['B', ' N ', 257.021, 249.542, 247.338], ['B', ' CA ', 258.258, 249.576, 248.12], ['B', ' C ', 257.987, 249.317, 249.602], ['B', ' O ', 258.106, 250.193, 250.457], ['B', ' CB ', 258.998, 250.897, 247.911], ['B', ' CG ', 260.194, 251.046, 248.825], ['B', ' OD1', 261.113, 250.207, 248.742], ['B', ' OD2', 260.207, 251.995, 249.634]]
[['B', ' N ', 257.57, 248.091, 249.893], ['B', ' CA ', 257.355, 247.678, 251.268], ['B', ' C ', 257.76, 246.222, 251.413], ['B', ' O ', 257.753, 245.454, 250.45], ['B', ' CB ', 255.9, 247.873, 251.699], ['B', ' OG ', 255.083, 246.837, 251.195]]
[['B', ' N ', 258.122, 245.847, 252.64], ['B', ' CA ', 258.463, 244.469, 252.952], ['B', ' C ', 257.407, 243.753, 253.773], ['B', ' O ', 257.399, 242.519, 253.785], ['B', ' CB ', 259.803, 244.396, 253.699], ['B', ' CG2', 259.642, 244.866, 255.135], ['B', ' OG1', 260.278, 243.045, 253.693]]
[['B', ' N ', 256.515, 244.478, 254.441], ['B', ' CA ', 255.382, 243.86, 255.119], ['B', ' C ', 254.32, 243.44, 254.173], ['B', ' O ', 253.257, 242.996, 254.608], ['B', ' CB ', 254.798, 244.816, 256.16], ['B', ' CG ', 255.845, 245.554, 256.969], ['B', ' CD ', 255.237, 246.455, 258.022], ['B', ' OE1', 254.114, 246.162, 258.479], ['B', ' OE2', 255.882, 247.454, 258.399]]
[['B', ' N ', 254.569, 243.592, 252.874], ['B', ' CA ', 253.667, 243.099, 251.847], ['B', ' C ', 254.32, 241.978, 251.049], ['B', ' O ', 253.808, 241.593, 249.995], ['B', ' CB ', 253.227, 244.245, 250.934], ['B', ' SG ', 251.821, 243.872, 249.879]]
[['B', ' N ', 255.453, 241.461, 251.52], ['B', ' CA ', 256.009, 240.225, 250.983], ['B', ' C ', 255.314, 239.013, 251.581], ['B', ' O ', 254.871, 238.114, 250.855], ['B', ' CB ', 257.508, 240.157, 251.27], ['B', ' OG ', 258.046, 238.912, 250.863]]
[['B', ' N ', 255.231, 238.967, 252.909], ['B', ' CA ', 254.537, 237.873, 253.571], ['B', ' C ', 253.072, 237.843, 253.174], ['B', ' O ', 252.509, 236.774, 252.927], ['B', ' CB ', 254.669, 238.014, 255.086], ['B', ' CG ', 256.096, 238.23, 255.528], ['B', ' ND2', 256.851, 237.145, 255.637], ['B', ' OD1', 256.515, 239.36, 255.781]]
[['B', ' N ', 252.443, 239.006, 253.099], ['B', ' CA ', 251.018, 239.101, 252.844], ['B', ' C ', 250.682, 239.025, 251.366], ['B', ' O ', 249.53, 239.257, 250.996], ['B', ' CB ', 250.462, 240.392, 253.444], ['B', ' CG ', 250.238, 240.4, 254.957], ['B', ' CD1', 251.541, 240.433, 255.734], ['B', ' CD2', 249.373, 241.58, 255.336]]
[['B', ' N ', 251.657, 238.715, 250.516], ['B', ' CA ', 251.41, 238.513, 249.094], ['B', ' C ', 251.959, 237.205, 248.558], ['B', ' O ', 251.478, 236.74, 247.52], ['B', ' CB ', 251.995, 239.669, 248.273], ['B', ' CG ', 251.6, 239.734, 246.8], ['B', ' CD1', 250.094, 239.758, 246.666], ['B', ' CD2', 252.212, 240.948, 246.145]]
[['B', ' N ', 252.945, 236.595, 249.215], ['B', ' CA ', 253.317, 235.235, 248.855], ['B', ' C ', 252.199, 234.245, 249.141], ['B', ' O ', 252.212, 233.139, 248.591], ['B', ' CB ', 254.575, 234.814, 249.601], ['B', ' CG ', 255.845, 235.545, 249.192], ['B', ' CD1', 256.995, 235.123, 250.082], ['B', ' CD2', 256.161, 235.28, 247.733]]
[['B', ' N ', 251.245, 234.607, 250.001], ['B', ' CA ', 250.099, 233.742, 250.255], ['B', ' C ', 249.362, 233.438, 248.962], ['B', ' O ', 249.242, 232.278, 248.556], ['B', ' CB ', 249.16, 234.398, 251.264], ['B', ' CG ', 249.841, 234.997, 252.481], ['B', ' CD ', 250.667, 233.999, 253.271], ['B', ' NE2', 250.2, 233.673, 254.469], ['B', ' OE1', 251.719, 233.542, 252.824]]
[['B', ' N ', 248.869, 234.475, 248.294], ['B', ' CA ', 248.266, 234.297, 246.984], ['B', ' C ', 249.283, 233.679, 246.038], ['B', ' O ', 250.486, 233.924, 246.141], ['B', ' CB ', 247.777, 235.637, 246.441], ['B', ' CG ', 246.852, 236.37, 247.381], ['B', ' CD1', 245.513, 236.046, 247.461], ['B', ' CD2', 247.326, 237.384, 248.191], ['B', ' CE1', 244.675, 236.716, 248.317], ['B', ' CE2', 246.496, 238.054, 249.048], ['B', ' CZ ', 245.176, 237.72, 249.108], ['B', ' OH ', 244.352, 238.394, 249.97]]
[['B', ' N ', 248.8, 232.862, 245.116], ['B', ' CA ', 249.708, 232.031, 244.359], ['B', ' C ', 250.324, 232.708, 243.157], ['B', ' O ', 250.902, 233.792, 243.265]]
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[['B', ' N ', 258.94, 243.314, 187.136], ['B', ' CA ', 259.007, 243.503, 185.696], ['B', ' C ', 258.52, 244.903, 185.361], ['B', ' O ', 257.393, 245.274, 185.701], ['B', ' CB ', 258.173, 242.457, 184.961], ['B', ' CG ', 258.4, 241.002, 185.349], ['B', ' CD1', 257.362, 240.137, 184.678], ['B', ' CD2', 259.786, 240.566, 184.961]]
[['B', ' N ', 259.372, 245.669, 184.695], ['B', ' CA ', 259.032, 247.016, 184.27], ['B', ' C ', 257.92, 246.996, 183.23], ['B', ' O ', 257.71, 245.995, 182.545], ['B', ' CB ', 260.278, 247.671, 183.703], ['B', ' CG ', 260.77, 246.944, 182.488], ['B', ' CD ', 262.23, 247.156, 182.244], ['B', ' NE2', 262.956, 246.067, 182.071], ['B', ' OE1', 262.712, 248.28, 182.229]]
[['B', ' N ', 257.195, 248.106, 183.13], ['B', ' CA ', 256.171, 248.314, 182.105], ['B', ' C ', 255.829, 249.799, 182.1], ['B', ' O ', 255.676, 250.389, 183.176], ['B', ' CB ', 254.934, 247.435, 182.354], ['B', ' CG1', 253.901, 247.615, 181.248], ['B', ' CG2', 254.321, 247.725, 183.698], ['B', ' CD1', 252.954, 246.461, 181.109]]
[['B', ' N ', 255.739, 250.454, 180.942], ['B', ' CA ', 255.463, 251.897, 180.939], ['B', ' C ', 254.121, 252.184, 181.591], ['B', ' O ', 253.162, 251.436, 181.414], ['B', ' CB ', 255.458, 252.264, 179.453], ['B', ' CG ', 255.976, 251.103, 178.743], ['B', ' CD ', 255.803, 249.905, 179.584]]
[['B', ' N ', 254.057, 253.28, 182.346], ['B', ' CA ', 252.892, 253.51, 183.192], ['B', ' C ', 251.62, 253.654, 182.375], ['B', ' O ', 250.55, 253.205, 182.8], ['B', ' CB ', 253.088, 254.747, 184.055], ['B', ' CG ', 252.09, 254.864, 185.151], ['B', ' CD1', 252.294, 254.227, 186.351], ['B', ' CD2', 250.94, 255.594, 184.978], ['B', ' CE1', 251.379, 254.323, 187.361], ['B', ' CE2', 250.019, 255.689, 185.987], ['B', ' CZ ', 250.24, 255.054, 187.179]]
[['B', ' N ', 251.704, 254.31, 181.219], ['B', ' CA ', 250.52, 254.455, 180.385], ['B', ' C ', 249.916, 253.1, 180.077], ['B', ' O ', 248.71, 252.894, 180.245], ['B', ' CB ', 250.869, 255.194, 179.095]]
[['B', ' N ', 250.746, 252.147, 179.668], ['B', ' CA ', 250.243, 250.813, 179.386], ['B', ' C ', 249.759, 250.111, 180.641], ['B', ' O ', 248.843, 249.293, 180.563], ['B', ' CB ', 251.317, 249.978, 178.701], ['B', ' CG ', 251.634, 250.433, 177.305], ['B', ' SD ', 253.248, 249.851, 176.796], ['B', ' CE ', 252.96, 248.087, 176.8]]
[['B', ' N ', 250.346, 250.403, 181.798], ['B', ' CA ', 249.855, 249.798, 183.029], ['B', ' C ', 248.428, 250.235, 183.31], ['B', ' O ', 247.536, 249.403, 183.52], ['B', ' CB ', 250.76, 250.167, 184.197], ['B', ' CG ', 250.464, 249.389, 185.446], ['B', ' CD ', 251.002, 250.063, 186.68], ['B', ' NE2', 252.303, 249.961, 186.883], ['B', ' OE1', 250.259, 250.678, 187.441]]
[['B', ' N ', 248.186, 251.542, 183.298], ['B', ' CA ', 246.85, 252.075, 183.496], ['B', ' C ', 245.891, 251.661, 182.389], ['B', ' O ', 244.685, 251.565, 182.631], ['B', ' CB ', 246.9, 253.596, 183.605], ['B', ' CG ', 245.55, 254.234, 183.841], ['B', ' SD ', 244.958, 254.033, 185.526], ['B', ' CE ', 246.412, 254.508, 186.448]]
[['B', ' N ', 246.396, 251.397, 181.19], ['B', ' CA ', 245.563, 250.919, 180.099], ['B', ' C ', 245.186, 249.463, 180.216], ['B', ' O ', 244.075, 249.099, 179.847], ['B', ' CB ', 246.269, 251.118, 178.757]]
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[['B', ' N ', 244.964, 248.001, 183.03], ['B', ' CA ', 244.083, 247.915, 184.184], ['B', ' C ', 242.626, 248.185, 183.843], ['B', ' O ', 241.743, 247.635, 184.506], ['B', ' CB ', 244.534, 248.879, 185.274], ['B', ' CG ', 245.512, 248.251, 186.228], ['B', ' CD ', 246.161, 249.286, 187.091], ['B', ' NE ', 247.321, 248.769, 187.796], ['B', ' CZ ', 247.253, 247.934, 188.822], ['B', ' NH1', 246.079, 247.52, 189.261], ['B', ' NH2', 248.358, 247.516, 189.414]]
[['B', ' N ', 242.339, 249.02, 182.839], ['B', ' CA ', 240.957, 249.142, 182.387], ['B', ' C ', 240.453, 247.827, 181.831], ['B', ' O ', 239.341, 247.393, 182.149], ['B', ' CB ', 240.798, 250.22, 181.32], ['B', ' CG ', 240.792, 251.611, 181.85], ['B', ' CD1', 240.72, 251.852, 183.197], ['B', ' CD2', 240.761, 252.68, 180.986], ['B', ' CE1', 240.695, 253.131, 183.671], ['B', ' CE2', 240.723, 253.954, 181.46], ['B', ' CZ ', 240.689, 254.18, 182.8]]
[['B', ' N ', 241.26, 247.171, 181.007], ['B', ' CA ', 240.832, 245.939, 180.368], ['B', ' C ', 240.438, 244.883, 181.39], ['B', ' O ', 239.887, 243.845, 181.015], ['B', ' CB ', 241.95, 245.431, 179.463], ['B', ' CG ', 241.433, 244.798, 178.206], ['B', ' ND2', 242.342, 244.381, 177.341], ['B', ' OD1', 240.23, 244.7, 177.999]]
[['B', ' N ', 240.712, 245.127, 182.671], ['B', ' CA ', 240.2, 244.251, 183.707], ['B', ' C ', 238.771, 244.582, 184.093], ['B', ' O ', 237.912, 243.7, 184.146]]
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[['B', ' N ', 236.571, 246.155, 182.441], ['B', ' CA ', 235.648, 245.921, 181.349], ['B', ' C ', 235.848, 246.758, 180.105], ['B', ' O ', 235.579, 246.284, 179.001]]
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[['B', ' N ', 237.788, 248.917, 177.079], ['B', ' CA ', 238.905, 248.599, 176.203], ['B', ' C ', 240.065, 249.549, 176.476], ['B', ' O ', 240.042, 250.337, 177.423], ['B', ' CB ', 238.459, 248.656, 174.751], ['B', ' CG2', 237.335, 247.684, 174.519], ['B', ' OG1', 238.0, 249.974, 174.452]]
[['B', ' N ', 241.103, 249.481, 175.642], ['B', ' CA ', 242.296, 250.299, 175.815], ['B', ' C ', 242.277, 251.584, 175.003], ['B', ' O ', 242.847, 252.59, 175.442], ['B', ' CB ', 243.539, 249.496, 175.44], ['B', ' CG ', 243.547, 248.096, 175.989], ['B', ' CD ', 244.39, 247.169, 175.152], ['B', ' NE2', 244.652, 245.976, 175.665], ['B', ' OE1', 244.802, 247.522, 174.053]]
[['B', ' N ', 241.657, 251.572, 173.824], ['B', ' CA ', 241.472, 252.813, 173.085], ['B', ' C ', 240.757, 253.857, 173.926], ['B', ' O ', 241.089, 255.047, 173.857], ['B', ' CB ', 240.721, 252.531, 171.785], ['B', ' CG ', 239.324, 251.999, 172.013], ['B', ' ND2', 238.666, 251.601, 170.936], ['B', ' OD1', 238.841, 251.94, 173.139]]
[['B', ' N ', 239.814, 253.423, 174.761], ['B', ' CA ', 239.099, 254.343, 175.636], ['B', ' C ', 240.077, 255.129, 176.491], ['B', ' O ', 239.868, 256.316, 176.763], ['B', ' CB ', 238.086, 253.571, 176.495], ['B', ' CG1', 237.659, 254.393, 177.682], ['B', ' CG2', 236.894, 253.181, 175.654]]
[['B', ' N ', 241.174, 254.497, 176.908], ['B', ' CA ', 242.192, 255.225, 177.656], ['B', ' C ', 243.069, 256.06, 176.739], ['B', ' O ', 243.22, 257.268, 176.94], ['B', ' CB ', 243.073, 254.276, 178.454], ['B', ' CG ', 244.111, 255.159, 179.136], ['B', ' CD1', 243.464, 255.892, 180.28], ['B', ' CD2', 245.306, 254.393, 179.609]]
[['B', ' N ', 243.666, 255.429, 175.728], ['B', ' CA ', 244.693, 256.119, 174.954], ['B', ' C ', 244.16, 257.37, 174.273], ['B', ' O ', 244.915, 258.325, 174.08], ['B', ' CB ', 245.313, 255.182, 173.927], ['B', ' CG ', 246.111, 254.066, 174.542], ['B', ' CD1', 247.176, 254.333, 175.381], ['B', ' CD2', 245.811, 252.748, 174.272], ['B', ' CE1', 247.906, 253.317, 175.939], ['B', ' CE2', 246.538, 251.729, 174.827], ['B', ' CZ ', 247.582, 252.019, 175.655], ['B', ' OH ', 248.309, 251.001, 176.208]]
[['B', ' N ', 242.882, 257.406, 173.908], ['B', ' CA ', 242.341, 258.653, 173.38], ['B', ' C ', 241.814, 259.592, 174.456], ['B', ' O ', 241.324, 260.674, 174.121], ['B', ' CB ', 241.245, 258.398, 172.339], ['B', ' CG ', 241.77, 257.865, 171.014], ['B', ' CD ', 241.663, 256.372, 170.863], ['B', ' OE1', 240.72, 255.784, 171.424], ['B', ' OE2', 242.524, 255.787, 170.176]]
[['B', ' N ', 241.914, 259.224, 175.73], ['B', ' CA ', 241.471, 260.08, 176.823], ['B', ' C ', 242.514, 260.135, 177.929], ['B', ' O ', 242.17, 260.237, 179.107], ['B', ' CB ', 240.135, 259.602, 177.378], ['B', ' CG ', 238.97, 260.112, 176.581], ['B', ' ND2', 237.802, 259.531, 176.801], ['B', ' OD1', 239.118, 261.012, 175.759]]
[['B', ' N ', 243.793, 260.047, 177.564], ['B', ' CA ', 244.855, 260.077, 178.561], ['B', ' C ', 244.918, 261.422, 179.266], ['B', ' O ', 245.085, 261.479, 180.487], ['B', ' CB ', 246.192, 259.758, 177.902], ['B', ' CG ', 247.316, 259.508, 178.869], ['B', ' CD ', 248.529, 258.91, 178.194], ['B', ' NE2', 249.669, 258.978, 178.862], ['B', ' OE1', 248.445, 258.402, 177.08]]
[['B', ' N ', 244.8, 262.518, 178.517], ['B', ' CA ', 244.88, 263.837, 179.133], ['B', ' C ', 243.745, 264.049, 180.124], ['B', ' O ', 243.959, 264.543, 181.239], ['B', ' CB ', 244.864, 264.915, 178.055], ['B', ' CG ', 246.041, 264.845, 177.103], ['B', ' CD ', 247.344, 265.211, 177.8], ['B', ' CE ', 248.22, 263.988, 178.031], ['B', ' NZ ', 249.546, 264.356, 178.578]]
[['B', ' N ', 242.529, 263.675, 179.733], ['B', ' CA ', 241.386, 263.848, 180.617], ['B', ' C ', 241.573, 263.074, 181.909], ['B', ' O ', 241.386, 263.619, 182.999], ['B', ' CB ', 240.106, 263.407, 179.916], ['B', ' CG ', 239.301, 264.495, 179.217], ['B', ' CD1', 240.004, 264.973, 177.957], ['B', ' CD2', 237.924, 263.965, 178.899]]
[['B', ' N ', 241.949, 261.8, 181.811], ['B', ' CA ', 242.08, 260.989, 183.014], ['B', ' C ', 243.225, 261.488, 183.881], ['B', ' O ', 243.121, 261.508, 185.111], ['B', ' CB ', 242.239, 259.504, 182.654], ['B', ' CG1', 242.126, 258.655, 183.907], ['B', ' CG2', 243.543, 259.231, 181.967], ['B', ' CD1', 241.958, 257.206, 183.616]]
[['B', ' N ', 244.326, 261.917, 183.265], ['B', ' CA ', 245.455, 262.405, 184.044], ['B', ' C ', 245.084, 263.663, 184.82], ['B', ' O ', 245.372, 263.776, 186.019], ['B', ' CB ', 246.646, 262.66, 183.126]]
[['B', ' N ', 244.436, 264.619, 184.157], ['B', ' CA ', 244.062, 265.841, 184.85], ['B', ' C ', 242.868, 265.652, 185.771], ['B', ' O ', 242.64, 266.5, 186.637], ['B', ' CB ', 243.781, 266.952, 183.843], ['B', ' CG ', 244.971, 267.238, 182.958], ['B', ' ND2', 244.729, 267.866, 181.814], ['B', ' OD1', 246.103, 266.912, 183.308]]
[['B', ' N ', 242.101, 264.576, 185.605], ['B', ' CA ', 241.073, 264.244, 186.58], ['B', ' C ', 241.672, 263.611, 187.823], ['B', ' O ', 241.145, 263.795, 188.924], ['B', ' CB ', 240.043, 263.303, 185.962], ['B', ' CG ', 238.905, 264.008, 185.258], ['B', ' CD ', 237.911, 263.044, 184.645], ['B', ' NE2', 237.999, 262.859, 183.336], ['B', ' OE1', 237.07, 262.48, 185.337]]
[['B', ' N ', 242.758, 262.857, 187.656], ['B', ' CA ', 243.442, 262.216, 188.774], ['B', ' C ', 244.243, 263.222, 189.591], ['B', ' O ', 244.253, 263.163, 190.829], ['B', ' CB ', 244.34, 261.106, 188.227], ['B', ' CG ', 245.175, 260.427, 189.255], ['B', ' CD1', 244.603, 259.864, 190.37], ['B', ' CD2', 246.535, 260.323, 189.09], ['B', ' CE1', 245.381, 259.232, 191.307], ['B', ' CE2', 247.313, 259.693, 190.026], ['B', ' CZ ', 246.738, 259.145, 191.13]]
[['B', ' N ', 244.918, 264.152, 188.916], ['B', ' CA ', 245.674, 265.17, 189.637], ['B', ' C ', 244.752, 266.051, 190.466], ['B', ' O ', 245.008, 266.29, 191.65], ['B', ' CB ', 246.484, 266.013, 188.66], ['B', ' CG ', 247.497, 265.2, 187.908], ['B', ' ND2', 247.817, 265.623, 186.697], ['B', ' OD1', 247.985, 264.195, 188.407]]
[['B', ' N ', 243.663, 266.528, 189.872], ['B', ' CA ', 242.718, 267.382, 190.571], ['B', ' C ', 241.785, 266.595, 191.476], ['B', ' O ', 240.807, 267.154, 191.982], ['B', ' CB ', 241.918, 268.211, 189.57], ['B', ' OG ', 241.092, 267.389, 188.772]]
[['B', ' N ', 242.057, 265.309, 191.677], ['B', ' CA ', 241.376, 264.517, 192.688], ['B', ' C ', 242.28, 264.106, 193.832], ['B', ' O ', 241.775, 263.84, 194.924], ['B', ' CB ', 240.76, 263.252, 192.074]]
[['B', ' N ', 243.592, 264.029, 193.613], ['B', ' CA ', 244.487, 263.855, 194.751], ['B', ' C ', 244.475, 265.072, 195.672], ['B', ' O ', 244.477, 264.907, 196.898], ['B', ' CB ', 245.927, 263.551, 194.31], ['B', ' CG1', 246.012, 262.167, 193.684], ['B', ' CG2', 246.875, 263.594, 195.485], ['B', ' CD1', 247.402, 261.801, 193.248]]
[['B', ' N ', 244.433, 266.29, 195.123], ['B', ' CA ', 244.501, 267.479, 195.96], ['B', ' C ', 243.366, 267.594, 196.96], ['B', ' O ', 243.523, 268.212, 198.022]]
[['B', ' N ', 242.208, 267.017, 196.642], ['B', ' CA ', 241.1, 267.068, 197.585], ['B', ' C ', 241.421, 266.312, 198.864], ['B', ' O ', 240.92, 266.674, 199.931], ['B', ' CB ', 239.828, 266.519, 196.947], ['B', ' CG ', 239.547, 267.071, 195.568], ['B', ' CD ', 238.834, 268.399, 195.65], ['B', ' CE ', 239.211, 269.285, 194.48], ['B', ' NZ ', 240.652, 269.645, 194.51]]
[['B', ' N ', 242.249, 265.269, 198.785], ['B', ' CA ', 242.667, 264.577, 200.0], ['B', ' C ', 243.502, 265.497, 200.872], ['B', ' O ', 243.322, 265.55, 202.094], ['B', ' CB ', 243.44, 263.296, 199.659], ['B', ' CG1', 242.731, 262.52, 198.56], ['B', ' CG2', 243.578, 262.437, 200.891], ['B', ' CD1', 243.44, 261.261, 198.198]]
[['B', ' N ', 244.445, 266.215, 200.263], ['B', ' CA ', 245.236, 267.196, 200.993], ['B', ' C ', 244.333, 268.188, 201.703], ['B', ' O ', 244.49, 268.445, 202.902], ['B', ' CB ', 246.17, 267.92, 200.026], ['B', ' CG ', 247.484, 268.369, 200.616], ['B', ' CD ', 248.414, 268.945, 199.566], ['B', ' NE2', 248.746, 270.22, 199.708], ['B', ' OE1', 248.817, 268.255, 198.63]]
[['B', ' N ', 243.359, 268.736, 200.975], ['B', ' CA ', 242.457, 269.721, 201.57], ['B', ' C ', 241.653, 269.12, 202.719], ['B', ' O ', 241.581, 269.698, 203.811], ['B', ' CB ', 241.526, 270.292, 200.502], ['B', ' CG ', 242.25, 271.191, 199.528], ['B', ' OD1', 243.357, 271.656, 199.871], ['B', ' OD2', 241.714, 271.443, 198.428]]
[['B', ' N ', 241.051, 267.951, 202.495], ['B', ' CA ', 240.198, 267.346, 203.51], ['B', ' C ', 240.983, 267.009, 204.768], ['B', ' O ', 240.494, 267.21, 205.884], ['B', ' CB ', 239.524, 266.093, 202.952], ['B', ' OG ', 239.037, 265.267, 203.995]]
[['B', ' N ', 242.199, 266.486, 204.613], ['B', ' CA ', 242.977, 266.115, 205.786], ['B', ' C ', 243.523, 267.34, 206.506], ['B', ' O ', 243.576, 267.36, 207.74], ['B', ' CB ', 244.115, 265.174, 205.392], ['B', ' CG ', 243.7, 263.757, 204.999], ['B', ' CD1', 244.912, 262.905, 204.673], ['B', ' CD2', 242.87, 263.117, 206.084]]
[['B', ' N ', 243.93, 268.373, 205.765], ['B', ' CA ', 244.517, 269.54, 206.413], ['B', ' C ', 243.464, 270.369, 207.136], ['B', ' O ', 243.734, 270.92, 208.21], ['B', ' CB ', 245.253, 270.393, 205.383], ['B', ' OG ', 246.106, 271.33, 206.017]]
[['B', ' N ', 242.262, 270.48, 206.564], ['B', ' CA ', 241.255, 271.373, 207.131], ['B', ' C ', 240.812, 270.917, 208.517], ['B', ' O ', 240.838, 271.696, 209.476], ['B', ' CB ', 240.057, 271.471, 206.188], ['B', ' OG ', 240.443, 272.008, 204.936]]
[['B', ' N ', 240.4, 269.656, 208.646], ['B', ' CA ', 239.867, 269.142, 209.901], ['B', ' C ', 240.389, 267.735, 210.146], ['B', ' O ', 240.881, 267.064, 209.236], ['B', ' CB ', 238.327, 269.112, 209.917], ['B', ' CG2', 237.739, 270.488, 209.635], ['B', ' OG1', 237.853, 268.177, 208.94]]
[['B', ' N ', 240.276, 267.295, 211.397], ['B', ' CA ', 240.567, 265.908, 211.763], ['B', ' C ', 239.307, 265.051, 211.699], ['B', ' O ', 238.973, 264.316, 212.628], ['B', ' CB ', 241.195, 265.856, 213.15]]
[['B', ' N ', 238.598, 265.142, 210.573], ['B', ' CA ', 237.331, 264.436, 210.426], ['B', ' C ', 237.538, 262.949, 210.164], ['B', ' O ', 236.789, 262.115, 210.685], ['B', ' CB ', 236.513, 265.066, 209.299], ['B', ' OG ', 236.426, 266.471, 209.455]]
[['B', ' N ', 238.546, 262.599, 209.364], ['B', ' CA ', 238.745, 261.217, 208.946], ['B', ' C ', 239.577, 260.409, 209.934], ['B', ' O ', 239.295, 259.226, 210.149], ['B', ' CB ', 239.398, 261.18, 207.564]]
[['B', ' N ', 240.591, 261.014, 210.55], ['B', ' CA ', 241.481, 260.266, 211.43], ['B', ' C ', 240.904, 260.107, 212.828], ['B', ' O ', 241.571, 260.422, 213.817], ['B', ' CB ', 242.851, 260.939, 211.52], ['B', ' CG ', 243.843, 260.664, 210.394], ['B', ' CD1', 243.44, 261.378, 209.135], ['B', ' CD2', 245.238, 261.065, 210.802]]
[['B', ' N ', 239.677, 259.609, 212.925], ['B', ' CA ', 239.093, 259.322, 214.218], ['B', ' C ', 239.234, 257.862, 214.581], ['B', ' O ', 239.271, 257.506, 215.764]]
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[['B', ' N ', 249.915, 253.299, 252.546], ['B', ' CA ', 250.428, 252.08, 253.16], ['B', ' C ', 251.225, 252.385, 254.422], ['B', ' O ', 251.021, 251.756, 255.467], ['B', ' CB ', 251.284, 251.313, 252.158], ['B', ' CG ', 251.586, 249.894, 252.615], ['B', ' CD1', 250.285, 249.166, 252.867], ['B', ' CD2', 252.412, 249.164, 251.582]]
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[['B', ' N ', 251.065, 250.98, 258.307], ['B', ' CA ', 252.277, 250.325, 258.788], ['B', ' C ', 252.752, 250.909, 260.111], ['B', ' O ', 253.296, 250.193, 260.957], ['B', ' CB ', 253.385, 250.439, 257.745], ['B', ' CG ', 253.569, 249.231, 256.831], ['B', ' CD1', 252.323, 248.981, 256.016], ['B', ' CD2', 254.777, 249.427, 255.924]]
[['B', ' N ', 252.551, 252.204, 260.294], ['B', ' CA ', 252.961, 252.875, 261.519], ['B', ' C ', 251.907, 252.838, 262.612], ['B', ' O ', 252.237, 252.567, 263.768], ['B', ' CB ', 253.331, 254.335, 261.221]]
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[['B', ' N ', 249.301, 250.823, 263.286], ['B', ' CA ', 248.834, 249.543, 263.818], ['B', ' C ', 249.902, 248.477, 263.586], ['B', ' O ', 249.937, 247.842, 262.529], ['B', ' CB ', 247.504, 249.15, 263.182], ['B', ' CG ', 246.43, 250.24, 263.22], ['B', ' CD1', 245.181, 249.815, 262.479], ['B', ' CD2', 246.101, 250.595, 264.653]]
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[['B', ' N ', 250.403, 245.506, 265.612], ['B', ' CA ', 250.104, 244.091, 265.88], ['B', ' C ', 249.365, 243.471, 264.707], ['B', ' O ', 249.218, 244.115, 263.658], ['B', ' CB ', 249.232, 244.15, 267.147], ['B', ' CG ', 248.706, 245.524, 267.225], ['B', ' CD ', 249.359, 246.374, 266.19]]
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[['B', ' N ', 244.086, 244.745, 257.59], ['B', ' CA ', 243.951, 245.958, 256.787], ['B', ' C ', 244.678, 245.812, 255.454], ['B', ' O ', 244.103, 246.055, 254.382], ['B', ' CB ', 244.464, 247.169, 257.56], ['B', ' CG ', 243.799, 247.363, 258.91], ['B', ' CD ', 242.342, 247.748, 258.794], ['B', ' NE2', 241.499, 247.117, 259.601], ['B', ' OE1', 241.976, 248.608, 257.996]]
[['B', ' N ', 245.933, 245.369, 255.497], ['B', ' CA ', 246.708, 245.216, 254.279], ['B', ' C ', 246.134, 244.111, 253.411], ['B', ' O ', 246.243, 244.172, 252.187], ['B', ' CB ', 248.185, 244.971, 254.625], ['B', ' CG1', 248.738, 246.16, 255.403], ['B', ' CG2', 249.004, 244.793, 253.372], ['B', ' CD1', 250.228, 246.16, 255.507]]
[['B', ' N ', 245.501, 243.094, 254.0], ['B', ' CA ', 244.827, 242.104, 253.169], ['B', ' C ', 243.693, 242.738, 252.386], ['B', ' O ', 243.506, 242.437, 251.202], ['B', ' CB ', 244.307, 240.946, 254.016], ['B', ' CG ', 245.368, 239.903, 254.284], ['B', ' OD1', 246.553, 240.275, 254.374], ['B', ' OD2', 245.022, 238.707, 254.385]]
[['B', ' N ', 242.928, 243.625, 253.024], ['B', ' CA ', 241.862, 244.306, 252.293], ['B', ' C ', 242.429, 245.129, 251.141], ['B', ' O ', 241.941, 245.052, 250.003], ['B', ' CB ', 241.046, 245.182, 253.24], ['B', ' CG ', 240.349, 244.398, 254.33], ['B', ' CD ', 239.395, 245.267, 255.124], ['B', ' NE ', 238.223, 245.644, 254.34], ['B', ' CZ ', 237.082, 244.963, 254.328], ['B', ' NH1', 236.952, 243.868, 255.061], ['B', ' NH2', 236.07, 245.379, 253.584]]
[['B', ' N ', 243.485, 245.902, 251.41], ['B', ' CA ', 244.093, 246.684, 250.333], ['B', ' C ', 244.647, 245.797, 249.226], ['B', ' O ', 244.503, 246.119, 248.041], ['B', ' CB ', 245.194, 247.601, 250.852], ['B', ' CG ', 244.841, 248.909, 251.553], ['B', ' CD1', 244.261, 248.707, 252.91], ['B', ' CD2', 246.084, 249.775, 251.629]]
[['B', ' N ', 245.315, 244.7, 249.584], ['B', ' CA ', 245.908, 243.835, 248.571], ['B', ' C ', 244.827, 243.223, 247.705], ['B', ' O ', 244.967, 243.145, 246.483], ['B', ' CB ', 246.776, 242.747, 249.219], ['B', ' CG1', 248.056, 243.339, 249.784], ['B', ' CG2', 247.132, 241.698, 248.203], ['B', ' CD1', 248.809, 242.355, 250.633]]
[['B', ' N ', 243.736, 242.768, 248.319], ['B', ' CA ', 242.648, 242.206, 247.532], ['B', ' C ', 242.087, 243.242, 246.57], ['B', ' O ', 241.864, 242.947, 245.39], ['B', ' CB ', 241.55, 241.678, 248.45], ['B', ' CG2', 240.413, 241.11, 247.631], ['B', ' OG1', 242.08, 240.642, 249.281]]
[['B', ' N ', 241.884, 244.47, 247.045], ['B', ' CA ', 241.364, 245.497, 246.157], ['B', ' C ', 242.289, 245.781, 244.988], ['B', ' O ', 241.861, 245.82, 243.83]]
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[['B', ' N ', 242.415, 242.883, 242.493], ['B', ' CA ', 241.229, 242.832, 241.647], ['B', ' C ', 241.275, 243.903, 240.567], ['B', ' O ', 240.956, 243.635, 239.401], ['B', ' CB ', 239.97, 242.993, 242.49], ['B', ' CG ', 238.748, 243.357, 241.677], ['B', ' CD ', 237.485, 243.371, 242.502], ['B', ' NE2', 237.636, 243.283, 243.816], ['B', ' OE1', 236.384, 243.464, 241.965]]
[['B', ' N ', 241.671, 245.124, 240.932], ['B', ' CA ', 241.733, 246.191, 239.941], ['B', ' C ', 242.741, 245.87, 238.846], ['B', ' O ', 242.463, 246.058, 237.654], ['B', ' CB ', 242.079, 247.51, 240.619], ['B', ' OG ', 243.364, 247.441, 241.195]]
[['B', ' N ', 243.913, 245.363, 239.227], ['B', ' CA ', 244.921, 245.027, 238.229], ['B', ' C ', 244.446, 243.899, 237.322], ['B', ' O ', 244.667, 243.934, 236.104], ['B', ' CB ', 246.228, 244.66, 238.923], ['B', ' CG ', 247.418, 244.344, 238.031], ['B', ' CD1', 247.712, 245.517, 237.138], ['B', ' CD2', 248.614, 244.028, 238.895]]
[['B', ' N ', 243.785, 242.89, 237.89], ['B', ' CA ', 243.295, 241.79, 237.07], ['B', ' C ', 242.249, 242.27, 236.076], ['B', ' O ', 242.242, 241.842, 234.913], ['B', ' CB ', 242.729, 240.686, 237.957], ['B', ' CG ', 242.017, 239.584, 237.205], ['B', ' CD ', 240.89, 238.98, 238.013], ['B', ' NE2', 240.115, 238.103, 237.391], ['B', ' OE1', 240.721, 239.295, 239.188]]
[['B', ' N ', 241.352, 243.156, 236.507], ['B', ' CA ', 240.355, 243.663, 235.574], ['B', ' C ', 240.935, 244.647, 234.574], ['B', ' O ', 240.281, 244.93, 233.57], ['B', ' CB ', 239.196, 244.324, 236.311], ['B', ' CG2', 238.512, 243.326, 237.23], ['B', ' OG1', 239.683, 245.432, 237.073]]
[['B', ' N ', 242.123, 245.189, 234.828], ['B', ' CA ', 242.817, 245.896, 233.756], ['B', ' C ', 243.384, 244.931, 232.725], ['B', ' O ', 243.277, 245.169, 231.515], ['B', ' CB ', 243.947, 246.751, 234.307], ['B', ' CG ', 244.924, 247.188, 233.243], ['B', ' CD1', 244.552, 248.086, 232.264], ['B', ' CD2', 246.214, 246.698, 233.217], ['B', ' CE1', 245.436, 248.49, 231.297], ['B', ' CE2', 247.105, 247.096, 232.254], ['B', ' CZ ', 246.709, 247.99, 231.296], ['B', ' OH ', 247.595, 248.39, 230.331]]
[['B', ' N ', 244.013, 243.85, 233.19], ['B', ' CA ', 244.618, 242.901, 232.26], ['B', ' C ', 243.556, 242.268, 231.377], ['B', ' O ', 243.764, 242.081, 230.174], ['B', ' CB ', 245.425, 241.833, 233.01], ['B', ' CG1', 246.159, 240.968, 232.021], ['B', ' CG2', 246.411, 242.481, 233.946]]
[['B', ' N ', 242.407, 241.92, 231.956], ['B', ' CA ', 241.344, 241.309, 231.16], ['B', ' C ', 240.833, 242.264, 230.086], ['B', ' O ', 240.596, 241.859, 228.94], ['B', ' CB ', 240.202, 240.858, 232.065], ['B', ' CG2', 238.97, 240.54, 231.248], ['B', ' OG1', 240.603, 239.692, 232.792]]
[['B', ' N ', 240.661, 243.538, 230.436], ['B', ' CA ', 240.199, 244.508, 229.453], ['B', ' C ', 241.211, 244.685, 228.336], ['B', ' O ', 240.834, 244.79, 227.165], ['B', ' CB ', 239.904, 245.848, 230.12], ['B', ' CG ', 239.325, 246.912, 229.193], ['B', ' CD ', 237.924, 246.601, 228.684], ['B', ' NE2', 237.131, 247.645, 228.48], ['B', ' OE1', 237.555, 245.447, 228.487]]
[['B', ' N ', 242.5, 244.728, 228.671], ['B', ' CA ', 243.506, 244.794, 227.617], ['B', ' C ', 243.44, 243.564, 226.725], ['B', ' O ', 243.549, 243.671, 225.5], ['B', ' CB ', 244.899, 244.939, 228.214], ['B', ' CG ', 245.264, 246.357, 228.571], ['B', ' CD ', 245.555, 247.208, 227.36], ['B', ' NE2', 244.609, 248.062, 226.999], ['B', ' OE1', 246.623, 247.113, 226.763]]
[['B', ' N ', 243.249, 242.387, 227.322], ['B', ' CA ', 243.189, 241.158, 226.539], ['B', ' C ', 242.028, 241.182, 225.556], ['B', ' O ', 242.169, 240.74, 224.412], ['B', ' CB ', 243.072, 239.952, 227.464], ['B', ' CG ', 244.369, 239.364, 228.005], ['B', ' CD1', 244.073, 238.395, 229.128], ['B', ' CD2', 245.109, 238.673, 226.889]]
[['B', ' N ', 240.865, 241.673, 225.986], ['B', ' CA ', 239.729, 241.735, 225.067], ['B', ' C ', 239.944, 242.807, 224.005], ['B', ' O ', 239.672, 242.583, 222.82], ['B', ' CB ', 238.409, 241.954, 225.823], ['B', ' CG1', 238.072, 240.736, 226.667], ['B', ' CG2', 237.289, 242.194, 224.859], ['B', ' CD1', 236.904, 240.957, 227.573]]
[['B', ' N ', 240.426, 243.984, 224.401], ['B', ' CA ', 240.626, 245.083, 223.466], ['B', ' C ', 241.71, 244.797, 222.44], ['B', ' O ', 241.67, 245.366, 221.346], ['B', ' CB ', 240.953, 246.365, 224.239], ['B', ' CG ', 241.235, 247.574, 223.373], ['B', ' CD ', 241.418, 248.836, 224.194], ['B', ' NE ', 240.154, 249.336, 224.717], ['B', ' CZ ', 239.87, 249.444, 226.009], ['B', ' NH1', 240.765, 249.093, 226.918], ['B', ' NH2', 238.693, 249.914, 226.391]]
[['B', ' N ', 242.653, 243.913, 222.746], ['B', ' CA ', 243.704, 243.546, 221.81], ['B', ' C ', 243.26, 242.508, 220.797], ['B', ' O ', 244.071, 242.092, 219.967], ['B', ' CB ', 244.922, 243.021, 222.565]]
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[['B', ' N ', 241.797, 244.834, 217.685], ['B', ' CA ', 242.93, 245.436, 216.998], ['B', ' C ', 243.563, 244.434, 216.051], ['B', ' O ', 243.887, 244.763, 214.906], ['B', ' CB ', 243.946, 245.978, 218.012], ['B', ' CG1', 243.46, 247.306, 218.58], ['B', ' CG2', 245.286, 246.16, 217.361], ['B', ' CD1', 243.44, 248.416, 217.577]]
[['B', ' N ', 243.74, 243.194, 216.499], ['B', ' CA ', 244.239, 242.163, 215.603], ['B', ' C ', 243.247, 241.827, 214.504], ['B', ' O ', 243.669, 241.515, 213.389], ['B', ' CB ', 244.593, 240.91, 216.396], ['B', ' CG ', 244.83, 239.685, 215.556], ['B', ' CD ', 245.242, 238.526, 216.432], ['B', ' NE ', 244.192, 238.158, 217.371], ['B', ' CZ ', 244.383, 237.387, 218.431], ['B', ' NH1', 245.588, 236.905, 218.69], ['B', ' NH2', 243.37, 237.103, 219.234]]
[['B', ' N ', 241.949, 241.895, 214.782], ['B', ' CA ', 240.957, 241.681, 213.74], ['B', ' C ', 241.047, 242.719, 212.637], ['B', ' O ', 240.83, 242.382, 211.471], ['B', ' CB ', 239.552, 241.688, 214.337]]
[['B', ' N ', 241.348, 243.968, 212.981], ['B', ' CA ', 241.588, 245.005, 211.988], ['B', ' C ', 242.954, 244.902, 211.325], ['B', ' O ', 243.08, 245.24, 210.144], ['B', ' CB ', 241.446, 246.392, 212.62], ['B', ' OG ', 242.065, 246.42, 213.891]]
[['B', ' N ', 243.974, 244.452, 212.044], ['B', ' CA ', 245.28, 244.219, 211.451], ['B', ' C ', 245.276, 243.079, 210.45], ['B', ' O ', 246.027, 243.134, 209.475], ['B', ' CB ', 246.312, 243.925, 212.537]]
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[['B', ' N ', 242.657, 242.441, 208.631], ['B', ' CA ', 241.974, 243.025, 207.491], ['B', ' C ', 242.875, 243.941, 206.687], ['B', ' O ', 242.766, 243.967, 205.461], ['B', ' CB ', 240.745, 243.804, 207.951], ['B', ' CG ', 239.983, 244.537, 206.855], ['B', ' CD1', 239.432, 243.539, 205.869], ['B', ' CD2', 238.867, 245.359, 207.461]]
[['B', ' N ', 243.764, 244.679, 207.342], ['B', ' CA ', 244.735, 245.492, 206.623], ['B', ' C ', 245.672, 244.658, 205.767], ['B', ' O ', 245.966, 245.042, 204.633], ['B', ' CB ', 245.555, 246.331, 207.6]]
[['B', ' N ', 246.135, 243.518, 206.277], ['B', ' CA ', 247.031, 242.668, 205.502], ['B', ' C ', 246.363, 242.15, 204.237], ['B', ' O ', 246.975, 242.156, 203.165], ['B', ' CB ', 247.52, 241.507, 206.36]]
[['B', ' N ', 245.113, 241.704, 204.329], ['B', ' CA ', 244.426, 241.187, 203.153], ['B', ' C ', 243.826, 242.277, 202.286], ['B', ' O ', 243.441, 241.993, 201.15], ['B', ' CB ', 243.318, 240.221, 203.548], ['B', ' CG2', 243.821, 239.226, 204.567], ['B', ' OG1', 242.226, 240.956, 204.101]]
[['B', ' N ', 243.717, 243.503, 202.784], ['B', ' CA ', 243.36, 244.625, 201.936], ['B', ' C ', 244.574, 245.263, 201.292], ['B', ' O ', 244.42, 246.096, 200.399], ['B', ' CB ', 242.598, 245.684, 202.74], ['B', ' CG ', 241.62, 246.486, 201.917], ['B', ' CD ', 240.919, 247.52, 202.753], ['B', ' CE ', 240.183, 246.87, 203.893], ['B', ' NZ ', 239.188, 245.897, 203.396]]
[['B', ' N ', 245.771, 244.906, 201.739], ['B', ' CA ', 246.98, 245.429, 201.138], ['B', ' C ', 247.663, 244.423, 200.232], ['B', ' O ', 248.36, 244.827, 199.3], ['B', ' CB ', 247.939, 245.892, 202.239], ['B', ' CG ', 249.339, 246.213, 201.83], ['B', ' SD ', 249.779, 247.583, 202.901], ['B', ' CE ', 251.522, 247.703, 202.64]]
[['B', ' N ', 247.463, 243.128, 200.467], ['B', ' CA ', 247.856, 242.134, 199.478], ['B', ' C ', 247.041, 242.292, 198.207], ['B', ' O ', 247.58, 242.222, 197.1], ['B', ' CB ', 247.689, 240.728, 200.045], ['B', ' OG ', 248.604, 240.495, 201.098]]
[['B', ' N ', 245.739, 242.529, 198.346], ['B', ' CA ', 244.827, 242.459, 197.212], ['B', ' C ', 244.677, 243.787, 196.481], ['B', ' O ', 244.8, 243.829, 195.256], ['B', ' CB ', 243.463, 241.964, 197.682], ['B', ' CG ', 243.485, 240.531, 198.158], ['B', ' CD ', 242.139, 240.066, 198.633], ['B', ' OE1', 241.223, 240.905, 198.705], ['B', ' OE2', 241.992, 238.868, 198.938]]
[['B', ' N ', 244.397, 244.877, 197.2], ['B', ' CA ', 244.151, 246.146, 196.521], ['B', ' C ', 245.444, 246.746, 195.979], ['B', ' O ', 245.464, 247.3, 194.876], ['B', ' CB ', 243.451, 247.135, 197.455], ['B', ' SG ', 242.07, 246.494, 198.442]]
[['B', ' N ', 246.536, 246.652, 196.736], ['B', ' CA ', 247.788, 247.27, 196.305], ['B', ' C ', 248.489, 246.4, 195.269], ['B', ' O ', 248.67, 246.804, 194.116], ['B', ' CB ', 248.702, 247.54, 197.509], ['B', ' CG1', 250.074, 247.93, 197.04], ['B', ' CG2', 248.129, 248.639, 198.358]]
[['B', ' N ', 248.88, 245.19, 195.656], ['B', ' CA ', 249.691, 244.338, 194.796], ['B', ' C ', 248.893, 243.64, 193.71], ['B', ' O ', 249.401, 242.685, 193.12], ['B', ' CB ', 250.427, 243.28, 195.62], ['B', ' CG ', 251.678, 243.642, 196.421], ['B', ' CD1', 251.35, 244.485, 197.632], ['B', ' CD2', 252.422, 242.392, 196.834]]
[['B', ' N ', 247.671, 244.069, 193.432], ['B', ' CA ', 246.889, 243.433, 192.395], ['B', ' C ', 245.751, 244.294, 191.899], ['B', ' O ', 245.898, 245.509, 191.761]]
[['B', ' N ', 244.609, 243.677, 191.618], ['B', ' CA ', 243.438, 244.427, 191.176], ['B', ' C ', 242.219, 243.59, 191.522], ['B', ' O ', 241.886, 242.658, 190.787], ['B', ' CB ', 243.506, 244.709, 189.688], ['B', ' CG ', 242.493, 245.705, 189.199], ['B', ' CD ', 242.415, 245.726, 187.7], ['B', ' NE2', 241.852, 246.788, 187.149], ['B', ' OE1', 242.874, 244.8, 187.038]]
[['B', ' N ', 241.56, 243.923, 192.624], ['B', ' CA ', 240.47, 243.105, 193.12], ['B', ' C ', 239.218, 243.319, 192.289], ['B', ' O ', 238.892, 244.446, 191.915], ['B', ' CB ', 240.178, 243.44, 194.574], ['B', ' OG ', 239.594, 244.722, 194.659]]
[['B', ' N ', 238.514, 242.227, 192.001], ['B', ' CA ', 237.224, 242.301, 191.337], ['B', ' C ', 236.062, 242.139, 192.299], ['B', ' O ', 234.914, 242.08, 191.858], ['B', ' CB ', 237.13, 241.262, 190.226], ['B', ' CG ', 237.673, 241.753, 188.9], ['B', ' CD ', 237.273, 240.825, 187.773], ['B', ' CE ', 235.767, 240.804, 187.601], ['B', ' NZ ', 235.256, 242.125, 187.159]]
[['B', ' N ', 236.326, 242.068, 193.597], ['B', ' CA ', 235.246, 242.133, 194.566], ['B', ' C ', 234.632, 243.524, 194.546], ['B', ' O ', 235.28, 244.5, 194.169], ['B', ' CB ', 235.759, 241.806, 195.964], ['B', ' CG ', 236.836, 240.747, 195.997], ['B', ' CD ', 237.506, 240.712, 197.349], ['B', ' NE ', 236.558, 240.386, 198.406], ['B', ' CZ ', 236.877, 239.744, 199.522], ['B', ' NH1', 238.126, 239.363, 199.733], ['B', ' NH2', 235.95, 239.487, 200.43]]
[['B', ' N ', 233.374, 243.617, 194.951], ['B', ' CA ', 232.641, 244.877, 194.894], ['B', ' C ', 232.671, 245.552, 196.255], ['B', ' O ', 232.56, 244.894, 197.294], ['B', ' CB ', 231.198, 244.662, 194.418], ['B', ' CG1', 230.489, 245.989, 194.301], ['B', ' CG2', 231.2, 243.952, 193.086]]
[['B', ' N ', 232.847, 246.871, 196.246], ['B', ' CA ', 232.87, 247.735, 197.422], ['B', ' C ', 233.949, 247.355, 198.422], ['B', ' O ', 233.957, 247.879, 199.538], ['B', ' CB ', 231.511, 247.773, 198.13], ['B', ' CG ', 230.453, 248.54, 197.347], ['B', ' OD1', 230.688, 248.846, 196.161], ['B', ' OD2', 229.386, 248.842, 197.926]]
[['B', ' N ', 234.865, 246.461, 198.058], ['B', ' CA ', 235.941, 246.077, 198.967], ['B', ' C ', 237.025, 247.146, 199.018], ['B', ' O ', 237.292, 247.724, 200.076], ['B', ' CB ', 236.533, 244.737, 198.537], ['B', ' CG ', 237.53, 244.174, 199.502], ['B', ' CD1', 237.193, 243.964, 200.821], ['B', ' CD2', 238.799, 243.839, 199.085], ['B', ' CE1', 238.102, 243.44, 201.701], ['B', ' CE2', 239.708, 243.321, 199.962], ['B', ' CZ ', 239.36, 243.121, 201.271]]
[['B', ' N ', 237.664, 247.414, 197.882], ['B', ' CA ', 238.659, 248.477, 197.789], ['B', ' C ', 238.0, 249.734, 197.221], ['B', ' O ', 238.221, 250.136, 196.082], ['B', ' CB ', 239.844, 248.032, 196.935], ['B', ' SG ', 240.467, 246.345, 197.201]]
[['B', ' N ', 237.159, 250.345, 198.044], ['B', ' CA ', 236.525, 251.6, 197.702], ['B', ' C ', 235.391, 251.435, 196.706], ['B', ' O ', 235.388, 250.548, 195.858]]
[['B', ' N ', 234.411, 252.329, 196.812], ['B', ' CA ', 233.211, 252.238, 195.991], ['B', ' C ', 233.496, 252.638, 194.551], ['B', ' O ', 234.182, 253.627, 194.287], ['B', ' CB ', 232.102, 253.113, 196.564], ['B', ' CG ', 230.783, 252.96, 195.84], ['B', ' CD ', 229.715, 253.858, 196.429], ['B', ' CE ', 229.204, 253.305, 197.747], ['B', ' NZ ', 228.084, 254.115, 198.291]]
[['B', ' N ', 232.946, 251.873, 193.622], ['B', ' CA ', 233.226, 252.018, 192.214], ['B', ' C ', 233.92, 250.793, 191.656], ['B', ' O ', 233.86, 249.696, 192.212]]
[['B', ' N ', 234.598, 250.994, 190.534], ['B', ' CA ', 235.413, 249.957, 189.916], ['B', ' C ', 236.868, 250.209, 190.281], ['B', ' O ', 237.532, 251.046, 189.668], ['B', ' CB ', 235.21, 249.943, 188.407], ['B', ' CG ', 233.825, 249.512, 188.026], ['B', ' CD1', 233.478, 248.179, 188.01], ['B', ' CD2', 232.853, 250.44, 187.723], ['B', ' CE1', 232.208, 247.781, 187.68], ['B', ' CE2', 231.579, 250.052, 187.396], ['B', ' CZ ', 231.263, 248.722, 187.377], ['B', ' OH ', 229.992, 248.328, 187.048]]
[['B', ' N ', 237.365, 249.473, 191.267], ['B', ' CA ', 238.704, 249.709, 191.783], ['B', ' C ', 239.753, 249.311, 190.762], ['B', ' O ', 239.657, 248.246, 190.15], ['B', ' CB ', 238.908, 248.917, 193.065], ['B', ' CG ', 240.341, 248.743, 193.445], ['B', ' CD2', 241.169, 249.521, 194.177], ['B', ' ND1', 241.073, 247.636, 193.084], ['B', ' CE1', 242.296, 247.745, 193.567], ['B', ' NE2', 242.38, 248.88, 194.235]]
[['B', ' N ', 240.765, 250.159, 190.584], ['B', ' CA ', 241.826, 249.865, 189.633], ['B', ' C ', 243.248, 250.111, 190.133], ['B', ' O ', 244.168, 249.49, 189.593], ['B', ' CB ', 241.592, 250.639, 188.328], ['B', ' CG ', 241.548, 252.156, 188.295], ['B', ' CD1', 242.929, 252.728, 188.188], ['B', ' CD2', 240.72, 252.593, 187.127]]
[['B', ' N ', 243.47, 250.956, 191.136], ['B', ' CA ', 244.803, 251.122, 191.71], ['B', ' C ', 244.65, 251.519, 193.17], ['B', ' O ', 243.539, 251.738, 193.652], ['B', ' CB ', 245.622, 252.155, 190.933], ['B', ' CG ', 246.314, 251.583, 189.717], ['B', ' SD ', 247.687, 252.518, 189.037], ['B', ' CE ', 248.572, 252.929, 190.52]]
[['B', ' N ', 245.77, 251.598, 193.883], ['B', ' CA ', 245.754, 252.066, 195.265], ['B', ' C ', 247.183, 252.251, 195.745], ['B', ' O ', 248.116, 251.634, 195.227], ['B', ' CB ', 245.015, 251.103, 196.188], ['B', ' OG ', 245.685, 249.863, 196.248]]
[['B', ' N ', 247.339, 253.107, 196.756], ['B', ' CA ', 248.633, 253.483, 197.289], ['B', ' C ', 248.564, 253.453, 198.809], ['B', ' O ', 247.613, 253.997, 199.388], ['B', ' CB ', 249.026, 254.876, 196.813], ['B', ' CG ', 248.753, 255.117, 195.368], ['B', ' CD1', 249.64, 254.686, 194.409], ['B', ' CD2', 247.606, 255.759, 194.967], ['B', ' CE1', 249.396, 254.905, 193.088], ['B', ' CE2', 247.358, 255.975, 193.645], ['B', ' CZ ', 248.254, 255.55, 192.704]]
[['B', ' N ', 249.532, 252.846, 199.482], ['B', ' CA ', 249.534, 252.851, 200.944], ['B', ' C ', 250.29, 254.037, 201.514], ['B', ' O ', 251.303, 254.484, 200.979], ['B', ' CB ', 250.249, 251.539, 201.278], ['B', ' CG ', 251.221, 251.39, 200.169], ['B', ' CD ', 250.579, 251.971, 198.939]]
[['B', ' N ', 249.774, 254.555, 202.622], ['B', ' CA ', 250.406, 255.672, 203.306], ['B', ' C ', 250.358, 255.398, 204.796], ['B', ' O ', 249.298, 255.061, 205.325], ['B', ' CB ', 249.708, 256.993, 202.984], ['B', ' CG ', 249.788, 257.399, 201.533], ['B', ' CD ', 251.205, 257.483, 201.033], ['B', ' NE2', 252.082, 258.055, 201.84], ['B', ' OE1', 251.511, 257.044, 199.93]]
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[['B', ' N ', 216.913, 248.648, 172.847], ['B', ' CA ', 217.855, 247.548, 172.722], ['B', ' C ', 217.153, 246.312, 172.179], ['B', ' O ', 215.937, 246.293, 171.978], ['B', ' CB ', 218.514, 247.235, 174.063], ['B', ' CG2', 217.47, 246.881, 175.073], ['B', ' OG1', 219.396, 246.123, 173.904]]
[['B', ' N ', 217.939, 245.264, 171.939], ['B', ' CA ', 217.411, 244.019, 171.41], ['B', ' C ', 218.307, 242.887, 171.86], ['B', ' O ', 219.533, 243.03, 171.791], ['B', ' CB ', 217.34, 244.048, 169.884]]
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[['B', ' N ', 218.404, 239.639, 163.563], ['B', ' CA ', 217.932, 238.498, 162.776], ['B', ' C ', 218.224, 238.762, 161.303], ['B', ' O ', 217.461, 239.46, 160.633], ['B', ' CB ', 216.447, 238.266, 163.011], ['B', ' SG ', 215.738, 236.835, 162.188]]
[['B', ' N ', 219.31, 238.188, 160.793], ['B', ' CA ', 219.719, 238.382, 159.407], ['B', ' C ', 219.646, 237.062, 158.657], ['B', ' O ', 220.399, 236.131, 158.962], ['B', ' CB ', 221.132, 238.95, 159.322], ['B', ' CG ', 221.529, 239.361, 157.941], ['B', ' CD2', 222.729, 239.349, 157.317], ['B', ' ND1', 220.63, 239.878, 157.035], ['B', ' CE1', 221.259, 240.161, 155.909], ['B', ' NE2', 222.533, 239.847, 156.053]]
[['B', ' N ', 218.756, 236.993, 157.667], ['B', ' CA ', 218.589, 235.814, 156.82], ['B', ' C ', 218.309, 234.565, 157.657], ['B', ' O ', 219.062, 233.593, 157.651], ['B', ' CB ', 219.812, 235.611, 155.919], ['B', ' CG ', 219.818, 236.544, 154.724], ['B', ' OD1', 218.872, 237.346, 154.593], ['B', ' OD2', 220.768, 236.473, 153.916]]
[['B', ' N ', 217.207, 234.617, 158.395], ['B', ' CA ', 216.709, 233.441, 159.076], ['B', ' C ', 217.34, 233.124, 160.414], ['B', ' O ', 216.685, 232.535, 161.275]]
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[['B', ' N ', 221.668, 236.64, 165.253], ['B', ' CA ', 223.041, 237.027, 165.549], ['B', ' C ', 223.125, 237.596, 166.955], ['B', ' O ', 222.797, 238.757, 167.186], ['B', ' CB ', 223.526, 238.042, 164.526], ['B', ' CG ', 223.507, 237.535, 163.125], ['B', ' CD2', 222.523, 237.511, 162.2], ['B', ' ND1', 224.603, 236.951, 162.533], ['B', ' CE1', 224.298, 236.595, 161.3], ['B', ' NE2', 223.04, 236.922, 161.073]]
[['B', ' N ', 223.591, 236.792, 167.9], ['B', ' CA ', 223.828, 237.294, 169.239], ['B', ' C ', 225.096, 238.144, 169.271], ['B', ' O ', 225.983, 237.978, 168.437], ['B', ' CB ', 223.947, 236.135, 170.216], ['B', ' CG ', 222.659, 235.436, 170.477], ['B', ' CD1', 221.754, 235.95, 171.368], ['B', ' CD2', 222.361, 234.26, 169.84], ['B', ' CE1', 220.577, 235.308, 171.61], ['B', ' CE2', 221.184, 233.617, 170.083], ['B', ' CZ ', 220.291, 234.139, 170.97]]
[['B', ' N ', 225.215, 239.059, 170.236], ['B', ' CA ', 226.402, 239.916, 170.29], ['B', ' C ', 227.534, 239.284, 171.074], ['B', ' O ', 227.308, 238.783, 172.176], ['B', ' CB ', 225.888, 241.175, 170.991], ['B', ' CG ', 224.664, 240.742, 171.733], ['B', ' CD ', 224.316, 239.334, 171.362]]
[['B', ' N ', 228.751, 239.315, 170.529], ['B', ' CA ', 229.865, 238.615, 171.159], ['B', ' C ', 230.078, 239.092, 172.588], ['B', ' O ', 229.889, 238.335, 173.544], ['B', ' CB ', 231.135, 238.804, 170.337], ['B', ' CG ', 232.302, 237.989, 170.828], ['B', ' CD ', 233.243, 237.663, 169.692], ['B', ' NE ', 232.909, 236.389, 169.068], ['B', ' CZ ', 233.318, 236.024, 167.86], ['B', ' NH1', 234.075, 236.84, 167.143], ['B', ' NH2', 232.968, 234.845, 167.369]]
[['B', ' N ', 230.459, 240.354, 172.754], ['B', ' CA ', 230.597, 240.924, 174.094], ['B', ' C ', 230.176, 242.39, 174.001], ['B', ' O ', 230.98, 243.263, 173.672], ['B', ' CB ', 232.011, 240.772, 174.628], ['B', ' CG ', 232.096, 240.778, 176.146], ['B', ' CD ', 231.597, 239.486, 176.771], ['B', ' OE1', 230.445, 239.464, 177.252], ['B', ' OE2', 232.357, 238.495, 176.787]]
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[['B', ' N ', 223.477, 245.313, 171.787], ['B', ' CA ', 222.903, 246.032, 170.666], ['B', ' C ', 222.085, 247.2, 171.191], ['B', ' O ', 221.347, 247.066, 172.167], ['B', ' CB ', 222.016, 245.114, 169.832], ['B', ' CG ', 222.757, 244.023, 169.137], ['B', ' CD1', 223.833, 244.305, 168.339], ['B', ' CD2', 222.368, 242.711, 169.278], ['B', ' CE1', 224.512, 243.298, 167.697], ['B', ' CE2', 223.042, 241.705, 168.64], ['B', ' CZ ', 224.113, 241.998, 167.85]]
[['B', ' N ', 222.226, 248.357, 170.548], ['B', ' CA ', 221.461, 249.548, 170.886], ['B', ' C ', 221.09, 250.256, 169.593], ['B', ' O ', 221.58, 249.918, 168.516], ['B', ' CB ', 222.229, 250.496, 171.82], ['B', ' CG1', 222.353, 249.893, 173.193], ['B', ' CG2', 223.595, 250.761, 171.259]]
[['B', ' N ', 220.21, 251.249, 169.705], ['B', ' CA ', 219.682, 251.928, 168.53], ['B', ' C ', 219.593, 253.421, 168.794], ['B', ' O ', 219.928, 253.904, 169.877], ['B', ' CB ', 218.309, 251.382, 168.139], ['B', ' OG ', 217.296, 251.93, 168.953]]
[['B', ' N ', 219.139, 254.157, 167.777], ['B', ' CA ', 218.896, 255.589, 167.884], ['B', ' C ', 217.58, 256.037, 167.28], ['B', ' O ', 217.197, 257.193, 167.479], ['B', ' CB ', 220.014, 256.384, 167.208], ['B', ' CG ', 221.33, 256.182, 167.869], ['B', ' ND2', 221.432, 256.611, 169.119], ['B', ' OD1', 222.251, 255.628, 167.28]]
[['B', ' N ', 216.888, 255.178, 166.549], ['B', ' CA ', 215.674, 255.56, 165.869], ['B', ' C ', 215.696, 255.022, 164.459], ['B', ' O ', 214.655, 254.669, 163.898]]
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[['B', ' N ', 219.261, 253.551, 163.2], ['B', ' CA ', 220.434, 252.704, 163.09], ['B', ' C ', 220.482, 251.724, 164.257], ['B', ' O ', 219.669, 251.776, 165.179], ['B', ' CB ', 221.701, 253.559, 163.05], ['B', ' CG ', 221.68, 254.629, 162.004], ['B', ' CD2', 221.619, 254.558, 160.654], ['B', ' ND1', 221.743, 255.97, 162.314], ['B', ' CE1', 221.713, 256.68, 161.201], ['B', ' NE2', 221.64, 255.847, 160.179]]
[['B', ' N ', 221.451, 250.816, 164.201], ['B', ' CA ', 221.768, 249.938, 165.313], ['B', ' C ', 223.277, 249.767, 165.367], ['B', ' O ', 223.972, 249.941, 164.365], ['B', ' CB ', 221.095, 248.572, 165.184], ['B', ' CG ', 219.604, 248.595, 165.237], ['B', ' CD1', 218.759, 249.034, 164.269], ['B', ' CD2', 218.778, 248.126, 166.305], ['B', ' CE2', 217.448, 248.325, 165.92], ['B', ' CE3', 219.038, 247.563, 167.551], ['B', ' NE1', 217.459, 248.88, 164.671], ['B', ' CZ2', 216.387, 247.984, 166.73], ['B', ' CZ3', 217.983, 247.231, 168.353], ['B', ' CH2', 216.676, 247.44, 167.943]]
[['B', ' N ', 223.782, 249.417, 166.546], ['B', ' CA ', 225.216, 249.335, 166.773], ['B', ' C ', 225.489, 248.226, 167.776], ['B', ' O ', 224.583, 247.507, 168.193], ['B', ' CB ', 225.76, 250.672, 167.269], ['B', ' CG ', 225.444, 251.829, 166.368], ['B', ' CD1', 226.036, 251.937, 165.128], ['B', ' CD2', 224.561, 252.809, 166.762], ['B', ' CE1', 225.753, 252.989, 164.298], ['B', ' CE2', 224.281, 253.866, 165.935], ['B', ' CZ ', 224.875, 253.955, 164.703]]
[['B', ' N ', 226.752, 248.082, 168.163], ['B', ' CA ', 227.104, 247.144, 169.22], ['B', ' C ', 228.197, 247.729, 170.109], ['B', ' O ', 229.376, 247.754, 169.752], ['B', ' CB ', 227.47, 245.769, 168.622], ['B', ' CG1', 228.71, 245.829, 167.756], ['B', ' CG2', 227.658, 244.746, 169.721]]
[['B', ' N ', 227.805, 248.215, 171.28], ['B', ' CA ', 228.692, 248.96, 172.155], ['B', ' C ', 229.177, 248.085, 173.299], ['B', ' O ', 228.812, 246.919, 173.427], ['B', ' CB ', 227.985, 250.187, 172.72], ['B', ' CG2', 227.485, 251.054, 171.602], ['B', ' OG1', 226.861, 249.766, 173.497]]
[['B', ' N ', 229.998, 248.67, 174.157], ['B', ' CA ', 230.456, 247.993, 175.359], ['B', ' C ', 229.438, 248.225, 176.464], ['B', ' O ', 228.3, 248.627, 176.221], ['B', ' CB ', 231.839, 248.488, 175.765], ['B', ' CG ', 232.803, 248.652, 174.626], ['B', ' CD ', 233.783, 249.757, 174.89], ['B', ' NE2', 234.418, 250.247, 173.84], ['B', ' OE1', 233.95, 250.185, 176.025]]
[['B', ' N ', 229.836, 247.957, 177.699], ['B', ' CA ', 229.007, 248.218, 178.864], ['B', ' C ', 229.175, 249.626, 179.399], ['B', ' O ', 228.194, 250.354, 179.553], ['B', ' CB ', 229.38, 247.263, 179.988], ['B', ' CG ', 229.173, 245.832, 179.68], ['B', ' CD ', 227.759, 245.401, 179.799], ['B', ' NE ', 227.707, 244.047, 179.292], ['B', ' CZ ', 227.004, 243.077, 179.847], ['B', ' NH1', 226.294, 243.32, 180.942], ['B', ' NH2', 227.041, 241.864, 179.318]]
[['B', ' N ', 230.412, 250.007, 179.698], ['B', ' CA ', 230.72, 251.164, 180.517], ['B', ' C ', 231.182, 252.354, 179.698], ['B', ' O ', 231.747, 253.298, 180.255], ['B', ' CB ', 231.779, 250.781, 181.541], ['B', ' CG ', 231.461, 249.475, 182.223], ['B', ' ND2', 232.485, 248.677, 182.482], ['B', ' OD1', 230.302, 249.175, 182.493]]
[['B', ' N ', 230.972, 252.324, 178.392], ['B', ' CA ', 231.277, 253.456, 177.535], ['B', ' C ', 230.409, 253.324, 176.296], ['B', ' O ', 229.835, 252.268, 176.03], ['B', ' CB ', 232.76, 253.508, 177.177], ['B', ' CG ', 233.283, 254.89, 176.975], ['B', ' CD1', 233.622, 255.673, 178.053], ['B', ' CD2', 233.442, 255.402, 175.707], ['B', ' CE1', 234.101, 256.938, 177.871], ['B', ' CE2', 233.92, 256.668, 175.52], ['B', ' CZ ', 234.249, 257.437, 176.602]]
[['B', ' N ', 230.311, 254.409, 175.543], ['B', ' CA ', 229.515, 254.432, 174.325], ['B', ' C ', 230.45, 254.682, 173.148], ['B', ' O ', 230.633, 255.823, 172.72], ['B', ' CB ', 228.441, 255.483, 174.407], ['B', ' CG ', 227.573, 255.559, 173.184], ['B', ' CD1', 226.868, 254.458, 172.745], ['B', ' CD2', 227.474, 256.729, 172.458], ['B', ' CE1', 226.078, 254.524, 171.624], ['B', ' CE2', 226.691, 256.804, 171.335], ['B', ' CZ ', 225.996, 255.7, 170.924], ['B', ' OH ', 225.213, 255.78, 169.804]]
[['B', ' N ', 231.048, 253.612, 172.635], ['B', ' CA ', 231.678, 253.62, 171.317], ['B', ' C ', 230.909, 252.651, 170.439], ['B', ' O ', 231.099, 251.428, 170.547], ['B', ' CB ', 233.155, 253.239, 171.376], ['B', ' CG ', 234.09, 254.438, 171.472], ['B', ' CD ', 235.558, 254.058, 171.517], ['B', ' OE1', 235.866, 252.85, 171.491], ['B', ' OE2', 236.407, 254.972, 171.565]]
[['B', ' N ', 230.031, 253.132, 169.581], ['B', ' CA ', 229.229, 252.231, 168.755], ['B', ' C ', 229.888, 251.847, 167.444], ['B', ' O ', 230.068, 252.697, 166.569], ['B', ' CB ', 227.964, 253.051, 168.509], ['B', ' CG ', 228.402, 254.485, 168.64], ['B', ' CD ', 229.766, 254.537, 169.258]]
[['B', ' N ', 230.213, 250.574, 167.273], ['B', ' CA ', 230.736, 250.083, 166.01], ['B', ' C ', 229.566, 249.756, 165.09], ['B', ' O ', 228.426, 250.136, 165.352], ['B', ' CB ', 231.635, 248.875, 166.242], ['B', ' CG ', 233.041, 249.224, 166.66], ['B', ' CD ', 233.095, 249.799, 168.047], ['B', ' NE2', 232.563, 249.064, 169.011], ['B', ' OE1', 233.602, 250.899, 168.253]]
[['B', ' N ', 229.827, 249.049, 163.998], ['B', ' CA ', 228.78, 248.594, 163.093], ['B', ' C ', 228.716, 247.077, 163.152], ['B', ' O ', 229.751, 246.406, 163.199], ['B', ' CB ', 229.012, 249.087, 161.654], ['B', ' CG1', 228.568, 250.536, 161.53], ['B', ' CG2', 228.243, 248.249, 160.666], ['B', ' CD1', 227.09, 250.719, 161.74]]
[['B', ' N ', 227.496, 246.543, 163.168], ['B', ' CA ', 227.261, 245.111, 163.326], ['B', ' C ', 227.853, 244.399, 162.119], ['B', ' O ', 227.403, 244.605, 160.99], ['B', ' CB ', 225.771, 244.8, 163.455], ['B', ' CG1', 225.15, 245.594, 164.59], ['B', ' CG2', 225.587, 243.342, 163.748], ['B', ' CD1', 223.652, 245.576, 164.56]]
[['B', ' N ', 228.859, 243.564, 162.346], ['B', ' CA ', 229.437, 242.733, 161.305], ['B', ' C ', 229.589, 241.321, 161.839], ['B', ' O ', 229.453, 241.074, 163.038], ['B', ' CB ', 230.799, 243.255, 160.841], ['B', ' CG2', 230.726, 244.719, 160.474], ['B', ' OG1', 231.754, 243.082, 161.891]]
[['B', ' N ', 229.9, 240.382, 160.946], ['B', ' CA ', 230.191, 239.032, 161.41], ['B', ' C ', 231.626, 238.982, 161.905], ['B', ' O ', 232.394, 238.081, 161.559], ['B', ' CB ', 229.97, 238.0, 160.308], ['B', ' CG2', 228.587, 238.151, 159.715], ['B', ' OG1', 230.949, 238.18, 159.28]]
[['B', ' N ', 231.981, 239.965, 162.713], ['B', ' CA ', 233.16, 239.921, 163.552], ['B', ' C ', 232.844, 240.461, 164.935], ['B', ' O ', 233.722, 240.453, 165.802], ['B', ' CB ', 234.312, 240.72, 162.923], ['B', ' CG ', 235.069, 239.967, 161.872], ['B', ' CD2', 236.246, 239.3, 161.927], ['B', ' ND1', 234.627, 239.856, 160.572], ['B', ' CE1', 235.495, 239.146, 159.873], ['B', ' NE2', 236.487, 238.797, 160.671]]
[['B', ' N ', 231.62, 240.931, 165.16], ['B', ' CA ', 231.139, 241.306, 166.474], ['B', ' C ', 230.062, 240.369, 166.998], ['B', ' O ', 229.704, 240.466, 168.173], ['B', ' CB ', 230.574, 242.734, 166.453], ['B', ' CG ', 231.641, 243.793, 166.268], ['B', ' ND2', 232.541, 243.901, 167.235], ['B', ' OD1', 231.645, 244.519, 165.278]]
[['B', ' N ', 229.526, 239.482, 166.163], ['B', ' CA ', 228.365, 238.675, 166.511], ['B', ' C ', 228.61, 237.219, 166.147], ['B', ' O ', 229.278, 236.934, 165.149], ['B', ' CB ', 227.12, 239.176, 165.78], ['B', ' CG2', 226.991, 240.676, 165.9], ['B', ' OG1', 227.209, 238.826, 164.395]]
[['B', ' N ', 228.064, 236.299, 166.94], ['B', ' CA ', 228.144, 234.874, 166.646], ['B', ' C ', 226.751, 234.3, 166.439], ['B', ' O ', 225.848, 234.545, 167.241], ['B', ' CB ', 228.871, 234.112, 167.755], ['B', ' CG ', 228.138, 234.068, 169.064], ['B', ' CD1', 228.301, 235.071, 169.995], ['B', ' CD2', 227.318, 233.005, 169.38], ['B', ' CE1', 227.643, 235.024, 171.205], ['B', ' CE2', 226.662, 232.957, 170.585], ['B', ' CZ ', 226.826, 233.966, 171.497]]
[['B', ' N ', 226.583, 233.539, 165.362], ['B', ' CA ', 225.293, 232.94, 165.055], ['B', ' C ', 225.08, 231.704, 165.915], ['B', ' O ', 226.026, 230.961, 166.208], ['B', ' CB ', 225.22, 232.589, 163.563], ['B', ' CG1', 223.81, 232.276, 163.181], ['B', ' CG2', 225.761, 233.728, 162.732]]
[['B', ' N ', 223.835, 231.474, 166.335], ['B', ' CA ', 223.511, 230.285, 167.116], ['B', ' C ', 222.488, 229.392, 166.428], ['B', ' O ', 222.762, 228.208, 166.209], ['B', ' CB ', 222.992, 230.691, 168.493], ['B', ' OG ', 221.718, 231.284, 168.359]]
[['B', ' N ', 221.317, 229.92, 166.079], ['B', ' CA ', 220.238, 229.092, 165.576], ['B', ' C ', 219.26, 229.836, 164.694], ['B', ' O ', 219.669, 230.638, 163.854]]
[['B', ' N ', 217.967, 229.579, 164.869], ['B', ' CA ', 216.917, 230.204, 164.079], ['B', ' C ', 216.305, 231.381, 164.828], ['B', ' O ', 216.738, 231.759, 165.919], ['B', ' CB ', 215.837, 229.192, 163.694], ['B', ' CG ', 216.321, 228.186, 162.679], ['B', ' ND2', 215.946, 226.927, 162.867], ['B', ' OD1', 217.02, 228.536, 161.73]]
[['B', ' N ', 215.26, 231.944, 164.228], ['B', ' CA ', 214.771, 233.267, 164.583], ['B', ' C ', 213.336, 233.223, 165.086], ['B', ' O ', 212.506, 234.036, 164.67], ['B', ' CB ', 214.879, 234.187, 163.365], ['B', ' SG ', 214.652, 235.951, 163.658]]
[['B', ' N ', 213.022, 232.277, 165.944], ['B', ' CA ', 211.688, 232.271, 166.533], ['B', ' C ', 211.701, 232.116, 168.045], ['B', ' O ', 210.853, 232.701, 168.72], ['B', ' CB ', 210.845, 231.159, 165.899], ['B', ' CG ', 211.296, 229.779, 166.317], ['B', ' OD1', 210.944, 229.354, 167.436], ['B', ' OD2', 212.011, 229.122, 165.532]]
[['B', ' N ', 212.64, 231.34, 168.59], ['B', ' CA ', 212.611, 231.005, 170.011], ['B', ' C ', 212.907, 232.225, 170.875], ['B', ' O ', 212.33, 232.384, 171.957], ['B', ' CB ', 213.586, 229.853, 170.304], ['B', ' CG1', 213.115, 228.583, 169.637], ['B', ' CG2', 214.959, 230.203, 169.794]]
[['B', ' N ', 213.811, 233.096, 170.429], ['B', ' CA ', 214.214, 234.236, 171.241], ['B', ' C ', 213.064, 235.225, 171.353], ['B', ' O ', 212.41, 235.563, 170.358], ['B', ' CB ', 215.462, 234.9, 170.639], ['B', ' CG1', 215.863, 236.091, 171.46], ['B', ' CG2', 216.598, 233.907, 170.579]]
[['B', ' N ', 212.805, 235.691, 172.57], ['B', ' CA ', 211.738, 236.647, 172.842], ['B', ' C ', 212.339, 238.045, 172.813], ['B', ' O ', 213.265, 238.348, 173.571], ['B', ' CB ', 211.059, 236.36, 174.185], ['B', ' CG1', 210.218, 235.094, 174.08], ['B', ' CG2', 210.204, 237.531, 174.606], ['B', ' CD1', 209.169, 235.166, 173.003]]
[['B', ' N ', 211.804, 238.906, 171.953], ['B', ' CA ', 212.353, 240.227, 171.739], ['B', ' C ', 213.22, 240.359, 170.507], ['B', ' O ', 213.859, 241.401, 170.329]]
[['B', ' N ', 213.261, 239.336, 169.656], ['B', ' CA ', 214.071, 239.378, 168.449], ['B', ' C ', 213.624, 240.523, 167.551], ['B', ' O ', 212.427, 240.808, 167.42], ['B', ' CB ', 213.968, 238.021, 167.733], ['B', ' CG1', 214.94, 237.94, 166.568], ['B', ' CG2', 212.548, 237.753, 167.28], ['B', ' CD1', 216.354, 237.992, 166.983]]
[['B', ' N ', 214.591, 241.207, 166.941], ['B', ' CA ', 214.316, 242.223, 165.935], ['B', ' C ', 214.904, 241.763, 164.613], ['B', ' O ', 215.708, 240.837, 164.555], ['B', ' CB ', 214.879, 243.599, 166.311], ['B', ' CG1', 214.411, 243.989, 167.686], ['B', ' CG2', 216.38, 243.578, 166.234]]
[['B', ' N ', 214.504, 242.437, 163.543], ['B', ' CA ', 215.028, 242.161, 162.216], ['B', ' C ', 215.776, 243.382, 161.704], ['B', ' O ', 215.286, 244.509, 161.806], ['B', ' CB ', 213.914, 241.721, 161.259], ['B', ' CG ', 212.751, 242.683, 161.215], ['B', ' ND2', 211.712, 242.305, 160.483], ['B', ' OD1', 212.774, 243.745, 161.829]]
[['B', ' N ', 216.979, 243.155, 161.194], ['B', ' CA ', 217.864, 244.229, 160.779], ['B', ' C ', 218.765, 243.692, 159.672], ['B', ' O ', 218.46, 242.67, 159.051], ['B', ' CB ', 218.649, 244.762, 161.986], ['B', ' CG ', 219.022, 246.211, 161.84], ['B', ' ND2', 219.827, 246.703, 162.763], ['B', ' OD1', 218.61, 246.88, 160.898]]
[['B', ' N ', 219.865, 244.39, 159.41], ['B', ' CA ', 220.86, 243.978, 158.432], ['B', ' C ', 222.213, 243.886, 159.116], ['B', ' O ', 222.541, 244.718, 159.962], ['B', ' CB ', 220.925, 244.965, 157.271], ['B', ' CG2', 222.085, 244.644, 156.348], ['B', ' OG1', 219.704, 244.902, 156.529]]
[['B', ' N ', 222.996, 242.874, 158.755], ['B', ' CA ', 224.29, 242.626, 159.374], ['B', ' C ', 225.356, 242.623, 158.29], ['B', ' O ', 225.359, 241.751, 157.414], ['B', ' CB ', 224.293, 241.308, 160.151], ['B', ' CG1', 225.709, 240.893, 160.473], ['B', ' CG2', 223.463, 241.46, 161.4]]
[['B', ' N ', 226.27, 243.582, 158.37], ['B', ' CA ', 227.287, 243.776, 157.348], ['B', ' C ', 228.302, 242.643, 157.364], ['B', ' O ', 228.593, 242.066, 158.411], ['B', ' CB ', 227.969, 245.122, 157.578], ['B', ' CG ', 229.037, 245.515, 156.587], ['B', ' CD1', 228.707, 245.96, 155.317], ['B', ' CD2', 230.375, 245.516, 156.953], ['B', ' CE1', 229.684, 246.339, 154.421], ['B', ' CE2', 231.355, 245.897, 156.067], ['B', ' CZ ', 231.005, 246.306, 154.803], ['B', ' OH ', 231.983, 246.69, 153.92]]
[['B', ' N ', 228.827, 242.312, 156.189], ['B', ' CA ', 229.844, 241.276, 156.048], ['B', ' C ', 231.075, 241.867, 155.373], ['B', ' O ', 230.968, 242.384, 154.247], ['B', ' CB ', 229.31, 240.092, 155.246], ['B', ' CG ', 229.969, 238.791, 155.636], ['B', ' OD1', 230.307, 238.636, 156.827], ['B', ' OD2', 230.148, 237.921, 154.758]]
[['B', ' N ', 232.255, 241.809, 155.996], ['B', ' CA ', 233.39, 242.583, 155.473], ['B', ' C ', 233.979, 242.028, 154.19], ['B', ' O ', 234.541, 242.799, 153.404], ['B', ' CB ', 234.41, 242.536, 156.621], ['B', ' CG ', 233.725, 241.838, 157.765], ['B', ' CD ', 232.629, 241.022, 157.176]]
[['B', ' N ', 233.882, 240.721, 153.952], ['B', ' CA ', 234.525, 240.148, 152.776], ['B', ' C ', 233.746, 240.419, 151.497], ['B', ' O ', 234.329, 240.384, 150.41], ['B', ' CB ', 234.706, 238.643, 152.951], ['B', ' CG ', 235.28, 238.163, 154.281], ['B', ' CD1', 235.408, 236.652, 154.269], ['B', ' CD2', 236.618, 238.822, 154.564]]
[['B', ' N ', 232.442, 240.668, 151.599], ['B', ' CA ', 231.622, 240.813, 150.398], ['B', ' C ', 232.05, 241.978, 149.514], ['B', ' O ', 232.175, 241.778, 148.293], ['B', ' CB ', 230.146, 240.923, 150.79], ['B', ' CG ', 229.184, 240.859, 149.613], ['B', ' CD ', 228.972, 242.207, 148.955], ['B', ' NE2', 229.358, 242.314, 147.69], ['B', ' OE1', 228.471, 243.143, 149.577]]
[['B', ' N ', 232.285, 243.197, 150.024], ['B', ' CA ', 232.705, 244.278, 149.124], ['B', ' C ', 234.177, 244.192, 148.764], ['B', ' O ', 234.894, 245.198, 148.804], ['B', ' CB ', 232.408, 245.537, 149.942], ['B', ' CG ', 232.661, 245.1, 151.318], ['B', ' CD ', 232.089, 243.708, 151.393]]
[['B', ' N ', 234.637, 242.995, 148.414], ['B', ' CA ', 236.024, 242.78, 148.032], ['B', ' C ', 236.191, 241.913, 146.799], ['B', ' O ', 237.24, 241.999, 146.15], ['B', ' CB ', 236.807, 242.147, 149.193], ['B', ' CG ', 238.269, 242.561, 149.277], ['B', ' CD ', 238.461, 244.025, 149.64], ['B', ' OE1', 237.47, 244.701, 149.986], ['B', ' OE2', 239.614, 244.502, 149.586]]
[['B', ' N ', 235.206, 241.092, 146.448], ['B', ' CA ', 235.31, 240.211, 145.297], ['B', ' C ', 235.248, 240.954, 143.969], ['B', ' O ', 235.771, 240.448, 142.97], ['B', ' CB ', 234.199, 239.157, 145.342], ['B', ' CG ', 234.338, 237.974, 144.381], ['B', ' CD1', 235.529, 237.11, 144.765], ['B', ' CD2', 233.06, 237.151, 144.341]]
[['B', ' N ', 234.644, 242.141, 143.935], ['B', ' CA ', 234.464, 242.867, 142.685], ['B', ' C ', 235.768, 243.386, 142.096], ['B', ' O ', 235.783, 243.781, 140.925], ['B', ' CB ', 233.495, 244.033, 142.891], ['B', ' CG ', 232.045, 243.595, 142.861], ['B', ' OD1', 231.791, 242.394, 142.638], ['B', ' OD2', 231.159, 244.452, 143.06]]
[['B', ' N ', 236.852, 243.395, 142.864], ['B', ' CA ', 238.141, 243.857, 142.361], ['B', ' C ', 239.291, 243.254, 143.161], ['B', ' O ', 239.939, 243.941, 143.95], ['B', ' CB ', 238.217, 245.384, 142.4], ['B', ' OG ', 239.497, 245.841, 142.0]]
daq_score_w9.pdb
daq_score_atom_w9.pdb
Please open it in pymol and visualize it by putting the following command to Pymol:
----------------------------------------------------------------------------------------------------
spectrum b, red_white_blue, all, -1,1
----------------------------------------------------------------------------------------------------
INFO : STEP-0 DAQ Done
INFO: leave DAQ dir, enter DAQ_refine
Query Chain A
Match_columns 1191
No_of_seqs 330 out of 578
Neff 5.39932
Searched_HMMs 55448
Date Thu Sep 18 12:02:51 2025
UniRef30_2023_02
No Hit Prob E-value P-value Score SS Cols Query HMM Template HMM
1 UniRef100_A0A023NGM8 Spike gly 100.0 7E-293 2E-298 2610.7 0.0 1162 7-1191 40-1238(1305)
2 UniRef100_A0A6B9WHD3 Spike gly 100.0 5E-245 9E-251 2042.7 0.0 1191 1-1191 107-1300(1402)
3 UniRef100_A0A059SQG9 Spike gly 100.0 5E-238 1E-243 2027.4 0.0 1133 2-1191 41-1305(1369)
4 UniRef100_A0A023J7F0 Spike gly 100.0 4E-194 9E-200 1747.9 0.0 631 510-1191 843-1516(1590)
5 UniRef100_A0A023PLR7 Spike pro 100.0 2E-183 3E-189 1607.9 0.0 640 510-1190 424-1091(1183)
6 UniRef100_A0A077JJK7 Spike gly 100.0 6E-178 1E-183 1571.6 0.0 643 510-1191 685-1391(1458)
7 UniRef100_A0A077ERD3 S protein 100.0 2E-169 4E-175 1413.2 0.0 617 546-1190 5-675 (742)
8 UniRef100_A0A7S8R8N8 Spike pro 100.0 2E-168 3E-174 1386.5 0.0 783 403-1191 1-783 (848)
9 UniRef100_A0A1V0G2X7 Spike pro 100.0 7E-164 1E-169 1372.5 0.0 831 342-1191 2-932 (996)
10 UniRef100_A0A0U1WJW4 Spike gly 100.0 8E-164 2E-169 1431.5 0.0 836 247-1191 326-1176(1246)
11 UniRef100_A0A172Q3Q5 S2 protei 100.0 1E-163 3E-169 1376.2 0.0 536 637-1191 12-558 (632)
12 UniRef100_A0A166ZND9 Spike pro 100.0 4E-154 8E-160 1282.1 0.0 831 1-865 19-850 (852)
13 UniRef100_A0A1B0V2R4 Truncated 100.0 2E-128 4E-134 1076.0 0.0 868 7-892 41-983 (983)
14 UniRef100_A0A6G7KUJ6 Spike pro 100.0 5E-120 9E-126 1037.6 0.0 653 495-1191 698-1420(1492)
15 UniRef100_A0A0A1EBA0 Spike gly 100.0 2E-118 3E-124 1005.5 0.0 775 4-824 35-937 (937)
16 UniRef100_A0A068JC13 Spike pro 100.0 4E-113 8E-119 926.0 0.0 359 825-1190 3-396 (463)
17 UniRef100_A0A059XF70 Spike pro 100.0 2E-109 4E-115 874.9 0.0 350 697-1050 1-355 (356)
18 UniRef100_A0A077EXM1 S protein 100.0 1.8E-89 3.2E-95 700.0 0.0 263 809-1075 1-279 (297)
19 UniRef100_B2L0T8 Spike glycopr 100.0 6.9E-87 1.3E-92 741.4 0.0 427 511-975 428-872 (872)
20 UniRef100_Q6SRF2 Spike glycopr 100.0 1.8E-76 3.2E-82 629.1 0.0 424 3-440 21-444 (446)
21 UniRef100_A0A411PZD9 Spike (Fr 100.0 4E-76 7.3E-82 643.3 0.0 588 249-915 9-630 (631)
22 UniRef100_A0A411PZE7 Spike (Fr 100.0 1.8E-74 3.4E-80 641.1 0.0 587 250-915 200-820 (821)
23 UniRef100_A0A146AAK6 Spike pro 100.0 9E-74 1.7E-79 631.6 0.0 512 7-531 41-613 (613)
24 UniRef100_A0A1B0YTV9 Spike pro 100.0 4.5E-73 8.8E-79 568.8 0.0 194 834-1031 1-208 (210)
25 UniRef100_A0A096X736 Spike pro 100.0 1.2E-69 2.4E-75 567.4 0.0 217 971-1190 1-242 (287)
26 UniRef100_A0A6B9D8M7 S protein 100.0 4.8E-69 8.8E-75 555.6 0.0 255 934-1191 1-258 (319)
27 UniRef100_I6RE14 Spike protein 100.0 1.2E-68 2.2E-74 559.2 0.0 330 568-946 1-359 (360)
28 UniRef100_Q52R85 Spike protein 100.0 2.9E-64 5.3E-70 544.2 0.0 363 509-904 138-526 (526)
29 UniRef100_A0A6B9CZC3 S protein 100.0 1.5E-59 2.9E-65 514.5 0.0 395 3-437 30-455 (599)
30 UniRef100_A0A068B023 Spike pro 100.0 7.6E-59 1.5E-64 538.4 0.0 333 507-891 635-978 (978)
31 UniRef100_A0A0P0H4V9 Spike pro 100.0 3.6E-57 7.2E-63 478.2 0.0 294 86-412 2-300 (305)
32 UniRef100_UPI000A1C7A47 Spike 100.0 4.6E-54 9.4E-60 462.4 0.0 313 1-317 26-341 (351)
33 UniRef100_W5ZZU6 S protein (Fr 100.0 4.9E-53 8.9E-59 452.0 0.0 396 207-615 16-431 (442)
34 UniRef100_A0A2P1GNP6 Spike pro 100.0 1.6E-51 3E-57 463.2 0.0 472 692-1190 369-848 (906)
35 UniRef100_A0A0G2T197 Spike pro 100.0 6.3E-51 1.2E-56 441.5 0.0 406 348-765 1-511 (514)
36 UniRef100_UPI0000E11D80 Spike 100.0 9.8E-51 1.8E-56 423.9 0.0 278 299-576 36-313 (315)
37 UniRef100_A0A7D6LHD1 Non-struc 100.0 2.3E-49 4.9E-55 457.2 0.0 338 694-1060 362-712 (712)
38 UniRef100_Q6QHB0 Spike glycopr 100.0 5E-49 9.2E-55 402.6 0.0 272 93-373 1-272 (272)
39 UniRef100_W8PCB6 Spike protein 100.0 7.1E-48 1.3E-53 404.1 0.0 313 85-408 19-346 (347)
40 UniRef100_A0A0H3VDE9 Spike pro 100.0 1.2E-47 2.3E-53 410.7 0.0 298 2-334 30-351 (351)
41 UniRef100_A0A1L2ILV7 Spike gly 100.0 1.3E-46 2.3E-52 372.4 0.0 194 761-954 2-201 (202)
42 UniRef100_A0A0F7CYG7 Spike pro 100.0 5.1E-45 9.3E-51 367.9 0.0 200 728-930 1-225 (236)
43 UniRef100_A0A8K2ACR3 Nuclear e 100.0 8.1E-45 1.5E-50 395.8 0.0 237 289-525 2-238 (467)
44 UniRef100_A0A220F210 Spike pro 100.0 9.8E-45 1.8E-50 379.5 0.0 261 148-437 4-272 (333)
45 UniRef100_A0A7T6C1S9 Spike pro 100.0 2.5E-44 4.6E-50 374.5 0.0 298 251-556 2-314 (316)
46 UniRef100_A0A0B5GX78 Spike pro 100.0 2.9E-43 5.3E-49 382.0 0.0 366 304-681 1-470 (475)
47 UniRef100_A0A2U9I608 Spike pro 100.0 3.3E-43 6.1E-49 342.5 0.0 165 731-899 1-175 (175)
48 UniRef100_A0A6M6CD69 Spike gly 100.0 1.7E-42 3.1E-48 380.8 0.0 373 8-397 32-435 (582)
49 UniRef100_A0A0P0GRR3 Spike pro 100.0 4.7E-41 8.6E-47 338.3 0.0 219 156-397 6-226 (227)
50 UniRef100_A0A059XKM4 Spike pro 100.0 1E-40 1.8E-46 345.3 0.0 258 169-436 4-272 (291)
51 UniRef100_A0A024CI31 Spike pro 100.0 1.6E-38 3.3E-44 364.6 0.0 206 511-750 425-643 (644)
52 UniRef100_A0A096X762 Spike pro 100.0 9.6E-37 1.8E-42 282.3 0.0 111 975-1086 1-115 (115)
53 UniRef100_U5WHW8 Spike protein 100.0 3.9E-36 7.3E-42 306.0 0.0 224 346-587 2-225 (226)
54 UniRef100_X2CGA4 Spike protein 100.0 5.8E-36 1.1E-41 285.7 0.0 140 746-891 1-145 (145)
55 UniRef100_A0A2U9I5Y4 Spike pro 100.0 3.4E-35 6.3E-41 283.4 0.0 149 989-1138 2-156 (156)
56 UniRef100_A0A7G1PUB4 Spike pro 100.0 2.6E-34 5.2E-40 276.7 0.0 127 722-848 1-132 (133)
57 UniRef100_UPI00003B0AA1 E2 gly 100.0 1E-33 2.1E-39 275.9 0.0 86 886-971 3-88 (139)
58 UniRef100_UPI000A1C7A3E S prot 100.0 1.9E-33 3.5E-39 297.4 0.0 275 7-291 24-339 (342)
59 UniRef100_A0A2Z4KJM2 Spike gly 100.0 1.4E-32 2.5E-38 293.9 0.0 171 266-437 18-195 (380)
60 UniRef100_H9MFZ0 Spike protein 100.0 2.2E-32 4.1E-38 261.8 0.0 124 853-980 1-138 (138)
61 UniRef100_Q9WCD3 Surface glyco 99.9 6.4E-32 1.2E-37 253.7 0.0 126 822-951 1-126 (126)
62 UniRef100_A0A2P1G6J3 Spike gly 99.9 2.7E-30 5.3E-36 290.1 0.0 309 254-651 216-532 (532)
63 UniRef100_A0A499Q5S4 Spike (Fr 99.9 5.4E-30 1.1E-35 268.8 0.0 222 302-526 6-247 (251)
64 UniRef100_A0A8K2ACR3 Nuclear e 99.9 2.4E-29 4.5E-35 277.6 0.0 414 13-518 27-450 (467)
65 UniRef100_A0A514KFQ1 Spike pro 99.9 2.8E-26 5.2E-32 196.5 0.0 68 995-1062 1-68 (68)
66 UniRef100_A0A1V0CI80 Spike pro 99.9 7.7E-26 1.4E-31 214.7 0.0 122 761-882 2-129 (129)
67 UniRef100_Q5U8X2 S protein (Fr 99.9 1E-25 1.8E-31 221.1 0.0 117 1070-1189 1-122 (164)
68 UniRef100_A0A7M4C330 Spike pro 99.8 7.4E-25 1.4E-30 205.7 0.0 110 278-388 1-111 (112)
69 UniRef100_C8YZ70 Spike glycopr 99.8 2.5E-24 4.6E-30 227.0 0.0 266 469-768 14-295 (298)
70 UniRef100_UPI00108494E9 Spike 99.8 7.8E-24 1.5E-29 189.4 0.0 79 893-971 2-80 (80)
71 UniRef100_E9KKB9 S1 glycoprote 99.8 4.6E-22 8.5E-28 214.0 0.0 170 511-714 168-350 (350)
72 UniRef100_A0A6B9XCD3 Spike gly 99.8 8.9E-22 1.7E-27 211.0 0.0 217 357-573 2-317 (317)
73 UniRef100_A0A7T8EHU6 Spike gly 99.8 1.4E-21 2.5E-27 166.5 0.0 63 835-901 1-63 (63)
74 UniRef100_A7LIZ2 Spike protein 99.7 4.5E-21 8.3E-27 191.2 0.0 149 622-791 10-164 (175)
75 UniRef100_A0A077ERX2 S protein 99.7 7.4E-21 1.4E-26 194.1 0.0 119 1070-1190 4-143 (210)
76 UniRef100_A0A3S7SVT1 Spike pro 99.7 1.8E-20 3.6E-26 216.5 0.0 309 250-609 201-518 (591)
77 UniRef100_A0A7D6LHD1 Non-struc 99.7 6.2E-20 1.3E-25 218.6 0.0 283 290-582 358-676 (712)
78 UniRef100_H9MG45 Spike protein 99.6 2.9E-19 5.4E-25 172.3 0.0 95 863-961 1-109 (133)
79 UniRef100_A0A4P2V557 Spike pro 99.6 4.7E-19 8.6E-25 182.2 0.0 185 501-697 23-217 (217)
80 UniRef100_E1U195 Spike glycopr 99.6 4.2E-18 7.7E-24 176.7 0.0 197 8-230 3-213 (229)
81 UniRef100_UPI002240E4F8 Spike 99.6 4.2E-18 8E-24 179.1 0.0 126 895-1024 1-126 (242)
82 UniRef100_B0FG42 Spike protein 99.6 5.8E-18 1.1E-23 164.1 0.0 96 1094-1190 2-115 (122)
83 UniRef100_M1PF06 Spike glycopr 99.6 6.2E-18 1.1E-23 173.8 0.0 108 330-437 1-114 (211)
84 UniRef100_UPI002240E4F8 Spike 99.5 6.6E-17 1.3E-22 170.6 0.0 81 893-973 153-233 (242)
85 UniRef100_A0A7D6LHD1 Non-struc 99.4 2.3E-16 4.8E-22 189.7 0.0 261 1-278 362-648 (712)
86 UniRef100_Q6QJ40 Spike protein 99.4 4.5E-16 8.2E-22 155.9 0.0 125 3-132 21-145 (165)
87 UniRef100_UPI001FBC14EB SARS-C 99.4 6E-16 1.1E-21 163.6 0.0 75 897-971 183-257 (257)
88 UniRef100_T2BB95 S protein (Fr 99.4 8.5E-16 1.6E-21 162.0 0.0 168 7-177 41-241 (250)
89 UniRef100_UPI0008A09DF1 Spike 99.4 1.5E-15 2.8E-21 153.6 0.0 159 319-511 6-169 (176)
90 UniRef100_A0A0A7X7R5 Spike gly 99.3 8.1E-15 1.6E-20 160.4 0.0 98 510-611 188-293 (303)
91 UniRef100_T2KR30 Spike protein 99.2 1E-13 1.8E-19 114.7 0.0 48 839-890 1-48 (48)
92 UniRef100_E2DNU6 Spike glycopr 99.2 1.6E-13 2.9E-19 158.1 0.0 165 505-712 427-596 (596)
93 UniRef100_A0A088DJH4 BetaCoV S 99.2 1.7E-13 3.1E-19 154.4 0.0 245 31-287 61-322 (451)
94 UniRef100_A0A0A1EHX8 Spike gly 99.1 3.1E-13 5.7E-19 135.5 0.0 82 511-596 64-153 (155)
95 UniRef100_A0A6M8NL89 Surface g 99.1 5.6E-13 1E-18 129.9 0.0 120 569-688 2-121 (126)
96 UniRef100_A0A098GJU2 Spike pro 99.1 6.3E-13 1.2E-18 119.2 0.0 56 785-840 17-74 (74)
97 UniRef100_UPI0021506BE2 Spike 99.0 1.7E-12 3.2E-18 138.4 0.0 55 900-954 1-55 (250)
98 UniRef100_UPI0022656F4D Spike 99.0 4.4E-12 8E-18 131.5 0.0 102 319-421 7-108 (194)
99 UniRef100_UPI001CFC46DE Spike 98.7 1.5E-10 2.7E-16 101.5 0.0 50 900-949 7-56 (61)
100 UniRef100_UPI000BA9F96C Spike 98.7 2.6E-10 4.7E-16 101.3 0.0 62 761-822 4-65 (65)
101 UniRef100_UPI000D724CD3 Spike 98.6 5.9E-10 1.1E-15 112.8 0.0 55 901-955 1-69 (148)
102 UniRef100_A0A140HEV6 Spike pro 98.6 6E-10 1.1E-15 126.1 0.0 72 511-582 313-392 (397)
103 UniRef100_A0A0U4CKH3 Truncated 98.6 6E-10 1.1E-15 116.5 0.0 119 512-661 51-174 (190)
104 UniRef100_I3QKR4 Spike glycopr 98.6 6.6E-10 1.3E-15 137.2 0.0 85 509-599 672-756 (808)
105 UniRef100_UPI00006C21F1 Spike 98.5 1.2E-09 2.2E-15 94.5 0.0 50 1142-1191 3-52 (55)
106 UniRef100_A0A0A7DYL7 S1 protei 98.5 1.8E-09 3.4E-15 120.6 0.0 116 511-656 188-308 (339)
107 UniRef100_A0A2H4N6M1 Spike pro 98.3 9.9E-09 1.8E-14 120.9 0.0 152 512-705 423-580 (580)
108 UniRef100_A0A2H5ACN4 Spike pro 98.2 1.4E-08 3E-14 98.1 0.0 57 1131-1190 7-77 (84)
109 UniRef100_A0A075THU5 Spike pro 98.2 2.1E-08 3.9E-14 104.4 0.0 99 5-104 37-146 (172)
110 UniRef100_B2BGX7 Spike protein 98.2 2.1E-08 3.9E-14 97.7 0.0 99 532-640 1-100 (107)
111 UniRef100_E5Q348 Spike protein 98.2 2.5E-08 4.5E-14 90.6 0.0 45 685-731 25-69 (69)
112 UniRef100_C3S0H5 Spike protein 98.2 2.8E-08 5.2E-14 92.4 0.0 72 1104-1176 1-76 (76)
113 UniRef100_UPI0021506BE2 Spike 98.1 4.6E-08 8.5E-14 106.8 0.0 57 898-954 96-152 (250)
114 UniRef100_T2KSE6 Spike protein 98.1 7.7E-08 1.4E-13 78.0 0.0 30 841-870 3-32 (37)
115 UniRef100_A0A5B7M0Y4 Spike pro 98.0 9E-08 1.6E-13 104.4 0.0 75 500-574 164-242 (242)
116 UniRef100_UPI0021506BE2 Spike 98.0 1.2E-07 2.3E-13 103.8 0.0 54 898-951 193-246 (250)
117 UniRef100_UPI0000D79C3D E2 gly 98.0 1.4E-07 2.6E-13 87.7 0.0 39 927-965 1-39 (77)
118 UniRef100_A0A2H5ACN2 Spike pro 97.9 2.9E-07 5.7E-13 83.2 0.0 41 1144-1185 5-59 (59)
119 UniRef100_D3GDW7 Spike glycopr 97.8 5.2E-07 9.6E-13 91.9 0.0 98 6-104 18-126 (130)
120 UniRef100_A0A076ML67 Spike pro 97.8 6.3E-07 1.2E-12 97.9 0.0 69 511-580 149-217 (231)
121 UniRef100_A0A3Q8M6B4 Spike pro 97.7 7.4E-07 1.4E-12 70.7 0.0 32 855-890 1-32 (32)
122 UniRef100_A0A6M5WM48 Spike pro 97.4 8.2E-06 1.6E-11 65.9 0.0 32 848-883 1-32 (32)
123 UniRef100_I3QKB4 Spike protein 97.2 1.9E-05 3.4E-11 81.0 0.0 59 511-570 70-128 (128)
124 UniRef100_UPI0000ED4E97 Spike 97.1 3.1E-05 5.7E-11 77.7 0.0 47 909-955 12-58 (109)
125 UniRef100_A0A173G2R2 Spike pro 96.9 7.9E-05 1.4E-10 70.1 0.0 54 560-615 6-59 (71)
126 UniRef100_A0A6B9UZ41 Surface g 96.9 9E-05 1.7E-10 61.1 0.0 34 378-411 2-35 (35)
127 UniRef100_D3GDG1 S protein (Fr 96.9 9.8E-05 1.8E-10 73.5 0.0 77 5-82 6-85 (100)
128 UniRef100_UPI0021506BE2 Spike 95.5 0.0074 1.4E-08 69.7 0.0 52 1134-1187 42-93 (250)
129 UniRef100_A0A7D6QGV8 Non-struc 93.1 0.17 3.2E-07 67.3 0.0 194 305-506 592-807 (890)
130 UniRef100_A0A7D6QGV8 Non-struc 92.8 0.22 4E-07 66.5 0.0 197 13-228 601-806 (890)
131 UniRef100_A0A089FJG8 VP1 (Frag 91.6 0.44 8.3E-07 59.4 0.0 197 13-229 55-262 (323)
132 UniRef100_A0A1L3KJ41 S protein 89.0 1.1 2.3E-06 63.9 0.0 152 916-1076 683-834 (986)
133 UniRef100_A0A1E2YE46 Heat shoc 85.4 3.1 5.8E-06 46.4 0.0 40 934-973 62-105 (117)
134 UniRef100_A0A9D4KXP1 Uncharact 83.9 4.3 7.8E-06 58.6 0.0 114 882-997 979-1097(1690)
135 UniRef100_A0A0G2J7V5 Uncharact 82.4 5.4 1E-05 44.9 0.0 41 933-973 67-111 (122)
136 UniRef100_A0A8T7GN55 Carboxype 79.5 7.7 1.5E-05 52.5 0.0 83 908-992 265-350 (452)
137 UniRef100_A0A256Z473 Uncharact 79.3 6 1.5E-05 55.2 0.0 57 911-971 234-290 (434)
138 UniRef100_A0A177RC14 Uncharact 76.9 8.1 2.1E-05 52.7 0.0 81 892-972 80-169 (350)
139 UniRef100_A0A089FJG8 VP1 (Frag 71.7 18 3.5E-05 47.4 0.0 182 305-494 46-240 (323)
140 UniRef100_A0A2A4V052 Uroporphy 69.6 17 4.2E-05 51.7 0.0 113 874-1006 75-210 (443)
141 UniRef100_A0A024TLL1 SUN domai 64.5 32 6.3E-05 48.1 0.0 71 950-1020 404-475 (505)
142 UniRef100_A0A8T7GN55 Carboxype 64.2 33 6.4E-05 47.7 0.0 103 913-1025 224-326 (452)
143 UniRef100_A0A1H3SEM7 Uncharact 63.5 29 6.8E-05 53.6 0.0 84 914-1003 410-497 (1073)
144 UniRef100_A0A0M6WZY7 Methyl-ac 60.3 37 8.5E-05 50.4 0.0 108 904-1014 303-420 (629)
145 UniRef100_A0A099T2B5 Flagella 56.8 51 0.00011 46.7 0.0 96 878-973 160-267 (424)
146 UniRef100_A0A966KEI6 Uncharact 56.1 60 0.00011 40.5 0.0 33 958-990 77-114 (185)
147 UniRef100_A0A086WSP0 histidine 55.3 43 0.00012 52.3 0.0 113 904-1016 556-675 (947)
148 UniRef100_A0A084IMX3 Flagellar 54.7 47 0.00012 49.3 0.0 121 885-1009 362-491 (562)
149 UniRef100_A0A522D5R2 Methyl-ac 53.9 66 0.00013 48.2 0.0 105 904-1011 557-671 (895)
150 UniRef100_A0A0M9AIM7 HAMP doma 53.7 54 0.00013 49.6 0.0 104 900-1014 469-609 (686)
151 UniRef100_A0A0G0AQN9 Uncharact 53.0 60 0.00014 45.1 0.0 63 909-971 251-317 (323)
152 UniRef100_A0A060VPW2 Collectin 52.9 63 0.00014 50.1 0.0 111 898-1010 386-526 (1003)
153 UniRef100_A0A0P0N112 Uncharact 52.5 70 0.00014 48.1 0.0 73 875-950 690-768 (872)
154 UniRef100_A0A2P8VZ13 DUF1887 d 51.8 66 0.00015 47.9 0.0 97 874-978 40-139 (615)
155 UniRef100_UPI00138F4D11 hypoth 51.0 84 0.00015 46.1 0.0 124 894-1017 140-270 (917)
156 UniRef100_A0A1Q4RPT1 Uncharact 47.4 88 0.00019 48.2 0.0 47 906-952 328-374 (844)
157 UniRef100_A0A508A1J1 t-SNARE c 46.0 1E+02 0.00021 38.6 0.0 105 898-1004 5-126 (151)
158 UniRef100_A0A2M8PPH2 HAMP doma 43.5 1.2E+02 0.00024 42.4 0.0 116 858-973 210-330 (374)
159 UniRef100_A0A0F2QXD1 Chromosom 43.0 90 0.00025 43.6 0.0 94 880-973 86-203 (303)
160 UniRef100_A0A2K8N635 DUF1664 d 42.9 1.3E+02 0.00025 36.0 0.0 62 911-972 28-92 (123)
161 UniRef100_A0A073J5Y1 Mitochond 42.8 93 0.00025 46.3 0.0 49 946-994 256-311 (504)
162 UniRef100_A0A2M7CHH4 t-SNARE c 42.3 1.4E+02 0.00026 36.9 0.0 50 942-991 80-129 (155)
163 UniRef100_A0A161VQZ0 Uncharact 42.1 1.3E+02 0.00026 45.3 0.0 65 906-971 117-181 (625)
164 UniRef100_A0A9C9Z8J7 Uncharact 40.2 1.5E+02 0.00029 41.2 0.0 115 904-1018 37-158 (333)
165 UniRef100_A0A108TBW5 Chromosom 40.2 1.4E+02 0.00029 46.7 0.0 115 884-1002 371-521 (906)
SANT- 40.2 1.5E+02 0.00029 41.6 0.0 88 918-1006 297-386 (389)
167 UniRef100_A0A0P9EFA1 Phospholi 39.7 1.2E+02 0.0003 43.5 0.0 51 951-1001 266-318 (346)
168 UniRef100_A0A0K1E1L9 ABC-type 39.4 1.3E+02 0.00031 44.6 0.0 66 924-995 357-425 (457)
169 UniRef100_A0A662RX13 CARDB dom 39.0 1.7E+02 0.00032 42.6 0.0 68 944-1015 526-597 (679)
170 UniRef100_A0A258DE44 Methyl-ac 39.0 1.4E+02 0.00032 46.2 0.0 113 902-1014 268-389 (758)
171 UniRef100_A0A3N5X3Q3 Methyl-ac 38.9 1.4E+02 0.00032 46.1 0.0 75 903-977 389-466 (731)
172 UniRef100_A0A1H6XRX4 RHS repea 38.6 1.8E+02 0.00032 35.9 0.0 58 1131-1188 54-111 (143)
173 UniRef100_A0A2D0RDU5 Collectin 38.4 1.7E+02 0.00033 46.3 0.0 111 898-1011 286-427 (1287)
174 UniRef100_A0A010PRF4 DNA repai 38.2 1.2E+02 0.00033 48.2 0.0 113 899-1013 364-481 (871)
MobD 38.2 1.6E+02 0.00033 36.8 0.0 75 926-1001 10-92 (130)
176 UniRef100_A0A2E1ED93 DUF4164 d 38.2 1.7E+02 0.00033 36.9 0.0 78 914-999 62-139 (149)
177 UniRef100_A0A0F2JE98 Methyl-ac 38.1 1.2E+02 0.00033 47.9 0.0 20 904-923 387-406 (843)
178 UniRef100_A0A090J3L6 Fungal li 37.2 1.4E+02 0.00035 44.9 0.0 85 929-1017 409-505 (543)
MlaD 37.0 1.3E+02 0.00036 45.2 0.0 80 896-975 160-241 (528)
180 UniRef100_A0A971D0U2 MBG domai 36.9 1.9E+02 0.00036 44.2 0.0 112 884-998 439-560 (1073)
181 UniRef100_A0A066V366 Laminin d 35.2 1.7E+02 0.0004 44.1 0.0 82 884-965 331-414 (534)
182 UniRef100_A0A7V1ZE80 Uncharact 35.1 2.2E+02 0.0004 33.8 0.0 84 889-976 12-98 (106)
183 UniRef100_A0A2G6FCF6 Uncharact 35.0 1.6E+02 0.0004 42.6 0.0 92 917-1012 176-273 (368)
184 UniRef100_A0A143BML1 t-SNARE c 34.9 1.6E+02 0.00041 43.1 0.0 67 916-982 216-285 (405)
185 UniRef100_A0A087R1U4 Biogenesi 34.8 2E+02 0.00041 37.6 0.0 52 963-1014 115-172 (187)
186 UniRef100_A0A930IBI9 DUF2150 f 34.4 2E+02 0.00042 41.3 0.0 123 881-1012 32-155 (350)
187 UniRef100_A0A0B5QD04 Methyl-ac 34.4 1.4E+02 0.00042 46.5 0.0 99 905-1010 386-484 (716)
188 UniRef100_A0A063YYS5 Chemotaxi 34.2 1.6E+02 0.00042 45.2 0.0 209 801-1014 124-378 (608)
189 UniRef100_A0A010R662 Structura 34.1 1.7E+02 0.00043 50.1 0.0 126 862-1005 1224-1352(2106)
190 UniRef100_A0A0S2I2D1 Methyl-ac 34.0 1.7E+02 0.00043 44.9 0.0 101 904-1012 276-384 (596)
191 UniRef100_A0A430R550 SLH domai 33.9 2.1E+02 0.00043 41.4 0.0 81 918-998 169-260 (391)
192 UniRef100_A0A0Q6XJR0 DUF1983 d 33.5 2.1E+02 0.00044 44.3 0.0 84 889-972 151-234 (810)
193 UniRef100_A0A2J6GZL6 Methyl-ac 33.5 2E+02 0.00044 43.9 0.0 112 897-1013 261-387 (597)
194 UniRef100_A0A0G0TBH6 Glycosyl 33.2 1.9E+02 0.00045 46.4 0.0 88 884-976 247-337 (1006)
195 UniRef100_A0A090YQR3 Methyl-ac 33.2 1.6E+02 0.00045 44.5 0.0 58 904-965 188-245 (534)
196 UniRef100_A0A085M0A3 Laminin G 33.1 2.1E+02 0.00045 48.7 0.0 90 926-1019 1125-1225(2260)
197 UniRef100_A0A3M6V1P6 NACHT dom 32.7 2.4E+02 0.00046 46.3 0.0 123 894-1016 174-317 (2630)
198 UniRef100_A0A7M7G110 SUN domai 32.7 2.1E+02 0.00047 47.0 0.0 93 882-974 1096-1188(1404)
199 UniRef100_A0A022NAV7 Phage inf 32.5 2.1E+02 0.00047 46.5 0.0 18 1088-1105 829-846 (1158)
TolQ 32.3 1.8E+02 0.00048 45.2 0.0 88 881-968 349-441 (654)
201 UniRef100_A0A1Y5DYU7 Methyl-ac 32.3 2E+02 0.00048 43.7 0.0 60 904-963 231-297 (524)
202 UniRef100_A0A1G3KZN6 Methyl-ac 32.0 1.7E+02 0.00049 46.5 0.0 140 875-1015 430-585 (842)
203 UniRef100_A0A011T934 DNA repai 30.9 1.7E+02 0.00052 45.4 0.0 20 899-918 280-299 (685)
204 UniRef100_A0A1H7ZF10 Methyl-ac 30.3 2.6E+02 0.00054 42.4 0.0 70 903-976 303-372 (585)
205 UniRef100_A0A058ZLS1 Mitochond 30.2 1.9E+02 0.00054 43.6 0.0 26 949-974 254-279 (503)
206 UniRef100_A0A2T7PEL7 C-type le 30.2 2.1E+02 0.00055 45.2 0.0 36 936-971 396-431 (751)
207 UniRef100_A0A2G1ZU66 PAS domai 30.1 2.7E+02 0.00055 39.5 0.0 66 901-970 175-240 (318)
208 UniRef100_A0A022LC25 Phage inf 30.0 2.1E+02 0.00055 46.2 0.0 47 908-954 343-389 (914)
209 UniRef100_A0A1W9RT00 Methyl-ac 29.8 2.7E+02 0.00056 42.9 0.0 58 904-965 338-395 (672)
210 UniRef100_A0A0L6W2M0 Methyl-ac 29.6 2.8E+02 0.00057 42.2 0.0 64 917-980 224-290 (615)
211 UniRef100_A0A0B7BK04 Laminin s 29.2 2.4E+02 0.00058 50.1 0.0 130 880-1014 1815-1962(2999)
212 UniRef100_A0A1V4QXH2 t-SNARE c 29.2 3.2E+02 0.00058 35.2 0.0 105 893-1001 12-117 (177)
213 UniRef100_A0A6G0MKR0 Uncharact 29.1 3E+02 0.00059 36.6 0.0 97 881-986 58-155 (203)
214 UniRef100_A0A0Q2M686 DUF4226 d 28.7 2.5E+02 0.0006 42.9 0.0 106 919-1027 91-200 (529)
215 UniRef100_A0A6M4JDI9 Uncharact 28.7 3.1E+02 0.0006 41.4 0.0 44 1130-1173 263-307 (642)
216 UniRef100_A0A1F7F3E7 Chemotaxi 28.4 2.3E+02 0.00061 44.7 0.0 62 904-965 402-466 (734)
217 UniRef100_A0A074J9P9 Mitochond 28.4 2.2E+02 0.00061 43.5 0.0 24 850-873 201-224 (535)
218 UniRef100_A0A1E5FZ23 Chemotaxi 28.1 2.4E+02 0.00063 44.4 0.0 83 904-986 378-464 (707)
219 UniRef100_A0A6P4XPV2 Protein C 28.1 3.3E+02 0.00063 39.8 0.0 122 896-1026 40-161 (477)
220 UniRef100_A0A256Z473 Uncharact 28.1 2.4E+02 0.00063 42.1 0.0 58 946-1013 223-280 (434)
221 UniRef100_A0A023D339 Paraquat- 27.9 2.2E+02 0.00063 42.2 0.0 56 904-961 214-269 (423)
222 UniRef100_A0A1B6B8Z2 Methyl-ac 27.3 3.2E+02 0.00066 42.6 0.0 110 904-1013 393-509 (717)
223 UniRef100_A0A0B5QVB4 Methyl-ac 26.5 2.9E+02 0.0007 43.6 0.0 69 904-972 392-491 (717)
224 UniRef100_A0A090ECA4 Uncharact 26.3 2.5E+02 0.00071 42.2 0.0 76 899-974 184-259 (453)
225 UniRef100_A0A0E0UD06 Transmemb 25.7 3.3E+02 0.00074 41.4 0.0 101 923-1023 297-426 (500)
226 UniRef100_A0A0C1QQS9 Uncharact 25.3 3.2E+02 0.00076 43.4 0.0 42 877-918 80-128 (735)
227 UniRef100_A0A1T5BHF6 Two compo 25.3 3.1E+02 0.00076 45.1 0.0 80 895-974 833-912 (1089)
228 UniRef100_A0A6G7PUM8 HAMP doma 25.2 3.8E+02 0.00076 41.3 0.0 70 901-970 241-320 (656)
229 UniRef100_A0A0A2SF03 Chemotaxi 25.0 2.7E+02 0.00077 43.2 0.0 62 904-969 264-325 (596)
230 UniRef100_A0A0H4PKB4 Methyl-ac 24.9 3.4E+02 0.00078 40.8 0.0 105 908-1016 301-413 (439)
231 UniRef100_A0A0A8WMI4 Methyl-ac 24.1 3.1E+02 0.00083 43.8 0.0 107 907-1020 533-645 (746)
232 UniRef100_A0A3N2E798 peptidylp 23.9 3.8E+02 0.00084 41.4 0.0 130 883-1015 104-239 (569)
233 UniRef100_A0A101X814 Uncharact 23.8 3.9E+02 0.00085 40.5 0.0 27 887-913 15-41 (481)
234 UniRef100_A0A0K8MB15 Mce relat 23.3 3.4E+02 0.00088 39.6 0.0 97 897-999 187-291 (332)
235 UniRef100_A0A1A9R797 Phage tai 23.2 3.3E+02 0.00088 44.5 0.0 114 880-994 317-443 (932)
236 UniRef100_A0A017RUL3 Methyl-ac 23.2 2.9E+02 0.00088 43.9 0.0 65 907-975 589-653 (764)
237 UniRef100_A0A088F0Z2 CAP-Gly p 23.1 3.4E+02 0.00089 40.5 0.0 41 977-1017 274-314 (396)
238 UniRef100_A0A017RYD0 Methyl-ac 23.0 3.5E+02 0.00089 42.2 0.0 138 875-1016 211-365 (578)
239 UniRef100_A0A7C9QUS5 Uncharact 23.0 4.6E+02 0.00089 39.6 0.0 125 880-1005 235-380 (550)
240 UniRef100_UPI00187D7964 glycin 23.0 4.7E+02 0.0009 38.7 0.0 63 932-994 322-386 (478)
241 UniRef100_UPI0011DD142E hypoth 23.0 4.7E+02 0.0009 34.6 0.0 73 1101-1182 101-176 (186)
242 UniRef100_A0A108TBW5 Chromosom 22.9 4.2E+02 0.0009 42.7 0.0 105 898-1002 322-448 (906)
243 UniRef100_A0A0B7BK04 Laminin s 22.9 3.7E+02 0.0009 48.4 0.0 43 973-1016 1838-1880(2999)
244 UniRef100_A0A1G0YMZ8 DUF4175 d 22.8 3.4E+02 0.00091 44.6 0.0 72 947-1030 743-816 (962)
245 UniRef100_A0A7J4DUH4 V-type AT 22.8 4.6E+02 0.00091 32.8 0.0 53 917-969 14-67 (116)
246 UniRef100_A0A0C5VVM8 Chromosom 22.4 3.9E+02 0.00094 39.2 0.0 93 881-981 148-269 (340)
247 UniRef100_A0A084JNG3 Phage inf 22.4 3.8E+02 0.00094 42.9 0.0 72 904-975 299-374 (744)
248 UniRef100_A0A349B9T4 Uncharact 22.2 4.8E+02 0.00095 38.1 0.0 166 895-1069 140-322 (386)
249 UniRef100_A0A090ZUN6 Methyl-ac 22.2 3.2E+02 0.00096 42.8 0.0 58 904-965 277-334 (643)
250 UniRef100_A0A174RCF4 Septal ri 22.1 3.5E+02 0.00096 40.7 0.0 98 882-987 58-156 (429)
251 UniRef100_A0A1C5N4E2 Uncharact 21.8 4.1E+02 0.00098 38.1 0.0 85 922-1011 156-251 (282)
252 UniRef100_A0A3M6UUT1 Uncharact 21.6 4.5E+02 0.00099 37.4 0.0 46 928-973 67-112 (262)
253 UniRef100_A0A0A8X4T6 Uncharact 21.3 3.6E+02 0.001 38.5 0.0 87 882-973 45-132 (284)
254 UniRef100_A0A0K8JGA3 Methyl-ac 21.2 4.3E+02 0.001 40.5 0.0 185 835-1034 119-323 (481)
255 UniRef100_A0A258GQ73 Peptidogl 21.1 4.9E+02 0.001 43.4 0.0 78 898-975 416-500 (1310)
256 UniRef100_A0A0S3TX49 Uncharact 21.1 4E+02 0.001 42.8 0.0 68 902-977 176-244 (750)
257 UniRef100_A0A1Y0IFL3 50S ribos 21.1 3.9E+02 0.001 38.7 0.0 63 912-974 188-250 (309)
258 UniRef100_A0A5C8JGQ5 Phage tai 20.7 4.8E+02 0.0011 42.6 0.0 81 890-973 601-681 (923)
259 UniRef100_A0A1F3DI85 Uncharact 20.7 4.7E+02 0.0011 33.4 0.0 60 1120-1182 41-104 (119)
260 UniRef100_A0A0F5ASV0 Chemotaxi 20.5 4.4E+02 0.0011 39.7 0.0 101 904-1005 92-214 (410)
261 UniRef100_A0A068Z5M4 Type III 20.4 4.7E+02 0.0011 41.7 0.0 144 884-1027 119-309 (679)
262 UniRef100_A0A0E4GBT4 Methyl-ac 20.4 3.9E+02 0.0011 41.1 0.0 58 904-965 145-202 (508)
263 UniRef100_A0A2A5NXX2 t-SNARE c 20.3 4.8E+02 0.0011 33.4 0.0 37 937-973 21-57 (120)
Query Chain A
Match_columns 1191
No_of_seqs 330 out of 578
Neff 5.39932
Searched_HMMs 55448
Date Thu Sep 18 12:11:23 2025
UniRef30_2023_02
No Hit Prob E-value P-value Score SS Cols Query HMM Template HMM
1 UniRef100_A0A023NGM8 Spike gly 100.0 7E-293 2E-298 2610.7 0.0 1162 7-1191 40-1238(1305)
2 UniRef100_A0A6B9WHD3 Spike gly 100.0 5E-245 9E-251 2042.7 0.0 1191 1-1191 107-1300(1402)
3 UniRef100_A0A059SQG9 Spike gly 100.0 5E-238 1E-243 2027.4 0.0 1133 2-1191 41-1305(1369)
4 UniRef100_A0A023J7F0 Spike gly 100.0 4E-194 9E-200 1747.9 0.0 631 510-1191 843-1516(1590)
5 UniRef100_A0A023PLR7 Spike pro 100.0 2E-183 3E-189 1607.9 0.0 640 510-1190 424-1091(1183)
6 UniRef100_A0A077JJK7 Spike gly 100.0 6E-178 1E-183 1571.6 0.0 643 510-1191 685-1391(1458)
7 UniRef100_A0A077ERD3 S protein 100.0 2E-169 4E-175 1413.2 0.0 617 546-1190 5-675 (742)
8 UniRef100_A0A7S8R8N8 Spike pro 100.0 2E-168 3E-174 1386.5 0.0 783 403-1191 1-783 (848)
9 UniRef100_A0A1V0G2X7 Spike pro 100.0 7E-164 1E-169 1372.5 0.0 831 342-1191 2-932 (996)
10 UniRef100_A0A0U1WJW4 Spike gly 100.0 8E-164 2E-169 1431.5 0.0 836 247-1191 326-1176(1246)
11 UniRef100_A0A172Q3Q5 S2 protei 100.0 1E-163 3E-169 1376.2 0.0 536 637-1191 12-558 (632)
12 UniRef100_A0A166ZND9 Spike pro 100.0 4E-154 8E-160 1282.1 0.0 831 1-865 19-850 (852)
13 UniRef100_A0A1B0V2R4 Truncated 100.0 2E-128 4E-134 1076.0 0.0 868 7-892 41-983 (983)
14 UniRef100_A0A6G7KUJ6 Spike pro 100.0 5E-120 9E-126 1037.6 0.0 653 495-1191 698-1420(1492)
15 UniRef100_A0A0A1EBA0 Spike gly 100.0 2E-118 3E-124 1005.5 0.0 775 4-824 35-937 (937)
16 UniRef100_A0A068JC13 Spike pro 100.0 4E-113 8E-119 926.0 0.0 359 825-1190 3-396 (463)
17 UniRef100_A0A059XF70 Spike pro 100.0 2E-109 4E-115 874.9 0.0 350 697-1050 1-355 (356)
18 UniRef100_A0A077EXM1 S protein 100.0 1.8E-89 3.2E-95 700.0 0.0 263 809-1075 1-279 (297)
19 UniRef100_B2L0T8 Spike glycopr 100.0 6.9E-87 1.3E-92 741.4 0.0 427 511-975 428-872 (872)
20 UniRef100_Q6SRF2 Spike glycopr 100.0 1.8E-76 3.2E-82 629.1 0.0 424 3-440 21-444 (446)
21 UniRef100_A0A411PZD9 Spike (Fr 100.0 4E-76 7.3E-82 643.3 0.0 588 249-915 9-630 (631)
22 UniRef100_A0A411PZE7 Spike (Fr 100.0 1.8E-74 3.4E-80 641.1 0.0 587 250-915 200-820 (821)
23 UniRef100_A0A146AAK6 Spike pro 100.0 9E-74 1.7E-79 631.6 0.0 512 7-531 41-613 (613)
24 UniRef100_A0A1B0YTV9 Spike pro 100.0 4.5E-73 8.8E-79 568.8 0.0 194 834-1031 1-208 (210)
25 UniRef100_A0A096X736 Spike pro 100.0 1.2E-69 2.4E-75 567.4 0.0 217 971-1190 1-242 (287)
26 UniRef100_A0A6B9D8M7 S protein 100.0 4.8E-69 8.8E-75 555.6 0.0 255 934-1191 1-258 (319)
27 UniRef100_I6RE14 Spike protein 100.0 1.2E-68 2.2E-74 559.2 0.0 330 568-946 1-359 (360)
28 UniRef100_Q52R85 Spike protein 100.0 2.9E-64 5.3E-70 544.2 0.0 363 509-904 138-526 (526)
29 UniRef100_A0A6B9CZC3 S protein 100.0 1.5E-59 2.9E-65 514.5 0.0 395 3-437 30-455 (599)
30 UniRef100_A0A068B023 Spike pro 100.0 7.6E-59 1.5E-64 538.4 0.0 333 507-891 635-978 (978)
31 UniRef100_A0A0P0H4V9 Spike pro 100.0 3.6E-57 7.2E-63 478.2 0.0 294 86-412 2-300 (305)
32 UniRef100_UPI000A1C7A47 Spike 100.0 4.6E-54 9.4E-60 462.4 0.0 313 1-317 26-341 (351)
33 UniRef100_W5ZZU6 S protein (Fr 100.0 4.9E-53 8.9E-59 452.0 0.0 396 207-615 16-431 (442)
34 UniRef100_A0A2P1GNP6 Spike pro 100.0 1.6E-51 3E-57 463.2 0.0 472 692-1190 369-848 (906)
35 UniRef100_A0A0G2T197 Spike pro 100.0 6.3E-51 1.2E-56 441.5 0.0 406 348-765 1-511 (514)
36 UniRef100_UPI0000E11D80 Spike 100.0 9.8E-51 1.8E-56 423.9 0.0 278 299-576 36-313 (315)
37 UniRef100_A0A7D6LHD1 Non-struc 100.0 2.3E-49 4.9E-55 457.2 0.0 338 694-1060 362-712 (712)
38 UniRef100_Q6QHB0 Spike glycopr 100.0 5E-49 9.2E-55 402.6 0.0 272 93-373 1-272 (272)
39 UniRef100_W8PCB6 Spike protein 100.0 7.1E-48 1.3E-53 404.1 0.0 313 85-408 19-346 (347)
40 UniRef100_A0A0H3VDE9 Spike pro 100.0 1.2E-47 2.3E-53 410.7 0.0 298 2-334 30-351 (351)
41 UniRef100_A0A1L2ILV7 Spike gly 100.0 1.3E-46 2.3E-52 372.4 0.0 194 761-954 2-201 (202)
42 UniRef100_A0A0F7CYG7 Spike pro 100.0 5.1E-45 9.3E-51 367.9 0.0 200 728-930 1-225 (236)
43 UniRef100_A0A8K2ACR3 Nuclear e 100.0 8.1E-45 1.5E-50 395.8 0.0 237 289-525 2-238 (467)
44 UniRef100_A0A220F210 Spike pro 100.0 9.8E-45 1.8E-50 379.5 0.0 261 148-437 4-272 (333)
45 UniRef100_A0A7T6C1S9 Spike pro 100.0 2.5E-44 4.6E-50 374.5 0.0 298 251-556 2-314 (316)
46 UniRef100_A0A0B5GX78 Spike pro 100.0 2.9E-43 5.3E-49 382.0 0.0 366 304-681 1-470 (475)
47 UniRef100_A0A2U9I608 Spike pro 100.0 3.3E-43 6.1E-49 342.5 0.0 165 731-899 1-175 (175)
48 UniRef100_A0A6M6CD69 Spike gly 100.0 1.7E-42 3.1E-48 380.8 0.0 373 8-397 32-435 (582)
49 UniRef100_A0A0P0GRR3 Spike pro 100.0 4.7E-41 8.6E-47 338.3 0.0 219 156-397 6-226 (227)
50 UniRef100_A0A059XKM4 Spike pro 100.0 1E-40 1.8E-46 345.3 0.0 258 169-436 4-272 (291)
51 UniRef100_A0A024CI31 Spike pro 100.0 1.6E-38 3.3E-44 364.6 0.0 206 511-750 425-643 (644)
52 UniRef100_A0A096X762 Spike pro 100.0 9.6E-37 1.8E-42 282.3 0.0 111 975-1086 1-115 (115)
53 UniRef100_U5WHW8 Spike protein 100.0 3.9E-36 7.3E-42 306.0 0.0 224 346-587 2-225 (226)
54 UniRef100_X2CGA4 Spike protein 100.0 5.8E-36 1.1E-41 285.7 0.0 140 746-891 1-145 (145)
55 UniRef100_A0A2U9I5Y4 Spike pro 100.0 3.4E-35 6.3E-41 283.4 0.0 149 989-1138 2-156 (156)
56 UniRef100_A0A7G1PUB4 Spike pro 100.0 2.6E-34 5.2E-40 276.7 0.0 127 722-848 1-132 (133)
57 UniRef100_UPI00003B0AA1 E2 gly 100.0 1E-33 2.1E-39 275.9 0.0 86 886-971 3-88 (139)
58 UniRef100_UPI000A1C7A3E S prot 100.0 1.9E-33 3.5E-39 297.4 0.0 275 7-291 24-339 (342)
59 UniRef100_A0A2Z4KJM2 Spike gly 100.0 1.4E-32 2.5E-38 293.9 0.0 171 266-437 18-195 (380)
60 UniRef100_H9MFZ0 Spike protein 100.0 2.2E-32 4.1E-38 261.8 0.0 124 853-980 1-138 (138)
61 UniRef100_Q9WCD3 Surface glyco 99.9 6.4E-32 1.2E-37 253.7 0.0 126 822-951 1-126 (126)
62 UniRef100_A0A2P1G6J3 Spike gly 99.9 2.7E-30 5.3E-36 290.1 0.0 309 254-651 216-532 (532)
63 UniRef100_A0A499Q5S4 Spike (Fr 99.9 5.4E-30 1.1E-35 268.8 0.0 222 302-526 6-247 (251)
64 UniRef100_A0A8K2ACR3 Nuclear e 99.9 2.4E-29 4.5E-35 277.6 0.0 414 13-518 27-450 (467)
65 UniRef100_A0A514KFQ1 Spike pro 99.9 2.8E-26 5.2E-32 196.5 0.0 68 995-1062 1-68 (68)
66 UniRef100_A0A1V0CI80 Spike pro 99.9 7.7E-26 1.4E-31 214.7 0.0 122 761-882 2-129 (129)
67 UniRef100_Q5U8X2 S protein (Fr 99.9 1E-25 1.8E-31 221.1 0.0 117 1070-1189 1-122 (164)
68 UniRef100_A0A7M4C330 Spike pro 99.8 7.4E-25 1.4E-30 205.7 0.0 110 278-388 1-111 (112)
69 UniRef100_C8YZ70 Spike glycopr 99.8 2.5E-24 4.6E-30 227.0 0.0 266 469-768 14-295 (298)
70 UniRef100_UPI00108494E9 Spike 99.8 7.8E-24 1.5E-29 189.4 0.0 79 893-971 2-80 (80)
71 UniRef100_E9KKB9 S1 glycoprote 99.8 4.6E-22 8.5E-28 214.0 0.0 170 511-714 168-350 (350)
72 UniRef100_A0A6B9XCD3 Spike gly 99.8 8.9E-22 1.7E-27 211.0 0.0 217 357-573 2-317 (317)
73 UniRef100_A0A7T8EHU6 Spike gly 99.8 1.4E-21 2.5E-27 166.5 0.0 63 835-901 1-63 (63)
74 UniRef100_A7LIZ2 Spike protein 99.7 4.5E-21 8.3E-27 191.2 0.0 149 622-791 10-164 (175)
75 UniRef100_A0A077ERX2 S protein 99.7 7.4E-21 1.4E-26 194.1 0.0 119 1070-1190 4-143 (210)
76 UniRef100_A0A3S7SVT1 Spike pro 99.7 1.8E-20 3.6E-26 216.5 0.0 309 250-609 201-518 (591)
77 UniRef100_A0A7D6LHD1 Non-struc 99.7 6.2E-20 1.3E-25 218.6 0.0 283 290-582 358-676 (712)
78 UniRef100_H9MG45 Spike protein 99.6 2.9E-19 5.4E-25 172.3 0.0 95 863-961 1-109 (133)
79 UniRef100_A0A4P2V557 Spike pro 99.6 4.7E-19 8.6E-25 182.2 0.0 185 501-697 23-217 (217)
80 UniRef100_E1U195 Spike glycopr 99.6 4.2E-18 7.7E-24 176.7 0.0 197 8-230 3-213 (229)
81 UniRef100_UPI002240E4F8 Spike 99.6 4.2E-18 8E-24 179.1 0.0 126 895-1024 1-126 (242)
82 UniRef100_B0FG42 Spike protein 99.6 5.8E-18 1.1E-23 164.1 0.0 96 1094-1190 2-115 (122)
83 UniRef100_M1PF06 Spike glycopr 99.6 6.2E-18 1.1E-23 173.8 0.0 108 330-437 1-114 (211)
84 UniRef100_UPI002240E4F8 Spike 99.5 6.6E-17 1.3E-22 170.6 0.0 81 893-973 153-233 (242)
85 UniRef100_A0A7D6LHD1 Non-struc 99.4 2.3E-16 4.8E-22 189.7 0.0 261 1-278 362-648 (712)
86 UniRef100_Q6QJ40 Spike protein 99.4 4.5E-16 8.2E-22 155.9 0.0 125 3-132 21-145 (165)
87 UniRef100_UPI001FBC14EB SARS-C 99.4 6E-16 1.1E-21 163.6 0.0 75 897-971 183-257 (257)
88 UniRef100_T2BB95 S protein (Fr 99.4 8.5E-16 1.6E-21 162.0 0.0 168 7-177 41-241 (250)
89 UniRef100_UPI0008A09DF1 Spike 99.4 1.5E-15 2.8E-21 153.6 0.0 159 319-511 6-169 (176)
90 UniRef100_A0A0A7X7R5 Spike gly 99.3 8.1E-15 1.6E-20 160.4 0.0 98 510-611 188-293 (303)
91 UniRef100_T2KR30 Spike protein 99.2 1E-13 1.8E-19 114.7 0.0 48 839-890 1-48 (48)
92 UniRef100_E2DNU6 Spike glycopr 99.2 1.6E-13 2.9E-19 158.1 0.0 165 505-712 427-596 (596)
93 UniRef100_A0A088DJH4 BetaCoV S 99.2 1.7E-13 3.1E-19 154.4 0.0 245 31-287 61-322 (451)
94 UniRef100_A0A0A1EHX8 Spike gly 99.1 3.1E-13 5.7E-19 135.5 0.0 82 511-596 64-153 (155)
95 UniRef100_A0A6M8NL89 Surface g 99.1 5.6E-13 1E-18 129.9 0.0 120 569-688 2-121 (126)
96 UniRef100_A0A098GJU2 Spike pro 99.1 6.3E-13 1.2E-18 119.2 0.0 56 785-840 17-74 (74)
97 UniRef100_UPI0021506BE2 Spike 99.0 1.7E-12 3.2E-18 138.4 0.0 55 900-954 1-55 (250)
98 UniRef100_UPI0022656F4D Spike 99.0 4.4E-12 8E-18 131.5 0.0 102 319-421 7-108 (194)
99 UniRef100_UPI001CFC46DE Spike 98.7 1.5E-10 2.7E-16 101.5 0.0 50 900-949 7-56 (61)
100 UniRef100_UPI000BA9F96C Spike 98.7 2.6E-10 4.7E-16 101.3 0.0 62 761-822 4-65 (65)
101 UniRef100_UPI000D724CD3 Spike 98.6 5.9E-10 1.1E-15 112.8 0.0 55 901-955 1-69 (148)
102 UniRef100_A0A140HEV6 Spike pro 98.6 6E-10 1.1E-15 126.1 0.0 72 511-582 313-392 (397)
103 UniRef100_A0A0U4CKH3 Truncated 98.6 6E-10 1.1E-15 116.5 0.0 119 512-661 51-174 (190)
104 UniRef100_I3QKR4 Spike glycopr 98.6 6.6E-10 1.3E-15 137.2 0.0 85 509-599 672-756 (808)
105 UniRef100_UPI00006C21F1 Spike 98.5 1.2E-09 2.2E-15 94.5 0.0 50 1142-1191 3-52 (55)
106 UniRef100_A0A0A7DYL7 S1 protei 98.5 1.8E-09 3.4E-15 120.6 0.0 116 511-656 188-308 (339)
107 UniRef100_A0A2H4N6M1 Spike pro 98.3 9.9E-09 1.8E-14 120.9 0.0 152 512-705 423-580 (580)
108 UniRef100_A0A2H5ACN4 Spike pro 98.2 1.4E-08 3E-14 98.1 0.0 57 1131-1190 7-77 (84)
109 UniRef100_A0A075THU5 Spike pro 98.2 2.1E-08 3.9E-14 104.4 0.0 99 5-104 37-146 (172)
110 UniRef100_B2BGX7 Spike protein 98.2 2.1E-08 3.9E-14 97.7 0.0 99 532-640 1-100 (107)
111 UniRef100_E5Q348 Spike protein 98.2 2.5E-08 4.5E-14 90.6 0.0 45 685-731 25-69 (69)
112 UniRef100_C3S0H5 Spike protein 98.2 2.8E-08 5.2E-14 92.4 0.0 72 1104-1176 1-76 (76)
113 UniRef100_UPI0021506BE2 Spike 98.1 4.6E-08 8.5E-14 106.8 0.0 57 898-954 96-152 (250)
114 UniRef100_T2KSE6 Spike protein 98.1 7.7E-08 1.4E-13 78.0 0.0 30 841-870 3-32 (37)
115 UniRef100_A0A5B7M0Y4 Spike pro 98.0 9E-08 1.6E-13 104.4 0.0 75 500-574 164-242 (242)
116 UniRef100_UPI0021506BE2 Spike 98.0 1.2E-07 2.3E-13 103.8 0.0 54 898-951 193-246 (250)
117 UniRef100_UPI0000D79C3D E2 gly 98.0 1.4E-07 2.6E-13 87.7 0.0 39 927-965 1-39 (77)
118 UniRef100_A0A2H5ACN2 Spike pro 97.9 2.9E-07 5.7E-13 83.2 0.0 41 1144-1185 5-59 (59)
119 UniRef100_D3GDW7 Spike glycopr 97.8 5.2E-07 9.6E-13 91.9 0.0 98 6-104 18-126 (130)
120 UniRef100_A0A076ML67 Spike pro 97.8 6.3E-07 1.2E-12 97.9 0.0 69 511-580 149-217 (231)
121 UniRef100_A0A3Q8M6B4 Spike pro 97.7 7.4E-07 1.4E-12 70.7 0.0 32 855-890 1-32 (32)
122 UniRef100_A0A6M5WM48 Spike pro 97.4 8.2E-06 1.6E-11 65.9 0.0 32 848-883 1-32 (32)
123 UniRef100_I3QKB4 Spike protein 97.2 1.9E-05 3.4E-11 81.0 0.0 59 511-570 70-128 (128)
124 UniRef100_UPI0000ED4E97 Spike 97.1 3.1E-05 5.7E-11 77.7 0.0 47 909-955 12-58 (109)
125 UniRef100_A0A173G2R2 Spike pro 96.9 7.9E-05 1.4E-10 70.1 0.0 54 560-615 6-59 (71)
126 UniRef100_A0A6B9UZ41 Surface g 96.9 9E-05 1.7E-10 61.1 0.0 34 378-411 2-35 (35)
127 UniRef100_D3GDG1 S protein (Fr 96.9 9.8E-05 1.8E-10 73.5 0.0 77 5-82 6-85 (100)
128 UniRef100_UPI0021506BE2 Spike 95.5 0.0074 1.4E-08 69.7 0.0 52 1134-1187 42-93 (250)
129 UniRef100_A0A7D6QGV8 Non-struc 93.1 0.17 3.2E-07 67.3 0.0 194 305-506 592-807 (890)
130 UniRef100_A0A7D6QGV8 Non-struc 92.8 0.22 4E-07 66.5 0.0 197 13-228 601-806 (890)
131 UniRef100_A0A089FJG8 VP1 (Frag 91.6 0.44 8.3E-07 59.4 0.0 197 13-229 55-262 (323)
132 UniRef100_A0A1L3KJ41 S protein 89.0 1.1 2.3E-06 63.9 0.0 152 916-1076 683-834 (986)
133 UniRef100_A0A1E2YE46 Heat shoc 85.4 3.1 5.8E-06 46.4 0.0 40 934-973 62-105 (117)
134 UniRef100_A0A9D4KXP1 Uncharact 83.9 4.3 7.8E-06 58.6 0.0 114 882-997 979-1097(1690)
135 UniRef100_A0A0G2J7V5 Uncharact 82.4 5.4 1E-05 44.9 0.0 41 933-973 67-111 (122)
136 UniRef100_A0A8T7GN55 Carboxype 79.5 7.7 1.5E-05 52.5 0.0 83 908-992 265-350 (452)
137 UniRef100_A0A256Z473 Uncharact 79.3 6 1.5E-05 55.2 0.0 57 911-971 234-290 (434)
138 UniRef100_A0A177RC14 Uncharact 76.9 8.1 2.1E-05 52.7 0.0 81 892-972 80-169 (350)
139 UniRef100_A0A089FJG8 VP1 (Frag 71.7 18 3.5E-05 47.4 0.0 182 305-494 46-240 (323)
140 UniRef100_A0A2A4V052 Uroporphy 69.6 17 4.2E-05 51.7 0.0 113 874-1006 75-210 (443)
141 UniRef100_A0A024TLL1 SUN domai 64.5 32 6.3E-05 48.1 0.0 71 950-1020 404-475 (505)
142 UniRef100_A0A8T7GN55 Carboxype 64.2 33 6.4E-05 47.7 0.0 103 913-1025 224-326 (452)
143 UniRef100_A0A1H3SEM7 Uncharact 63.5 29 6.8E-05 53.6 0.0 84 914-1003 410-497 (1073)
144 UniRef100_A0A0M6WZY7 Methyl-ac 60.3 37 8.5E-05 50.4 0.0 108 904-1014 303-420 (629)
145 UniRef100_A0A099T2B5 Flagella 56.8 51 0.00011 46.7 0.0 96 878-973 160-267 (424)
146 UniRef100_A0A966KEI6 Uncharact 56.1 60 0.00011 40.5 0.0 33 958-990 77-114 (185)
147 UniRef100_A0A086WSP0 histidine 55.3 43 0.00012 52.3 0.0 113 904-1016 556-675 (947)
148 UniRef100_A0A084IMX3 Flagellar 54.7 47 0.00012 49.3 0.0 121 885-1009 362-491 (562)
149 UniRef100_A0A522D5R2 Methyl-ac 53.9 66 0.00013 48.2 0.0 105 904-1011 557-671 (895)
150 UniRef100_A0A0M9AIM7 HAMP doma 53.7 54 0.00013 49.6 0.0 104 900-1014 469-609 (686)
151 UniRef100_A0A0G0AQN9 Uncharact 53.0 60 0.00014 45.1 0.0 63 909-971 251-317 (323)
152 UniRef100_A0A060VPW2 Collectin 52.9 63 0.00014 50.1 0.0 111 898-1010 386-526 (1003)
153 UniRef100_A0A0P0N112 Uncharact 52.5 70 0.00014 48.1 0.0 73 875-950 690-768 (872)
154 UniRef100_A0A2P8VZ13 DUF1887 d 51.8 66 0.00015 47.9 0.0 97 874-978 40-139 (615)
155 UniRef100_UPI00138F4D11 hypoth 51.0 84 0.00015 46.1 0.0 124 894-1017 140-270 (917)
156 UniRef100_A0A1Q4RPT1 Uncharact 47.4 88 0.00019 48.2 0.0 47 906-952 328-374 (844)
157 UniRef100_A0A508A1J1 t-SNARE c 46.0 1E+02 0.00021 38.6 0.0 105 898-1004 5-126 (151)
158 UniRef100_A0A2M8PPH2 HAMP doma 43.5 1.2E+02 0.00024 42.4 0.0 116 858-973 210-330 (374)
159 UniRef100_A0A0F2QXD1 Chromosom 43.0 90 0.00025 43.6 0.0 94 880-973 86-203 (303)
160 UniRef100_A0A2K8N635 DUF1664 d 42.9 1.3E+02 0.00025 36.0 0.0 62 911-972 28-92 (123)
161 UniRef100_A0A073J5Y1 Mitochond 42.8 93 0.00025 46.3 0.0 49 946-994 256-311 (504)
162 UniRef100_A0A2M7CHH4 t-SNARE c 42.3 1.4E+02 0.00026 36.9 0.0 50 942-991 80-129 (155)
163 UniRef100_A0A161VQZ0 Uncharact 42.1 1.3E+02 0.00026 45.3 0.0 65 906-971 117-181 (625)
164 UniRef100_A0A9C9Z8J7 Uncharact 40.2 1.5E+02 0.00029 41.2 0.0 115 904-1018 37-158 (333)
165 UniRef100_A0A108TBW5 Chromosom 40.2 1.4E+02 0.00029 46.7 0.0 115 884-1002 371-521 (906)
SANT- 40.2 1.5E+02 0.00029 41.6 0.0 88 918-1006 297-386 (389)
167 UniRef100_A0A0P9EFA1 Phospholi 39.7 1.2E+02 0.0003 43.5 0.0 51 951-1001 266-318 (346)
168 UniRef100_A0A0K1E1L9 ABC-type 39.4 1.3E+02 0.00031 44.6 0.0 66 924-995 357-425 (457)
169 UniRef100_A0A662RX13 CARDB dom 39.0 1.7E+02 0.00032 42.6 0.0 68 944-1015 526-597 (679)
170 UniRef100_A0A258DE44 Methyl-ac 39.0 1.4E+02 0.00032 46.2 0.0 113 902-1014 268-389 (758)
171 UniRef100_A0A3N5X3Q3 Methyl-ac 38.9 1.4E+02 0.00032 46.1 0.0 75 903-977 389-466 (731)
172 UniRef100_A0A1H6XRX4 RHS repea 38.6 1.8E+02 0.00032 35.9 0.0 58 1131-1188 54-111 (143)
173 UniRef100_A0A2D0RDU5 Collectin 38.4 1.7E+02 0.00033 46.3 0.0 111 898-1011 286-427 (1287)
174 UniRef100_A0A010PRF4 DNA repai 38.2 1.2E+02 0.00033 48.2 0.0 113 899-1013 364-481 (871)
MobD 38.2 1.6E+02 0.00033 36.8 0.0 75 926-1001 10-92 (130)
176 UniRef100_A0A2E1ED93 DUF4164 d 38.2 1.7E+02 0.00033 36.9 0.0 78 914-999 62-139 (149)
177 UniRef100_A0A0F2JE98 Methyl-ac 38.1 1.2E+02 0.00033 47.9 0.0 20 904-923 387-406 (843)
178 UniRef100_A0A090J3L6 Fungal li 37.2 1.4E+02 0.00035 44.9 0.0 85 929-1017 409-505 (543)
MlaD 37.0 1.3E+02 0.00036 45.2 0.0 80 896-975 160-241 (528)
180 UniRef100_A0A971D0U2 MBG domai 36.9 1.9E+02 0.00036 44.2 0.0 112 884-998 439-560 (1073)
181 UniRef100_A0A066V366 Laminin d 35.2 1.7E+02 0.0004 44.1 0.0 82 884-965 331-414 (534)
182 UniRef100_A0A7V1ZE80 Uncharact 35.1 2.2E+02 0.0004 33.8 0.0 84 889-976 12-98 (106)
183 UniRef100_A0A2G6FCF6 Uncharact 35.0 1.6E+02 0.0004 42.6 0.0 92 917-1012 176-273 (368)
184 UniRef100_A0A143BML1 t-SNARE c 34.9 1.6E+02 0.00041 43.1 0.0 67 916-982 216-285 (405)
185 UniRef100_A0A087R1U4 Biogenesi 34.8 2E+02 0.00041 37.6 0.0 52 963-1014 115-172 (187)
186 UniRef100_A0A930IBI9 DUF2150 f 34.4 2E+02 0.00042 41.3 0.0 123 881-1012 32-155 (350)
187 UniRef100_A0A0B5QD04 Methyl-ac 34.4 1.4E+02 0.00042 46.5 0.0 99 905-1010 386-484 (716)
188 UniRef100_A0A063YYS5 Chemotaxi 34.2 1.6E+02 0.00042 45.2 0.0 209 801-1014 124-378 (608)
189 UniRef100_A0A010R662 Structura 34.1 1.7E+02 0.00043 50.1 0.0 126 862-1005 1224-1352(2106)
190 UniRef100_A0A0S2I2D1 Methyl-ac 34.0 1.7E+02 0.00043 44.9 0.0 101 904-1012 276-384 (596)
191 UniRef100_A0A430R550 SLH domai 33.9 2.1E+02 0.00043 41.4 0.0 81 918-998 169-260 (391)
192 UniRef100_A0A0Q6XJR0 DUF1983 d 33.5 2.1E+02 0.00044 44.3 0.0 84 889-972 151-234 (810)
193 UniRef100_A0A2J6GZL6 Methyl-ac 33.5 2E+02 0.00044 43.9 0.0 112 897-1013 261-387 (597)
194 UniRef100_A0A0G0TBH6 Glycosyl 33.2 1.9E+02 0.00045 46.4 0.0 88 884-976 247-337 (1006)
195 UniRef100_A0A090YQR3 Methyl-ac 33.2 1.6E+02 0.00045 44.5 0.0 58 904-965 188-245 (534)
196 UniRef100_A0A085M0A3 Laminin G 33.1 2.1E+02 0.00045 48.7 0.0 90 926-1019 1125-1225(2260)
197 UniRef100_A0A3M6V1P6 NACHT dom 32.7 2.4E+02 0.00046 46.3 0.0 123 894-1016 174-317 (2630)
198 UniRef100_A0A7M7G110 SUN domai 32.7 2.1E+02 0.00047 47.0 0.0 93 882-974 1096-1188(1404)
199 UniRef100_A0A022NAV7 Phage inf 32.5 2.1E+02 0.00047 46.5 0.0 18 1088-1105 829-846 (1158)
TolQ 32.3 1.8E+02 0.00048 45.2 0.0 88 881-968 349-441 (654)
201 UniRef100_A0A1Y5DYU7 Methyl-ac 32.3 2E+02 0.00048 43.7 0.0 60 904-963 231-297 (524)
202 UniRef100_A0A1G3KZN6 Methyl-ac 32.0 1.7E+02 0.00049 46.5 0.0 140 875-1015 430-585 (842)
203 UniRef100_A0A011T934 DNA repai 30.9 1.7E+02 0.00052 45.4 0.0 20 899-918 280-299 (685)
204 UniRef100_A0A1H7ZF10 Methyl-ac 30.3 2.6E+02 0.00054 42.4 0.0 70 903-976 303-372 (585)
205 UniRef100_A0A058ZLS1 Mitochond 30.2 1.9E+02 0.00054 43.6 0.0 26 949-974 254-279 (503)
206 UniRef100_A0A2T7PEL7 C-type le 30.2 2.1E+02 0.00055 45.2 0.0 36 936-971 396-431 (751)
207 UniRef100_A0A2G1ZU66 PAS domai 30.1 2.7E+02 0.00055 39.5 0.0 66 901-970 175-240 (318)
208 UniRef100_A0A022LC25 Phage inf 30.0 2.1E+02 0.00055 46.2 0.0 47 908-954 343-389 (914)
209 UniRef100_A0A1W9RT00 Methyl-ac 29.8 2.7E+02 0.00056 42.9 0.0 58 904-965 338-395 (672)
210 UniRef100_A0A0L6W2M0 Methyl-ac 29.6 2.8E+02 0.00057 42.2 0.0 64 917-980 224-290 (615)
211 UniRef100_A0A0B7BK04 Laminin s 29.2 2.4E+02 0.00058 50.1 0.0 130 880-1014 1815-1962(2999)
212 UniRef100_A0A1V4QXH2 t-SNARE c 29.2 3.2E+02 0.00058 35.2 0.0 105 893-1001 12-117 (177)
213 UniRef100_A0A6G0MKR0 Uncharact 29.1 3E+02 0.00059 36.6 0.0 97 881-986 58-155 (203)
214 UniRef100_A0A0Q2M686 DUF4226 d 28.7 2.5E+02 0.0006 42.9 0.0 106 919-1027 91-200 (529)
215 UniRef100_A0A6M4JDI9 Uncharact 28.7 3.1E+02 0.0006 41.4 0.0 44 1130-1173 263-307 (642)
216 UniRef100_A0A1F7F3E7 Chemotaxi 28.4 2.3E+02 0.00061 44.7 0.0 62 904-965 402-466 (734)
217 UniRef100_A0A074J9P9 Mitochond 28.4 2.2E+02 0.00061 43.5 0.0 24 850-873 201-224 (535)
218 UniRef100_A0A1E5FZ23 Chemotaxi 28.1 2.4E+02 0.00063 44.4 0.0 83 904-986 378-464 (707)
219 UniRef100_A0A6P4XPV2 Protein C 28.1 3.3E+02 0.00063 39.8 0.0 122 896-1026 40-161 (477)
220 UniRef100_A0A256Z473 Uncharact 28.1 2.4E+02 0.00063 42.1 0.0 58 946-1013 223-280 (434)
221 UniRef100_A0A023D339 Paraquat- 27.9 2.2E+02 0.00063 42.2 0.0 56 904-961 214-269 (423)
222 UniRef100_A0A1B6B8Z2 Methyl-ac 27.3 3.2E+02 0.00066 42.6 0.0 110 904-1013 393-509 (717)
223 UniRef100_A0A0B5QVB4 Methyl-ac 26.5 2.9E+02 0.0007 43.6 0.0 69 904-972 392-491 (717)
224 UniRef100_A0A090ECA4 Uncharact 26.3 2.5E+02 0.00071 42.2 0.0 76 899-974 184-259 (453)
225 UniRef100_A0A0E0UD06 Transmemb 25.7 3.3E+02 0.00074 41.4 0.0 101 923-1023 297-426 (500)
226 UniRef100_A0A0C1QQS9 Uncharact 25.3 3.2E+02 0.00076 43.4 0.0 42 877-918 80-128 (735)
227 UniRef100_A0A1T5BHF6 Two compo 25.3 3.1E+02 0.00076 45.1 0.0 80 895-974 833-912 (1089)
228 UniRef100_A0A6G7PUM8 HAMP doma 25.2 3.8E+02 0.00076 41.3 0.0 70 901-970 241-320 (656)
229 UniRef100_A0A0A2SF03 Chemotaxi 25.0 2.7E+02 0.00077 43.2 0.0 62 904-969 264-325 (596)
230 UniRef100_A0A0H4PKB4 Methyl-ac 24.9 3.4E+02 0.00078 40.8 0.0 105 908-1016 301-413 (439)
231 UniRef100_A0A0A8WMI4 Methyl-ac 24.1 3.1E+02 0.00083 43.8 0.0 107 907-1020 533-645 (746)
232 UniRef100_A0A3N2E798 peptidylp 23.9 3.8E+02 0.00084 41.4 0.0 130 883-1015 104-239 (569)
233 UniRef100_A0A101X814 Uncharact 23.8 3.9E+02 0.00085 40.5 0.0 27 887-913 15-41 (481)
234 UniRef100_A0A0K8MB15 Mce relat 23.3 3.4E+02 0.00088 39.6 0.0 97 897-999 187-291 (332)
235 UniRef100_A0A1A9R797 Phage tai 23.2 3.3E+02 0.00088 44.5 0.0 114 880-994 317-443 (932)
236 UniRef100_A0A017RUL3 Methyl-ac 23.2 2.9E+02 0.00088 43.9 0.0 65 907-975 589-653 (764)
237 UniRef100_A0A088F0Z2 CAP-Gly p 23.1 3.4E+02 0.00089 40.5 0.0 41 977-1017 274-314 (396)
238 UniRef100_A0A017RYD0 Methyl-ac 23.0 3.5E+02 0.00089 42.2 0.0 138 875-1016 211-365 (578)
239 UniRef100_A0A7C9QUS5 Uncharact 23.0 4.6E+02 0.00089 39.6 0.0 125 880-1005 235-380 (550)
240 UniRef100_UPI00187D7964 glycin 23.0 4.7E+02 0.0009 38.7 0.0 63 932-994 322-386 (478)
241 UniRef100_UPI0011DD142E hypoth 23.0 4.7E+02 0.0009 34.6 0.0 73 1101-1182 101-176 (186)
242 UniRef100_A0A108TBW5 Chromosom 22.9 4.2E+02 0.0009 42.7 0.0 105 898-1002 322-448 (906)
243 UniRef100_A0A0B7BK04 Laminin s 22.9 3.7E+02 0.0009 48.4 0.0 43 973-1016 1838-1880(2999)
244 UniRef100_A0A1G0YMZ8 DUF4175 d 22.8 3.4E+02 0.00091 44.6 0.0 72 947-1030 743-816 (962)
245 UniRef100_A0A7J4DUH4 V-type AT 22.8 4.6E+02 0.00091 32.8 0.0 53 917-969 14-67 (116)
246 UniRef100_A0A0C5VVM8 Chromosom 22.4 3.9E+02 0.00094 39.2 0.0 93 881-981 148-269 (340)
247 UniRef100_A0A084JNG3 Phage inf 22.4 3.8E+02 0.00094 42.9 0.0 72 904-975 299-374 (744)
248 UniRef100_A0A349B9T4 Uncharact 22.2 4.8E+02 0.00095 38.1 0.0 166 895-1069 140-322 (386)
249 UniRef100_A0A090ZUN6 Methyl-ac 22.2 3.2E+02 0.00096 42.8 0.0 58 904-965 277-334 (643)
250 UniRef100_A0A174RCF4 Septal ri 22.1 3.5E+02 0.00096 40.7 0.0 98 882-987 58-156 (429)
251 UniRef100_A0A1C5N4E2 Uncharact 21.8 4.1E+02 0.00098 38.1 0.0 85 922-1011 156-251 (282)
252 UniRef100_A0A3M6UUT1 Uncharact 21.6 4.5E+02 0.00099 37.4 0.0 46 928-973 67-112 (262)
253 UniRef100_A0A0A8X4T6 Uncharact 21.3 3.6E+02 0.001 38.5 0.0 87 882-973 45-132 (284)
254 UniRef100_A0A0K8JGA3 Methyl-ac 21.2 4.3E+02 0.001 40.5 0.0 185 835-1034 119-323 (481)
255 UniRef100_A0A258GQ73 Peptidogl 21.1 4.9E+02 0.001 43.4 0.0 78 898-975 416-500 (1310)
256 UniRef100_A0A0S3TX49 Uncharact 21.1 4E+02 0.001 42.8 0.0 68 902-977 176-244 (750)
257 UniRef100_A0A1Y0IFL3 50S ribos 21.1 3.9E+02 0.001 38.7 0.0 63 912-974 188-250 (309)
258 UniRef100_A0A5C8JGQ5 Phage tai 20.7 4.8E+02 0.0011 42.6 0.0 81 890-973 601-681 (923)
259 UniRef100_A0A1F3DI85 Uncharact 20.7 4.7E+02 0.0011 33.4 0.0 60 1120-1182 41-104 (119)
260 UniRef100_A0A0F5ASV0 Chemotaxi 20.5 4.4E+02 0.0011 39.7 0.0 101 904-1005 92-214 (410)
261 UniRef100_A0A068Z5M4 Type III 20.4 4.7E+02 0.0011 41.7 0.0 144 884-1027 119-309 (679)
262 UniRef100_A0A0E4GBT4 Methyl-ac 20.4 3.9E+02 0.0011 41.1 0.0 58 904-965 145-202 (508)
263 UniRef100_A0A2A5NXX2 t-SNARE c 20.3 4.8E+02 0.0011 33.4 0.0 37 937-973 21-57 (120)
INFO: STEP-1: Running strategy 1
(prefix: 'str', result_dir: 'Path', feature_dict: 'Dict[str, Any]', is_complex: 'bool', use_templates: 'bool', sequences_lengths: 'List[int]', pad_len: 'int', model_type: 'str', model_runner_and_params: 'List[Tuple[str, model.RunModel, haiku.Params]]', num_relax: 'int' = 0, rank_by: 'str' = 'auto', random_seed: 'int' = 0, num_seeds: 'int' = 1, stop_at_score: 'float' = 100, prediction_callback: 'Callable[[Any, Any, Any, Any, Any], Any]' = None, use_gpu_relax: 'bool' = False, save_all: 'bool' = False, save_single_representations: 'bool' = False, save_pair_representations: 'bool' = False, save_recycles: 'bool' = False)
chain_B
'S1_results' folder has been removed.
'S2_results' folder does not exist in the current directory.
'Vanilla_AF2_results' folder does not exist in the current directory.
'DAQ' folder has been removed.
'template' folder has been removed.
prediction.txt
5a4e3034f8981212b955983c7f8c5177_0e43d.a3m
5a4e3034f8981212b955983c7f8c5177_0e43d.csv
INFO: Input Protein Sequence and DAQ result file started
chain_B
Prepare trimmed template finished.
MSA finished.(if applicable)
INFO: Input Protein Sequence and DAQ result file Done
INFO: Modeling Part started
chain_B
MSA settings finished.
Advanced settings finished.
DAQ-Refine
Install dependencies finished.
GPU is not available.
chain_B
start running download_alphafold
2025-09-18 11:55:03,323 Unable to initialize backend 'rocm': NOT_FOUND: Could not find registered platform with name: "rocm". Available platform names are: Interpreter CUDA
2025-09-18 11:55:03,331 Unable to initialize backend 'tpu': module 'jaxlib.xla_extension' has no attribute 'get_tpu_client'
2025-09-18 11:55:19,560 Running on GPU
2025-09-18 11:55:20,214 Found 7 citations for tools or databases
1tmp.cif.bak.
1: 5a4e3034f8981212b955983c7f8c5177_0e43d (length 1191)
local msa started
2025-09-18 12:02:57,787 Sequence 0 found templates: ['1tmp_B', '1tmp_B', '1tmp_B']
local msa started
2025-09-18 12:11:26,772 Setting max_seq=334, max_extra_seq=1
2025-09-18 12:14:40,257 alphafold2_ptm_model_1_seed_000 recycle=0 pLDDT=85.8 pTM=0.775
2025-09-18 12:16:58,723 alphafold2_ptm_model_1_seed_000 recycle=1 pLDDT=86.4 pTM=0.787 tol=4.32
2025-09-18 12:16:58,736 alphafold2_ptm_model_1_seed_000 took 317.4s (1 recycles)
2025-09-18 12:19:19,495 alphafold2_ptm_model_2_seed_000 recycle=0 pLDDT=86.4 pTM=0.813
2025-09-18 12:21:38,633 alphafold2_ptm_model_2_seed_000 recycle=1 pLDDT=87.8 pTM=0.818 tol=6.43
2025-09-18 12:21:38,637 alphafold2_ptm_model_2_seed_000 took 277.9s (1 recycles)
2025-09-18 12:24:03,335 alphafold2_ptm_model_3_seed_000 recycle=0 pLDDT=66.4 pTM=0.435
2025-09-18 12:26:07,431 alphafold2_ptm_model_3_seed_000 recycle=1 pLDDT=69.8 pTM=0.472 tol=8.12
2025-09-18 12:26:07,435 alphafold2_ptm_model_3_seed_000 took 266.7s (1 recycles)
2025-09-18 12:28:13,063 alphafold2_ptm_model_4_seed_000 recycle=0 pLDDT=67.1 pTM=0.461
2025-09-18 12:30:17,076 alphafold2_ptm_model_4_seed_000 recycle=1 pLDDT=73.2 pTM=0.565 tol=8.89
2025-09-18 12:30:17,079 alphafold2_ptm_model_4_seed_000 took 247.5s (1 recycles)
2025-09-18 12:32:22,636 alphafold2_ptm_model_5_seed_000 recycle=0 pLDDT=61.8 pTM=0.5
2025-09-18 12:34:26,129 alphafold2_ptm_model_5_seed_000 recycle=1 pLDDT=68.6 pTM=0.555 tol=5.38
2025-09-18 12:34:26,133 alphafold2_ptm_model_5_seed_000 took 246.9s (1 recycles)
2025-09-18 12:34:28,297 reranking models by 'plddt' metric
2025-09-18 12:34:28,304 rank_001_alphafold2_ptm_model_2_seed_000 pLDDT=87.8 pTM=0.818
2025-09-18 12:34:28,318 rank_002_alphafold2_ptm_model_1_seed_000 pLDDT=86.4 pTM=0.787
2025-09-18 12:34:28,325 rank_003_alphafold2_ptm_model_4_seed_000 pLDDT=73.2 pTM=0.565
2025-09-18 12:34:28,333 rank_004_alphafold2_ptm_model_3_seed_000 pLDDT=69.8 pTM=0.472
2025-09-18 12:34:28,340 rank_005_alphafold2_ptm_model_5_seed_000 pLDDT=68.6 pTM=0.555
2025-09-18 12:34:34,482 Done
Prediction finished.
INFO: Modeling Part Done
chain_B
chain_B
align structure to input map
rank_001_alphafold2_ptm_model_2_seed_000_s1
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.7 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=-42452332 seed_offset=0 real_seed=-42452332
core.init.random: RandomGenerator:init: Normal mode, seed=-42452332 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.1 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
core.conformation.Conformation: Found disulfide between residues 1 120
core.conformation.Conformation: current variant for 1 CYS
core.conformation.Conformation: current variant for 120 CYS
core.conformation.Conformation: current variant for 1 CYD
core.conformation.Conformation: current variant for 120 CYD
core.conformation.Conformation: Found disulfide between residues 115 149
core.conformation.Conformation: current variant for 115 CYS
core.conformation.Conformation: current variant for 149 CYS
core.conformation.Conformation: current variant for 115 CYD
core.conformation.Conformation: current variant for 149 CYD
core.conformation.Conformation: Found disulfide between residues 274 284
core.conformation.Conformation: current variant for 274 CYS
core.conformation.Conformation: current variant for 284 CYS
core.conformation.Conformation: current variant for 274 CYD
core.conformation.Conformation: current variant for 284 CYD
core.conformation.Conformation: Found disulfide between residues 319 344
core.conformation.Conformation: current variant for 319 CYS
core.conformation.Conformation: current variant for 344 CYS
core.conformation.Conformation: current variant for 319 CYD
core.conformation.Conformation: current variant for 344 CYD
core.conformation.Conformation: Found disulfide between residues 362 415
core.conformation.Conformation: current variant for 362 CYS
core.conformation.Conformation: current variant for 415 CYS
core.conformation.Conformation: current variant for 362 CYD
core.conformation.Conformation: current variant for 415 CYD
core.conformation.Conformation: Found disulfide between residues 463 471
core.conformation.Conformation: current variant for 463 CYS
core.conformation.Conformation: current variant for 471 CYS
core.conformation.Conformation: current variant for 463 CYD
core.conformation.Conformation: current variant for 471 CYD
core.conformation.Conformation: Found disulfide between residues 521 573
core.conformation.Conformation: current variant for 521 CYS
core.conformation.Conformation: current variant for 573 CYS
core.conformation.Conformation: current variant for 521 CYD
core.conformation.Conformation: current variant for 573 CYD
core.conformation.Conformation: Found disulfide between residues 600 632
core.conformation.Conformation: current variant for 600 CYS
core.conformation.Conformation: current variant for 632 CYS
core.conformation.Conformation: current variant for 600 CYD
core.conformation.Conformation: current variant for 632 CYD
core.conformation.Conformation: Found disulfide between residues 645 654
core.conformation.Conformation: current variant for 645 CYS
core.conformation.Conformation: current variant for 654 CYS
core.conformation.Conformation: current variant for 645 CYD
core.conformation.Conformation: current variant for 654 CYD
core.conformation.Conformation: Found disulfide between residues 721 743
core.conformation.Conformation: current variant for 721 CYS
core.conformation.Conformation: current variant for 743 CYS
core.conformation.Conformation: current variant for 721 CYD
core.conformation.Conformation: current variant for 743 CYD
core.conformation.Conformation: Found disulfide between residues 726 732
core.conformation.Conformation: current variant for 726 CYS
core.conformation.Conformation: current variant for 732 CYS
core.conformation.Conformation: current variant for 726 CYD
core.conformation.Conformation: current variant for 732 CYD
core.conformation.Conformation: Found disulfide between residues 823 834
core.conformation.Conformation: current variant for 823 CYS
core.conformation.Conformation: current variant for 834 CYS
core.conformation.Conformation: current variant for 823 CYD
core.conformation.Conformation: current variant for 834 CYD
core.conformation.Conformation: Found disulfide between residues 1015 1026
core.conformation.Conformation: current variant for 1015 CYS
core.conformation.Conformation: current variant for 1026 CYS
core.conformation.Conformation: current variant for 1015 CYD
core.conformation.Conformation: current variant for 1026 CYD
core.conformation.Conformation: Found disulfide between residues 1065 1109
core.conformation.Conformation: current variant for 1065 CYS
core.conformation.Conformation: current variant for 1109 CYS
core.conformation.Conformation: current variant for 1065 CYD
core.conformation.Conformation: current variant for 1109 CYD
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.7A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: celldim: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.7
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (1192)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (1192)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
26.5454 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.26 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat -3392.93 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 23107 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 63528424 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -21116.8 1.13748 1.13748 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20954 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 52876464 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20940 1.31443 1.31443 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20456 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 50253060 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20802.6 1.45759 1.45759 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19902 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 47367892 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20558.7 1.53293 1.53293 0.55
protocols.relax.FastRelax: MRP: 0 -20558.7 -20558.7 1.53293 1.53293
protocols.relax.FastRelax: CMD: accept_to_best -20558.7 1.53293 1.53293 0.55
protocols.relax.FastRelax: CMD: endrepeat -20558.7 1.53293 1.53293 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 23206 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 62403660 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -21904.1 1.62976 1.62976 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20827 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 52837216 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -21284 1.64274 1.64274 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20297 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 49517860 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -21004.1 1.68546 1.68546 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19791 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 46940108 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20718.9 1.71822 1.71822 0.55
protocols.relax.FastRelax: MRP: 1 -20718.9 -20718.9 1.71822 1.71822
protocols.relax.FastRelax: CMD: accept_to_best -20718.9 1.71822 1.71822 0.55
protocols.relax.FastRelax: CMD: endrepeat -20718.9 1.71822 1.71822 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 2005 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 2006 seconds
chain_B
align structure to input map
rank_002_alphafold2_ptm_model_1_seed_000_s1
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.7 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=-1678924739 seed_offset=0 real_seed=-1678924739
core.init.random: RandomGenerator:init: Normal mode, seed=-1678924739 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.12 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
core.conformation.Conformation: Found disulfide between residues 1 120
core.conformation.Conformation: current variant for 1 CYS
core.conformation.Conformation: current variant for 120 CYS
core.conformation.Conformation: current variant for 1 CYD
core.conformation.Conformation: current variant for 120 CYD
core.conformation.Conformation: Found disulfide between residues 115 149
core.conformation.Conformation: current variant for 115 CYS
core.conformation.Conformation: current variant for 149 CYS
core.conformation.Conformation: current variant for 115 CYD
core.conformation.Conformation: current variant for 149 CYD
core.conformation.Conformation: Found disulfide between residues 274 284
core.conformation.Conformation: current variant for 274 CYS
core.conformation.Conformation: current variant for 284 CYS
core.conformation.Conformation: current variant for 274 CYD
core.conformation.Conformation: current variant for 284 CYD
core.conformation.Conformation: Found disulfide between residues 319 344
core.conformation.Conformation: current variant for 319 CYS
core.conformation.Conformation: current variant for 344 CYS
core.conformation.Conformation: current variant for 319 CYD
core.conformation.Conformation: current variant for 344 CYD
core.conformation.Conformation: Found disulfide between residues 362 415
core.conformation.Conformation: current variant for 362 CYS
core.conformation.Conformation: current variant for 415 CYS
core.conformation.Conformation: current variant for 362 CYD
core.conformation.Conformation: current variant for 415 CYD
core.conformation.Conformation: Found disulfide between residues 374 508
core.conformation.Conformation: current variant for 374 CYS
core.conformation.Conformation: current variant for 508 CYS
core.conformation.Conformation: current variant for 374 CYD
core.conformation.Conformation: current variant for 508 CYD
core.conformation.Conformation: Found disulfide between residues 463 471
core.conformation.Conformation: current variant for 463 CYS
core.conformation.Conformation: current variant for 471 CYS
core.conformation.Conformation: current variant for 463 CYD
core.conformation.Conformation: current variant for 471 CYD
core.conformation.Conformation: Found disulfide between residues 521 573
core.conformation.Conformation: current variant for 521 CYS
core.conformation.Conformation: current variant for 573 CYS
core.conformation.Conformation: current variant for 521 CYD
core.conformation.Conformation: current variant for 573 CYD
core.conformation.Conformation: Found disulfide between residues 600 632
core.conformation.Conformation: current variant for 600 CYS
core.conformation.Conformation: current variant for 632 CYS
core.conformation.Conformation: current variant for 600 CYD
core.conformation.Conformation: current variant for 632 CYD
core.conformation.Conformation: Found disulfide between residues 645 654
core.conformation.Conformation: current variant for 645 CYS
core.conformation.Conformation: current variant for 654 CYS
core.conformation.Conformation: current variant for 645 CYD
core.conformation.Conformation: current variant for 654 CYD
core.conformation.Conformation: Found disulfide between residues 721 743
core.conformation.Conformation: current variant for 721 CYS
core.conformation.Conformation: current variant for 743 CYS
core.conformation.Conformation: current variant for 721 CYD
core.conformation.Conformation: current variant for 743 CYD
core.conformation.Conformation: Found disulfide between residues 726 732
core.conformation.Conformation: current variant for 726 CYS
core.conformation.Conformation: current variant for 732 CYS
core.conformation.Conformation: current variant for 726 CYD
core.conformation.Conformation: current variant for 732 CYD
core.conformation.Conformation: Found disulfide between residues 823 834
core.conformation.Conformation: current variant for 823 CYS
core.conformation.Conformation: current variant for 834 CYS
core.conformation.Conformation: current variant for 823 CYD
core.conformation.Conformation: current variant for 834 CYD
core.conformation.Conformation: Found disulfide between residues 1015 1026
core.conformation.Conformation: current variant for 1015 CYS
core.conformation.Conformation: current variant for 1026 CYS
core.conformation.Conformation: current variant for 1015 CYD
core.conformation.Conformation: current variant for 1026 CYD
core.conformation.Conformation: Found disulfide between residues 1065 1109
core.conformation.Conformation: current variant for 1065 CYS
core.conformation.Conformation: current variant for 1109 CYS
core.conformation.Conformation: current variant for 1065 CYD
core.conformation.Conformation: current variant for 1109 CYD
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.7A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: celldim: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.7
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (1192)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (1192)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
26.5454 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.22 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 11.1776 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22880 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 63616008 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20485.1 1.18028 1.18028 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20854 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 53849536 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20265.8 1.34825 1.34825 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20401 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 50629776 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20131.1 1.52322 1.52322 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19794 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 47562404 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -19908.7 1.64887 1.64887 0.55
protocols.relax.FastRelax: MRP: 0 -19908.7 -19908.7 1.64887 1.64887
protocols.relax.FastRelax: CMD: accept_to_best -19908.7 1.64887 1.64887 0.55
protocols.relax.FastRelax: CMD: endrepeat -19908.7 1.64887 1.64887 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 23134 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 62869316 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -21277.3 1.73005 1.73005 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20959 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 53664688 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20631 1.74237 1.74237 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20289 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 49996172 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20353.8 1.77708 1.77708 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19671 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 47251512 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20067.4 1.81809 1.81809 0.55
protocols.relax.FastRelax: MRP: 1 -20067.4 -20067.4 1.81809 1.81809
protocols.relax.FastRelax: CMD: accept_to_best -20067.4 1.81809 1.81809 0.55
protocols.relax.FastRelax: CMD: endrepeat -20067.4 1.81809 1.81809 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 1867 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 1868 seconds
Query Chain A
Match_columns 1191
No_of_seqs 330 out of 578
Neff 5.39932
Searched_HMMs 55448
Date Thu Sep 18 13:47:57 2025
UniRef30_2023_02
No Hit Prob E-value P-value Score SS Cols Query HMM Template HMM
1 UniRef100_A0A023NGM8 Spike gly 100.0 7E-293 2E-298 2610.7 0.0 1162 7-1191 40-1238(1305)
2 UniRef100_A0A6B9WHD3 Spike gly 100.0 5E-245 9E-251 2042.7 0.0 1191 1-1191 107-1300(1402)
3 UniRef100_A0A059SQG9 Spike gly 100.0 5E-238 1E-243 2027.4 0.0 1133 2-1191 41-1305(1369)
4 UniRef100_A0A023J7F0 Spike gly 100.0 4E-194 9E-200 1747.9 0.0 631 510-1191 843-1516(1590)
5 UniRef100_A0A023PLR7 Spike pro 100.0 2E-183 3E-189 1607.9 0.0 640 510-1190 424-1091(1183)
6 UniRef100_A0A077JJK7 Spike gly 100.0 6E-178 1E-183 1571.6 0.0 643 510-1191 685-1391(1458)
7 UniRef100_A0A077ERD3 S protein 100.0 2E-169 4E-175 1413.2 0.0 617 546-1190 5-675 (742)
8 UniRef100_A0A7S8R8N8 Spike pro 100.0 2E-168 3E-174 1386.5 0.0 783 403-1191 1-783 (848)
9 UniRef100_A0A1V0G2X7 Spike pro 100.0 7E-164 1E-169 1372.5 0.0 831 342-1191 2-932 (996)
10 UniRef100_A0A0U1WJW4 Spike gly 100.0 8E-164 2E-169 1431.5 0.0 836 247-1191 326-1176(1246)
11 UniRef100_A0A172Q3Q5 S2 protei 100.0 1E-163 3E-169 1376.2 0.0 536 637-1191 12-558 (632)
12 UniRef100_A0A166ZND9 Spike pro 100.0 4E-154 8E-160 1282.1 0.0 831 1-865 19-850 (852)
13 UniRef100_A0A1B0V2R4 Truncated 100.0 2E-128 4E-134 1076.0 0.0 868 7-892 41-983 (983)
14 UniRef100_A0A6G7KUJ6 Spike pro 100.0 5E-120 9E-126 1037.6 0.0 653 495-1191 698-1420(1492)
15 UniRef100_A0A0A1EBA0 Spike gly 100.0 2E-118 3E-124 1005.5 0.0 775 4-824 35-937 (937)
16 UniRef100_A0A068JC13 Spike pro 100.0 4E-113 8E-119 926.0 0.0 359 825-1190 3-396 (463)
17 UniRef100_A0A059XF70 Spike pro 100.0 2E-109 4E-115 874.9 0.0 350 697-1050 1-355 (356)
18 UniRef100_A0A077EXM1 S protein 100.0 1.8E-89 3.2E-95 700.0 0.0 263 809-1075 1-279 (297)
19 UniRef100_B2L0T8 Spike glycopr 100.0 6.9E-87 1.3E-92 741.4 0.0 427 511-975 428-872 (872)
20 UniRef100_Q6SRF2 Spike glycopr 100.0 1.8E-76 3.2E-82 629.1 0.0 424 3-440 21-444 (446)
21 UniRef100_A0A411PZD9 Spike (Fr 100.0 4E-76 7.3E-82 643.3 0.0 588 249-915 9-630 (631)
22 UniRef100_A0A411PZE7 Spike (Fr 100.0 1.8E-74 3.4E-80 641.1 0.0 587 250-915 200-820 (821)
23 UniRef100_A0A146AAK6 Spike pro 100.0 9E-74 1.7E-79 631.6 0.0 512 7-531 41-613 (613)
24 UniRef100_A0A1B0YTV9 Spike pro 100.0 4.5E-73 8.8E-79 568.8 0.0 194 834-1031 1-208 (210)
25 UniRef100_A0A096X736 Spike pro 100.0 1.2E-69 2.4E-75 567.4 0.0 217 971-1190 1-242 (287)
26 UniRef100_A0A6B9D8M7 S protein 100.0 4.8E-69 8.8E-75 555.6 0.0 255 934-1191 1-258 (319)
27 UniRef100_I6RE14 Spike protein 100.0 1.2E-68 2.2E-74 559.2 0.0 330 568-946 1-359 (360)
28 UniRef100_Q52R85 Spike protein 100.0 2.9E-64 5.3E-70 544.2 0.0 363 509-904 138-526 (526)
29 UniRef100_A0A6B9CZC3 S protein 100.0 1.5E-59 2.9E-65 514.5 0.0 395 3-437 30-455 (599)
30 UniRef100_A0A068B023 Spike pro 100.0 7.6E-59 1.5E-64 538.4 0.0 333 507-891 635-978 (978)
31 UniRef100_A0A0P0H4V9 Spike pro 100.0 3.6E-57 7.2E-63 478.2 0.0 294 86-412 2-300 (305)
32 UniRef100_UPI000A1C7A47 Spike 100.0 4.6E-54 9.4E-60 462.4 0.0 313 1-317 26-341 (351)
33 UniRef100_W5ZZU6 S protein (Fr 100.0 4.9E-53 8.9E-59 452.0 0.0 396 207-615 16-431 (442)
34 UniRef100_A0A2P1GNP6 Spike pro 100.0 1.6E-51 3E-57 463.2 0.0 472 692-1190 369-848 (906)
35 UniRef100_A0A0G2T197 Spike pro 100.0 6.3E-51 1.2E-56 441.5 0.0 406 348-765 1-511 (514)
36 UniRef100_UPI0000E11D80 Spike 100.0 9.8E-51 1.8E-56 423.9 0.0 278 299-576 36-313 (315)
37 UniRef100_A0A7D6LHD1 Non-struc 100.0 2.3E-49 4.9E-55 457.2 0.0 338 694-1060 362-712 (712)
38 UniRef100_Q6QHB0 Spike glycopr 100.0 5E-49 9.2E-55 402.6 0.0 272 93-373 1-272 (272)
39 UniRef100_W8PCB6 Spike protein 100.0 7.1E-48 1.3E-53 404.1 0.0 313 85-408 19-346 (347)
40 UniRef100_A0A0H3VDE9 Spike pro 100.0 1.2E-47 2.3E-53 410.7 0.0 298 2-334 30-351 (351)
41 UniRef100_A0A1L2ILV7 Spike gly 100.0 1.3E-46 2.3E-52 372.4 0.0 194 761-954 2-201 (202)
42 UniRef100_A0A0F7CYG7 Spike pro 100.0 5.1E-45 9.3E-51 367.9 0.0 200 728-930 1-225 (236)
43 UniRef100_A0A8K2ACR3 Nuclear e 100.0 8.1E-45 1.5E-50 395.8 0.0 237 289-525 2-238 (467)
44 UniRef100_A0A220F210 Spike pro 100.0 9.8E-45 1.8E-50 379.5 0.0 261 148-437 4-272 (333)
45 UniRef100_A0A7T6C1S9 Spike pro 100.0 2.5E-44 4.6E-50 374.5 0.0 298 251-556 2-314 (316)
46 UniRef100_A0A0B5GX78 Spike pro 100.0 2.9E-43 5.3E-49 382.0 0.0 366 304-681 1-470 (475)
47 UniRef100_A0A2U9I608 Spike pro 100.0 3.3E-43 6.1E-49 342.5 0.0 165 731-899 1-175 (175)
48 UniRef100_A0A6M6CD69 Spike gly 100.0 1.7E-42 3.1E-48 380.8 0.0 373 8-397 32-435 (582)
49 UniRef100_A0A0P0GRR3 Spike pro 100.0 4.7E-41 8.6E-47 338.3 0.0 219 156-397 6-226 (227)
50 UniRef100_A0A059XKM4 Spike pro 100.0 1E-40 1.8E-46 345.3 0.0 258 169-436 4-272 (291)
51 UniRef100_A0A024CI31 Spike pro 100.0 1.6E-38 3.3E-44 364.6 0.0 206 511-750 425-643 (644)
52 UniRef100_A0A096X762 Spike pro 100.0 9.6E-37 1.8E-42 282.3 0.0 111 975-1086 1-115 (115)
53 UniRef100_U5WHW8 Spike protein 100.0 3.9E-36 7.3E-42 306.0 0.0 224 346-587 2-225 (226)
54 UniRef100_X2CGA4 Spike protein 100.0 5.8E-36 1.1E-41 285.7 0.0 140 746-891 1-145 (145)
55 UniRef100_A0A2U9I5Y4 Spike pro 100.0 3.4E-35 6.3E-41 283.4 0.0 149 989-1138 2-156 (156)
56 UniRef100_A0A7G1PUB4 Spike pro 100.0 2.6E-34 5.2E-40 276.7 0.0 127 722-848 1-132 (133)
57 UniRef100_UPI00003B0AA1 E2 gly 100.0 1E-33 2.1E-39 275.9 0.0 86 886-971 3-88 (139)
58 UniRef100_UPI000A1C7A3E S prot 100.0 1.9E-33 3.5E-39 297.4 0.0 275 7-291 24-339 (342)
59 UniRef100_A0A2Z4KJM2 Spike gly 100.0 1.4E-32 2.5E-38 293.9 0.0 171 266-437 18-195 (380)
60 UniRef100_H9MFZ0 Spike protein 100.0 2.2E-32 4.1E-38 261.8 0.0 124 853-980 1-138 (138)
61 UniRef100_Q9WCD3 Surface glyco 99.9 6.4E-32 1.2E-37 253.7 0.0 126 822-951 1-126 (126)
62 UniRef100_A0A2P1G6J3 Spike gly 99.9 2.7E-30 5.3E-36 290.1 0.0 309 254-651 216-532 (532)
63 UniRef100_A0A499Q5S4 Spike (Fr 99.9 5.4E-30 1.1E-35 268.8 0.0 222 302-526 6-247 (251)
64 UniRef100_A0A8K2ACR3 Nuclear e 99.9 2.4E-29 4.5E-35 277.6 0.0 414 13-518 27-450 (467)
65 UniRef100_A0A514KFQ1 Spike pro 99.9 2.8E-26 5.2E-32 196.5 0.0 68 995-1062 1-68 (68)
66 UniRef100_A0A1V0CI80 Spike pro 99.9 7.7E-26 1.4E-31 214.7 0.0 122 761-882 2-129 (129)
67 UniRef100_Q5U8X2 S protein (Fr 99.9 1E-25 1.8E-31 221.1 0.0 117 1070-1189 1-122 (164)
68 UniRef100_A0A7M4C330 Spike pro 99.8 7.4E-25 1.4E-30 205.7 0.0 110 278-388 1-111 (112)
69 UniRef100_C8YZ70 Spike glycopr 99.8 2.5E-24 4.6E-30 227.0 0.0 266 469-768 14-295 (298)
70 UniRef100_UPI00108494E9 Spike 99.8 7.8E-24 1.5E-29 189.4 0.0 79 893-971 2-80 (80)
71 UniRef100_E9KKB9 S1 glycoprote 99.8 4.6E-22 8.5E-28 214.0 0.0 170 511-714 168-350 (350)
72 UniRef100_A0A6B9XCD3 Spike gly 99.8 8.9E-22 1.7E-27 211.0 0.0 217 357-573 2-317 (317)
73 UniRef100_A0A7T8EHU6 Spike gly 99.8 1.4E-21 2.5E-27 166.5 0.0 63 835-901 1-63 (63)
74 UniRef100_A7LIZ2 Spike protein 99.7 4.5E-21 8.3E-27 191.2 0.0 149 622-791 10-164 (175)
75 UniRef100_A0A077ERX2 S protein 99.7 7.4E-21 1.4E-26 194.1 0.0 119 1070-1190 4-143 (210)
76 UniRef100_A0A3S7SVT1 Spike pro 99.7 1.8E-20 3.6E-26 216.5 0.0 309 250-609 201-518 (591)
77 UniRef100_A0A7D6LHD1 Non-struc 99.7 6.2E-20 1.3E-25 218.6 0.0 283 290-582 358-676 (712)
78 UniRef100_H9MG45 Spike protein 99.6 2.9E-19 5.4E-25 172.3 0.0 95 863-961 1-109 (133)
79 UniRef100_A0A4P2V557 Spike pro 99.6 4.7E-19 8.6E-25 182.2 0.0 185 501-697 23-217 (217)
80 UniRef100_E1U195 Spike glycopr 99.6 4.2E-18 7.7E-24 176.7 0.0 197 8-230 3-213 (229)
81 UniRef100_UPI002240E4F8 Spike 99.6 4.2E-18 8E-24 179.1 0.0 126 895-1024 1-126 (242)
82 UniRef100_B0FG42 Spike protein 99.6 5.8E-18 1.1E-23 164.1 0.0 96 1094-1190 2-115 (122)
83 UniRef100_M1PF06 Spike glycopr 99.6 6.2E-18 1.1E-23 173.8 0.0 108 330-437 1-114 (211)
84 UniRef100_UPI002240E4F8 Spike 99.5 6.6E-17 1.3E-22 170.6 0.0 81 893-973 153-233 (242)
85 UniRef100_A0A7D6LHD1 Non-struc 99.4 2.3E-16 4.8E-22 189.7 0.0 261 1-278 362-648 (712)
86 UniRef100_Q6QJ40 Spike protein 99.4 4.5E-16 8.2E-22 155.9 0.0 125 3-132 21-145 (165)
87 UniRef100_UPI001FBC14EB SARS-C 99.4 6E-16 1.1E-21 163.6 0.0 75 897-971 183-257 (257)
88 UniRef100_T2BB95 S protein (Fr 99.4 8.5E-16 1.6E-21 162.0 0.0 168 7-177 41-241 (250)
89 UniRef100_UPI0008A09DF1 Spike 99.4 1.5E-15 2.8E-21 153.6 0.0 159 319-511 6-169 (176)
90 UniRef100_A0A0A7X7R5 Spike gly 99.3 8.1E-15 1.6E-20 160.4 0.0 98 510-611 188-293 (303)
91 UniRef100_T2KR30 Spike protein 99.2 1E-13 1.8E-19 114.7 0.0 48 839-890 1-48 (48)
92 UniRef100_E2DNU6 Spike glycopr 99.2 1.6E-13 2.9E-19 158.1 0.0 165 505-712 427-596 (596)
93 UniRef100_A0A088DJH4 BetaCoV S 99.2 1.7E-13 3.1E-19 154.4 0.0 245 31-287 61-322 (451)
94 UniRef100_A0A0A1EHX8 Spike gly 99.1 3.1E-13 5.7E-19 135.5 0.0 82 511-596 64-153 (155)
95 UniRef100_A0A6M8NL89 Surface g 99.1 5.6E-13 1E-18 129.9 0.0 120 569-688 2-121 (126)
96 UniRef100_A0A098GJU2 Spike pro 99.1 6.3E-13 1.2E-18 119.2 0.0 56 785-840 17-74 (74)
97 UniRef100_UPI0021506BE2 Spike 99.0 1.7E-12 3.2E-18 138.4 0.0 55 900-954 1-55 (250)
98 UniRef100_UPI0022656F4D Spike 99.0 4.4E-12 8E-18 131.5 0.0 102 319-421 7-108 (194)
99 UniRef100_UPI001CFC46DE Spike 98.7 1.5E-10 2.7E-16 101.5 0.0 50 900-949 7-56 (61)
100 UniRef100_UPI000BA9F96C Spike 98.7 2.6E-10 4.7E-16 101.3 0.0 62 761-822 4-65 (65)
101 UniRef100_UPI000D724CD3 Spike 98.6 5.9E-10 1.1E-15 112.8 0.0 55 901-955 1-69 (148)
102 UniRef100_A0A140HEV6 Spike pro 98.6 6E-10 1.1E-15 126.1 0.0 72 511-582 313-392 (397)
103 UniRef100_A0A0U4CKH3 Truncated 98.6 6E-10 1.1E-15 116.5 0.0 119 512-661 51-174 (190)
104 UniRef100_I3QKR4 Spike glycopr 98.6 6.6E-10 1.3E-15 137.2 0.0 85 509-599 672-756 (808)
105 UniRef100_UPI00006C21F1 Spike 98.5 1.2E-09 2.2E-15 94.5 0.0 50 1142-1191 3-52 (55)
106 UniRef100_A0A0A7DYL7 S1 protei 98.5 1.8E-09 3.4E-15 120.6 0.0 116 511-656 188-308 (339)
107 UniRef100_A0A2H4N6M1 Spike pro 98.3 9.9E-09 1.8E-14 120.9 0.0 152 512-705 423-580 (580)
108 UniRef100_A0A2H5ACN4 Spike pro 98.2 1.4E-08 3E-14 98.1 0.0 57 1131-1190 7-77 (84)
109 UniRef100_A0A075THU5 Spike pro 98.2 2.1E-08 3.9E-14 104.4 0.0 99 5-104 37-146 (172)
110 UniRef100_B2BGX7 Spike protein 98.2 2.1E-08 3.9E-14 97.7 0.0 99 532-640 1-100 (107)
111 UniRef100_E5Q348 Spike protein 98.2 2.5E-08 4.5E-14 90.6 0.0 45 685-731 25-69 (69)
112 UniRef100_C3S0H5 Spike protein 98.2 2.8E-08 5.2E-14 92.4 0.0 72 1104-1176 1-76 (76)
113 UniRef100_UPI0021506BE2 Spike 98.1 4.6E-08 8.5E-14 106.8 0.0 57 898-954 96-152 (250)
114 UniRef100_T2KSE6 Spike protein 98.1 7.7E-08 1.4E-13 78.0 0.0 30 841-870 3-32 (37)
115 UniRef100_A0A5B7M0Y4 Spike pro 98.0 9E-08 1.6E-13 104.4 0.0 75 500-574 164-242 (242)
116 UniRef100_UPI0021506BE2 Spike 98.0 1.2E-07 2.3E-13 103.8 0.0 54 898-951 193-246 (250)
117 UniRef100_UPI0000D79C3D E2 gly 98.0 1.4E-07 2.6E-13 87.7 0.0 39 927-965 1-39 (77)
118 UniRef100_A0A2H5ACN2 Spike pro 97.9 2.9E-07 5.7E-13 83.2 0.0 41 1144-1185 5-59 (59)
119 UniRef100_D3GDW7 Spike glycopr 97.8 5.2E-07 9.6E-13 91.9 0.0 98 6-104 18-126 (130)
120 UniRef100_A0A076ML67 Spike pro 97.8 6.3E-07 1.2E-12 97.9 0.0 69 511-580 149-217 (231)
121 UniRef100_A0A3Q8M6B4 Spike pro 97.7 7.4E-07 1.4E-12 70.7 0.0 32 855-890 1-32 (32)
122 UniRef100_A0A6M5WM48 Spike pro 97.4 8.2E-06 1.6E-11 65.9 0.0 32 848-883 1-32 (32)
123 UniRef100_I3QKB4 Spike protein 97.2 1.9E-05 3.4E-11 81.0 0.0 59 511-570 70-128 (128)
124 UniRef100_UPI0000ED4E97 Spike 97.1 3.1E-05 5.7E-11 77.7 0.0 47 909-955 12-58 (109)
125 UniRef100_A0A173G2R2 Spike pro 96.9 7.9E-05 1.4E-10 70.1 0.0 54 560-615 6-59 (71)
126 UniRef100_A0A6B9UZ41 Surface g 96.9 9E-05 1.7E-10 61.1 0.0 34 378-411 2-35 (35)
127 UniRef100_D3GDG1 S protein (Fr 96.9 9.8E-05 1.8E-10 73.5 0.0 77 5-82 6-85 (100)
128 UniRef100_UPI0021506BE2 Spike 95.5 0.0074 1.4E-08 69.7 0.0 52 1134-1187 42-93 (250)
129 UniRef100_A0A7D6QGV8 Non-struc 93.1 0.17 3.2E-07 67.3 0.0 194 305-506 592-807 (890)
130 UniRef100_A0A7D6QGV8 Non-struc 92.8 0.22 4E-07 66.5 0.0 197 13-228 601-806 (890)
131 UniRef100_A0A089FJG8 VP1 (Frag 91.6 0.44 8.3E-07 59.4 0.0 197 13-229 55-262 (323)
132 UniRef100_A0A1L3KJ41 S protein 89.0 1.1 2.3E-06 63.9 0.0 152 916-1076 683-834 (986)
133 UniRef100_A0A1E2YE46 Heat shoc 85.4 3.1 5.8E-06 46.4 0.0 40 934-973 62-105 (117)
134 UniRef100_A0A9D4KXP1 Uncharact 83.9 4.3 7.8E-06 58.6 0.0 114 882-997 979-1097(1690)
135 UniRef100_A0A0G2J7V5 Uncharact 82.4 5.4 1E-05 44.9 0.0 41 933-973 67-111 (122)
136 UniRef100_A0A8T7GN55 Carboxype 79.5 7.7 1.5E-05 52.5 0.0 83 908-992 265-350 (452)
137 UniRef100_A0A256Z473 Uncharact 79.3 6 1.5E-05 55.2 0.0 57 911-971 234-290 (434)
138 UniRef100_A0A177RC14 Uncharact 76.9 8.1 2.1E-05 52.7 0.0 81 892-972 80-169 (350)
139 UniRef100_A0A089FJG8 VP1 (Frag 71.7 18 3.5E-05 47.4 0.0 182 305-494 46-240 (323)
140 UniRef100_A0A2A4V052 Uroporphy 69.6 17 4.2E-05 51.7 0.0 113 874-1006 75-210 (443)
141 UniRef100_A0A024TLL1 SUN domai 64.5 32 6.3E-05 48.1 0.0 71 950-1020 404-475 (505)
142 UniRef100_A0A8T7GN55 Carboxype 64.2 33 6.4E-05 47.7 0.0 103 913-1025 224-326 (452)
143 UniRef100_A0A1H3SEM7 Uncharact 63.5 29 6.8E-05 53.6 0.0 84 914-1003 410-497 (1073)
144 UniRef100_A0A0M6WZY7 Methyl-ac 60.3 37 8.5E-05 50.4 0.0 108 904-1014 303-420 (629)
145 UniRef100_A0A099T2B5 Flagella 56.8 51 0.00011 46.7 0.0 96 878-973 160-267 (424)
146 UniRef100_A0A966KEI6 Uncharact 56.1 60 0.00011 40.5 0.0 33 958-990 77-114 (185)
147 UniRef100_A0A086WSP0 histidine 55.3 43 0.00012 52.3 0.0 113 904-1016 556-675 (947)
148 UniRef100_A0A084IMX3 Flagellar 54.7 47 0.00012 49.3 0.0 121 885-1009 362-491 (562)
149 UniRef100_A0A522D5R2 Methyl-ac 53.9 66 0.00013 48.2 0.0 105 904-1011 557-671 (895)
150 UniRef100_A0A0M9AIM7 HAMP doma 53.7 54 0.00013 49.6 0.0 104 900-1014 469-609 (686)
151 UniRef100_A0A0G0AQN9 Uncharact 53.0 60 0.00014 45.1 0.0 63 909-971 251-317 (323)
152 UniRef100_A0A060VPW2 Collectin 52.9 63 0.00014 50.1 0.0 111 898-1010 386-526 (1003)
153 UniRef100_A0A0P0N112 Uncharact 52.5 70 0.00014 48.1 0.0 73 875-950 690-768 (872)
154 UniRef100_A0A2P8VZ13 DUF1887 d 51.8 66 0.00015 47.9 0.0 97 874-978 40-139 (615)
155 UniRef100_UPI00138F4D11 hypoth 51.0 84 0.00015 46.1 0.0 124 894-1017 140-270 (917)
156 UniRef100_A0A1Q4RPT1 Uncharact 47.4 88 0.00019 48.2 0.0 47 906-952 328-374 (844)
157 UniRef100_A0A508A1J1 t-SNARE c 46.0 1E+02 0.00021 38.6 0.0 105 898-1004 5-126 (151)
158 UniRef100_A0A2M8PPH2 HAMP doma 43.5 1.2E+02 0.00024 42.4 0.0 116 858-973 210-330 (374)
159 UniRef100_A0A0F2QXD1 Chromosom 43.0 90 0.00025 43.6 0.0 94 880-973 86-203 (303)
160 UniRef100_A0A2K8N635 DUF1664 d 42.9 1.3E+02 0.00025 36.0 0.0 62 911-972 28-92 (123)
161 UniRef100_A0A073J5Y1 Mitochond 42.8 93 0.00025 46.3 0.0 49 946-994 256-311 (504)
162 UniRef100_A0A2M7CHH4 t-SNARE c 42.3 1.4E+02 0.00026 36.9 0.0 50 942-991 80-129 (155)
163 UniRef100_A0A161VQZ0 Uncharact 42.1 1.3E+02 0.00026 45.3 0.0 65 906-971 117-181 (625)
164 UniRef100_A0A9C9Z8J7 Uncharact 40.2 1.5E+02 0.00029 41.2 0.0 115 904-1018 37-158 (333)
165 UniRef100_A0A108TBW5 Chromosom 40.2 1.4E+02 0.00029 46.7 0.0 115 884-1002 371-521 (906)
SANT- 40.2 1.5E+02 0.00029 41.6 0.0 88 918-1006 297-386 (389)
167 UniRef100_A0A0P9EFA1 Phospholi 39.7 1.2E+02 0.0003 43.5 0.0 51 951-1001 266-318 (346)
168 UniRef100_A0A0K1E1L9 ABC-type 39.4 1.3E+02 0.00031 44.6 0.0 66 924-995 357-425 (457)
169 UniRef100_A0A662RX13 CARDB dom 39.0 1.7E+02 0.00032 42.6 0.0 68 944-1015 526-597 (679)
170 UniRef100_A0A258DE44 Methyl-ac 39.0 1.4E+02 0.00032 46.2 0.0 113 902-1014 268-389 (758)
171 UniRef100_A0A3N5X3Q3 Methyl-ac 38.9 1.4E+02 0.00032 46.1 0.0 75 903-977 389-466 (731)
172 UniRef100_A0A1H6XRX4 RHS repea 38.6 1.8E+02 0.00032 35.9 0.0 58 1131-1188 54-111 (143)
173 UniRef100_A0A2D0RDU5 Collectin 38.4 1.7E+02 0.00033 46.3 0.0 111 898-1011 286-427 (1287)
174 UniRef100_A0A010PRF4 DNA repai 38.2 1.2E+02 0.00033 48.2 0.0 113 899-1013 364-481 (871)
MobD 38.2 1.6E+02 0.00033 36.8 0.0 75 926-1001 10-92 (130)
176 UniRef100_A0A2E1ED93 DUF4164 d 38.2 1.7E+02 0.00033 36.9 0.0 78 914-999 62-139 (149)
177 UniRef100_A0A0F2JE98 Methyl-ac 38.1 1.2E+02 0.00033 47.9 0.0 20 904-923 387-406 (843)
178 UniRef100_A0A090J3L6 Fungal li 37.2 1.4E+02 0.00035 44.9 0.0 85 929-1017 409-505 (543)
MlaD 37.0 1.3E+02 0.00036 45.2 0.0 80 896-975 160-241 (528)
180 UniRef100_A0A971D0U2 MBG domai 36.9 1.9E+02 0.00036 44.2 0.0 112 884-998 439-560 (1073)
181 UniRef100_A0A066V366 Laminin d 35.2 1.7E+02 0.0004 44.1 0.0 82 884-965 331-414 (534)
182 UniRef100_A0A7V1ZE80 Uncharact 35.1 2.2E+02 0.0004 33.8 0.0 84 889-976 12-98 (106)
183 UniRef100_A0A2G6FCF6 Uncharact 35.0 1.6E+02 0.0004 42.6 0.0 92 917-1012 176-273 (368)
184 UniRef100_A0A143BML1 t-SNARE c 34.9 1.6E+02 0.00041 43.1 0.0 67 916-982 216-285 (405)
185 UniRef100_A0A087R1U4 Biogenesi 34.8 2E+02 0.00041 37.6 0.0 52 963-1014 115-172 (187)
186 UniRef100_A0A930IBI9 DUF2150 f 34.4 2E+02 0.00042 41.3 0.0 123 881-1012 32-155 (350)
187 UniRef100_A0A0B5QD04 Methyl-ac 34.4 1.4E+02 0.00042 46.5 0.0 99 905-1010 386-484 (716)
188 UniRef100_A0A063YYS5 Chemotaxi 34.2 1.6E+02 0.00042 45.2 0.0 209 801-1014 124-378 (608)
189 UniRef100_A0A010R662 Structura 34.1 1.7E+02 0.00043 50.1 0.0 126 862-1005 1224-1352(2106)
190 UniRef100_A0A0S2I2D1 Methyl-ac 34.0 1.7E+02 0.00043 44.9 0.0 101 904-1012 276-384 (596)
191 UniRef100_A0A430R550 SLH domai 33.9 2.1E+02 0.00043 41.4 0.0 81 918-998 169-260 (391)
192 UniRef100_A0A0Q6XJR0 DUF1983 d 33.5 2.1E+02 0.00044 44.3 0.0 84 889-972 151-234 (810)
193 UniRef100_A0A2J6GZL6 Methyl-ac 33.5 2E+02 0.00044 43.9 0.0 112 897-1013 261-387 (597)
194 UniRef100_A0A0G0TBH6 Glycosyl 33.2 1.9E+02 0.00045 46.4 0.0 88 884-976 247-337 (1006)
195 UniRef100_A0A090YQR3 Methyl-ac 33.2 1.6E+02 0.00045 44.5 0.0 58 904-965 188-245 (534)
196 UniRef100_A0A085M0A3 Laminin G 33.1 2.1E+02 0.00045 48.7 0.0 90 926-1019 1125-1225(2260)
197 UniRef100_A0A7M7G110 SUN domai 32.7 2.1E+02 0.00047 47.0 0.0 93 882-974 1096-1188(1404)
198 UniRef100_A0A022NAV7 Phage inf 32.5 2.1E+02 0.00047 46.5 0.0 18 1088-1105 829-846 (1158)
TolQ 32.3 1.8E+02 0.00048 45.2 0.0 88 881-968 349-441 (654)
200 UniRef100_A0A1Y5DYU7 Methyl-ac 32.3 2E+02 0.00048 43.7 0.0 60 904-963 231-297 (524)
201 UniRef100_A0A1G3KZN6 Methyl-ac 32.0 1.7E+02 0.00049 46.5 0.0 140 875-1015 430-585 (842)
202 UniRef100_A0A011T934 DNA repai 30.9 1.7E+02 0.00052 45.4 0.0 20 899-918 280-299 (685)
203 UniRef100_A0A1H7ZF10 Methyl-ac 30.3 2.6E+02 0.00054 42.4 0.0 70 903-976 303-372 (585)
204 UniRef100_A0A058ZLS1 Mitochond 30.2 1.9E+02 0.00054 43.6 0.0 26 949-974 254-279 (503)
205 UniRef100_A0A2T7PEL7 C-type le 30.2 2.1E+02 0.00055 45.2 0.0 36 936-971 396-431 (751)
206 UniRef100_A0A2G1ZU66 PAS domai 30.1 2.7E+02 0.00055 39.5 0.0 66 901-970 175-240 (318)
207 UniRef100_A0A022LC25 Phage inf 30.0 2.1E+02 0.00055 46.2 0.0 47 908-954 343-389 (914)
208 UniRef100_A0A1W9RT00 Methyl-ac 29.8 2.7E+02 0.00056 42.9 0.0 58 904-965 338-395 (672)
209 UniRef100_A0A0L6W2M0 Methyl-ac 29.6 2.8E+02 0.00057 42.2 0.0 64 917-980 224-290 (615)
210 UniRef100_A0A0B7BK04 Laminin s 29.2 2.4E+02 0.00058 50.1 0.0 130 880-1014 1815-1962(2999)
211 UniRef100_A0A1V4QXH2 t-SNARE c 29.2 3.2E+02 0.00058 35.2 0.0 105 893-1001 12-117 (177)
212 UniRef100_A0A6G0MKR0 Uncharact 29.1 3E+02 0.00059 36.6 0.0 97 881-986 58-155 (203)
213 UniRef100_A0A0Q2M686 DUF4226 d 28.7 2.5E+02 0.0006 42.9 0.0 106 919-1027 91-200 (529)
214 UniRef100_A0A6M4JDI9 Uncharact 28.7 3.1E+02 0.0006 41.4 0.0 44 1130-1173 263-307 (642)
215 UniRef100_A0A1F7F3E7 Chemotaxi 28.4 2.3E+02 0.00061 44.7 0.0 62 904-965 402-466 (734)
216 UniRef100_A0A074J9P9 Mitochond 28.4 2.2E+02 0.00061 43.5 0.0 24 850-873 201-224 (535)
217 UniRef100_A0A1E5FZ23 Chemotaxi 28.1 2.4E+02 0.00063 44.4 0.0 83 904-986 378-464 (707)
218 UniRef100_A0A6P4XPV2 Protein C 28.1 3.3E+02 0.00063 39.8 0.0 122 896-1026 40-161 (477)
219 UniRef100_A0A256Z473 Uncharact 28.1 2.4E+02 0.00063 42.1 0.0 58 946-1013 223-280 (434)
220 UniRef100_A0A023D339 Paraquat- 27.9 2.2E+02 0.00063 42.2 0.0 56 904-961 214-269 (423)
221 UniRef100_A0A1B6B8Z2 Methyl-ac 27.3 3.2E+02 0.00066 42.6 0.0 110 904-1013 393-509 (717)
222 UniRef100_A0A0B5QVB4 Methyl-ac 26.5 2.9E+02 0.0007 43.6 0.0 69 904-972 392-491 (717)
223 UniRef100_A0A090ECA4 Uncharact 26.3 2.5E+02 0.00071 42.2 0.0 76 899-974 184-259 (453)
224 UniRef100_A0A0E0UD06 Transmemb 25.7 3.3E+02 0.00074 41.4 0.0 101 923-1023 297-426 (500)
225 UniRef100_A0A0C1QQS9 Uncharact 25.3 3.2E+02 0.00076 43.4 0.0 42 877-918 80-128 (735)
226 UniRef100_A0A1T5BHF6 Two compo 25.3 3.1E+02 0.00076 45.1 0.0 80 895-974 833-912 (1089)
227 UniRef100_A0A6G7PUM8 HAMP doma 25.2 3.8E+02 0.00076 41.3 0.0 70 901-970 241-320 (656)
228 UniRef100_A0A0A2SF03 Chemotaxi 25.0 2.7E+02 0.00077 43.2 0.0 62 904-969 264-325 (596)
229 UniRef100_A0A0H4PKB4 Methyl-ac 24.9 3.4E+02 0.00078 40.8 0.0 105 908-1016 301-413 (439)
230 UniRef100_A0A0A8WMI4 Methyl-ac 24.1 3.1E+02 0.00083 43.8 0.0 107 907-1020 533-645 (746)
231 UniRef100_A0A3N2E798 peptidylp 23.9 3.8E+02 0.00084 41.4 0.0 130 883-1015 104-239 (569)
232 UniRef100_A0A101X814 Uncharact 23.8 3.9E+02 0.00085 40.5 0.0 27 887-913 15-41 (481)
233 UniRef100_A0A0K8MB15 Mce relat 23.3 3.4E+02 0.00088 39.6 0.0 97 897-999 187-291 (332)
234 UniRef100_A0A1A9R797 Phage tai 23.2 3.3E+02 0.00088 44.5 0.0 114 880-994 317-443 (932)
235 UniRef100_A0A017RUL3 Methyl-ac 23.2 2.9E+02 0.00088 43.9 0.0 65 907-975 589-653 (764)
236 UniRef100_A0A088F0Z2 CAP-Gly p 23.1 3.4E+02 0.00089 40.5 0.0 41 977-1017 274-314 (396)
237 UniRef100_A0A017RYD0 Methyl-ac 23.0 3.5E+02 0.00089 42.2 0.0 138 875-1016 211-365 (578)
238 UniRef100_A0A7C9QUS5 Uncharact 23.0 4.6E+02 0.00089 39.6 0.0 125 880-1005 235-380 (550)
239 UniRef100_UPI00187D7964 glycin 23.0 4.7E+02 0.0009 38.7 0.0 63 932-994 322-386 (478)
240 UniRef100_UPI0011DD142E hypoth 23.0 4.7E+02 0.0009 34.6 0.0 73 1101-1182 101-176 (186)
241 UniRef100_A0A108TBW5 Chromosom 22.9 4.2E+02 0.0009 42.7 0.0 105 898-1002 322-448 (906)
242 UniRef100_A0A0B7BK04 Laminin s 22.9 3.7E+02 0.0009 48.4 0.0 43 973-1016 1838-1880(2999)
243 UniRef100_A0A1G0YMZ8 DUF4175 d 22.8 3.4E+02 0.00091 44.6 0.0 72 947-1030 743-816 (962)
244 UniRef100_A0A7J4DUH4 V-type AT 22.8 4.6E+02 0.00091 32.8 0.0 53 917-969 14-67 (116)
245 UniRef100_A0A0C5VVM8 Chromosom 22.4 3.9E+02 0.00094 39.2 0.0 93 881-981 148-269 (340)
246 UniRef100_A0A084JNG3 Phage inf 22.4 3.8E+02 0.00094 42.9 0.0 72 904-975 299-374 (744)
247 UniRef100_A0A349B9T4 Uncharact 22.2 4.8E+02 0.00095 38.1 0.0 166 895-1069 140-322 (386)
248 UniRef100_A0A090ZUN6 Methyl-ac 22.2 3.2E+02 0.00096 42.8 0.0 58 904-965 277-334 (643)
249 UniRef100_A0A174RCF4 Septal ri 22.1 3.5E+02 0.00096 40.7 0.0 98 882-987 58-156 (429)
250 UniRef100_A0A1C5N4E2 Uncharact 21.8 4.1E+02 0.00098 38.1 0.0 85 922-1011 156-251 (282)
251 UniRef100_A0A3M6UUT1 Uncharact 21.6 4.5E+02 0.00099 37.4 0.0 46 928-973 67-112 (262)
252 UniRef100_A0A0A8X4T6 Uncharact 21.3 3.6E+02 0.001 38.5 0.0 87 882-973 45-132 (284)
253 UniRef100_A0A0K8JGA3 Methyl-ac 21.2 4.3E+02 0.001 40.5 0.0 185 835-1034 119-323 (481)
254 UniRef100_A0A258GQ73 Peptidogl 21.1 4.9E+02 0.001 43.4 0.0 78 898-975 416-500 (1310)
255 UniRef100_A0A0S3TX49 Uncharact 21.1 4E+02 0.001 42.8 0.0 68 902-977 176-244 (750)
256 UniRef100_A0A1Y0IFL3 50S ribos 21.1 3.9E+02 0.001 38.7 0.0 63 912-974 188-250 (309)
257 UniRef100_A0A5C8JGQ5 Phage tai 20.7 4.8E+02 0.0011 42.6 0.0 81 890-973 601-681 (923)
258 UniRef100_A0A1F3DI85 Uncharact 20.7 4.7E+02 0.0011 33.4 0.0 60 1120-1182 41-104 (119)
259 UniRef100_A0A0F5ASV0 Chemotaxi 20.5 4.4E+02 0.0011 39.7 0.0 101 904-1005 92-214 (410)
260 UniRef100_A0A068Z5M4 Type III 20.4 4.7E+02 0.0011 41.7 0.0 144 884-1027 119-309 (679)
261 UniRef100_A0A0E4GBT4 Methyl-ac 20.4 3.9E+02 0.0011 41.1 0.0 58 904-965 145-202 (508)
262 UniRef100_A0A2A5NXX2 t-SNARE c 20.3 4.8E+02 0.0011 33.4 0.0 37 937-973 21-57 (120)
Align structures finished.
====================================================================Modeling finished====================================================================
Selected strategy mode: strategy 1
Input query sequence: CVNLTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHAISGTNGTKRFDNPVLPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLGVYHKNNKSWMESEFRVYSSANNCTFEYVSQPFLMDLEGKQGNFKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQTLLALHRSYLTPGDSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLTGTGVLTESNKKFLPFQQFGRDIDDTTDAVRDPQTLEILDITPCSFGGVSVITPGTNTSNQVAVLYQGVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEHVNNSYECDIPIGAGICASYQTQTNSHGSASSVASQSIIAYTMSLGAENSVAYSNNSIAIPINFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQEVFAQVKQIYKTPPIKDFGGFNFSQILPDPSKPSKRSFIEDLLFNKVTLADAGFIKQYGDCLGDIAARDLICAQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGAALQIPFAMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTASALGKLQDVVNQNAQALNTLVKQLSSNFGAISSVLNDILARLDPPEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPAICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTHNTFVSGNCDVVIGIVNNTVYDPLQPELDSFKEELDKYFKNHTSPDVDLGDISGINASVVNIQKEIDRLNEVAKNLNESLIDLQELGKYEQ
Job ID: 5a4e3034f8981212b955983c7f8c5177_0e43d
Number of models to use: 0
Template mode: custom
DAQ
====================================================================Modeling finished====================================================================
INFO: STEP-2: Running Vanilla AF2
(prefix: 'str', result_dir: 'Path', feature_dict: 'Dict[str, Any]', is_complex: 'bool', use_templates: 'bool', sequences_lengths: 'List[int]', pad_len: 'int', model_type: 'str', model_runner_and_params: 'List[Tuple[str, model.RunModel, haiku.Params]]', num_relax: 'int' = 0, rank_by: 'str' = 'auto', random_seed: 'int' = 0, num_seeds: 'int' = 1, stop_at_score: 'float' = 100, prediction_callback: 'Callable[[Any, Any, Any, Any, Any], Any]' = None, use_gpu_relax: 'bool' = False, save_all: 'bool' = False, save_single_representations: 'bool' = False, save_pair_representations: 'bool' = False, save_recycles: 'bool' = False)
INFO: Input Protein Sequence and DAQ result file started
chain_B
Prepare trimmed template finished.
MSA finished.(if applicable)
INFO: Input Protein Sequence and DAQ result file Done
INFO: Modeling Part started
chain_B
MSA settings finished.
Advanced settings finished.
DAQ-Refine
Install dependencies finished.
GPU is not available.
chain_B
start running download_alphafold
local msa started
Prediction finished.
INFO: Modeling Part Done
chain_B
chain_B
align structure to input map
rank_001_alphafold2_ptm_model_4_seed_000_af2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.7 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=1015874715 seed_offset=0 real_seed=1015874715
core.init.random: RandomGenerator:init: Normal mode, seed=1015874715 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.08 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
core.conformation.Conformation: Found disulfide between residues 1 120
core.conformation.Conformation: current variant for 1 CYS
core.conformation.Conformation: current variant for 120 CYS
core.conformation.Conformation: current variant for 1 CYD
core.conformation.Conformation: current variant for 120 CYD
core.conformation.Conformation: Found disulfide between residues 115 149
core.conformation.Conformation: current variant for 115 CYS
core.conformation.Conformation: current variant for 149 CYS
core.conformation.Conformation: current variant for 115 CYD
core.conformation.Conformation: current variant for 149 CYD
core.conformation.Conformation: Found disulfide between residues 274 284
core.conformation.Conformation: current variant for 274 CYS
core.conformation.Conformation: current variant for 284 CYS
core.conformation.Conformation: current variant for 274 CYD
core.conformation.Conformation: current variant for 284 CYD
core.conformation.Conformation: Found disulfide between residues 319 344
core.conformation.Conformation: current variant for 319 CYS
core.conformation.Conformation: current variant for 344 CYS
core.conformation.Conformation: current variant for 319 CYD
core.conformation.Conformation: current variant for 344 CYD
core.conformation.Conformation: Found disulfide between residues 362 415
core.conformation.Conformation: current variant for 362 CYS
core.conformation.Conformation: current variant for 415 CYS
core.conformation.Conformation: current variant for 362 CYD
core.conformation.Conformation: current variant for 415 CYD
core.conformation.Conformation: Found disulfide between residues 374 508
core.conformation.Conformation: current variant for 374 CYS
core.conformation.Conformation: current variant for 508 CYS
core.conformation.Conformation: current variant for 374 CYD
core.conformation.Conformation: current variant for 508 CYD
core.conformation.Conformation: Found disulfide between residues 463 471
core.conformation.Conformation: current variant for 463 CYS
core.conformation.Conformation: current variant for 471 CYS
core.conformation.Conformation: current variant for 463 CYD
core.conformation.Conformation: current variant for 471 CYD
core.conformation.Conformation: Found disulfide between residues 521 573
core.conformation.Conformation: current variant for 521 CYS
core.conformation.Conformation: current variant for 573 CYS
core.conformation.Conformation: current variant for 521 CYD
core.conformation.Conformation: current variant for 573 CYD
core.conformation.Conformation: Found disulfide between residues 600 632
core.conformation.Conformation: current variant for 600 CYS
core.conformation.Conformation: current variant for 632 CYS
core.conformation.Conformation: current variant for 600 CYD
core.conformation.Conformation: current variant for 632 CYD
core.conformation.Conformation: Found disulfide between residues 645 654
core.conformation.Conformation: current variant for 645 CYS
core.conformation.Conformation: current variant for 654 CYS
core.conformation.Conformation: current variant for 645 CYD
core.conformation.Conformation: current variant for 654 CYD
core.conformation.Conformation: Found disulfide between residues 721 743
core.conformation.Conformation: current variant for 721 CYS
core.conformation.Conformation: current variant for 743 CYS
core.conformation.Conformation: current variant for 721 CYD
core.conformation.Conformation: current variant for 743 CYD
core.conformation.Conformation: Found disulfide between residues 823 834
core.conformation.Conformation: current variant for 823 CYS
core.conformation.Conformation: current variant for 834 CYS
core.conformation.Conformation: current variant for 823 CYD
core.conformation.Conformation: current variant for 834 CYD
core.conformation.Conformation: Found disulfide between residues 1015 1026
core.conformation.Conformation: current variant for 1015 CYS
core.conformation.Conformation: current variant for 1026 CYS
core.conformation.Conformation: current variant for 1015 CYD
core.conformation.Conformation: current variant for 1026 CYD
core.conformation.Conformation: Found disulfide between residues 1065 1109
core.conformation.Conformation: current variant for 1065 CYS
core.conformation.Conformation: current variant for 1109 CYS
core.conformation.Conformation: current variant for 1065 CYD
core.conformation.Conformation: current variant for 1109 CYD
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.7A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: celldim: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.7
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (1192)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (1192)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
26.5454 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.22 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 10654.9 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22752 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 60357436 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -12103.3 0.997535 0.997535 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20682 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 51840436 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -11707 1.25883 1.25883 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19949 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 48456332 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -11597.9 1.53273 1.53273 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19392 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 45799768 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -11414.4 1.76108 1.76108 0.55
protocols.relax.FastRelax: MRP: 0 -11414.4 -11414.4 1.76108 1.76108
protocols.relax.FastRelax: CMD: accept_to_best -11414.4 1.76108 1.76108 0.55
protocols.relax.FastRelax: CMD: endrepeat -11414.4 1.76108 1.76108 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22987 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 61918972 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -13678.8 2.06595 2.06595 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20032 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 49851576 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -12581.7 2.10719 2.10719 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19570 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 47187736 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -12260.8 2.28998 2.28998 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19305 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 45611232 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -12028.7 2.50982 2.50982 0.55
protocols.relax.FastRelax: MRP: 1 -12028.7 -12028.7 2.50982 2.50982
protocols.relax.FastRelax: CMD: accept_to_best -12028.7 2.50982 2.50982 0.55
protocols.relax.FastRelax: CMD: endrepeat -12028.7 2.50982 2.50982 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 1878 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 1878 seconds
chain_B
align structure to input map
rank_002_alphafold2_ptm_model_2_seed_000_af2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.7 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=295650036 seed_offset=0 real_seed=295650036
core.init.random: RandomGenerator:init: Normal mode, seed=295650036 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.12 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
core.conformation.Conformation: Found disulfide between residues 1 120
core.conformation.Conformation: current variant for 1 CYS
core.conformation.Conformation: current variant for 120 CYS
core.conformation.Conformation: current variant for 1 CYD
core.conformation.Conformation: current variant for 120 CYD
core.conformation.Conformation: Found disulfide between residues 115 149
core.conformation.Conformation: current variant for 115 CYS
core.conformation.Conformation: current variant for 149 CYS
core.conformation.Conformation: current variant for 115 CYD
core.conformation.Conformation: current variant for 149 CYD
core.conformation.Conformation: Found disulfide between residues 274 284
core.conformation.Conformation: current variant for 274 CYS
core.conformation.Conformation: current variant for 284 CYS
core.conformation.Conformation: current variant for 274 CYD
core.conformation.Conformation: current variant for 284 CYD
core.conformation.Conformation: Found disulfide between residues 319 344
core.conformation.Conformation: current variant for 319 CYS
core.conformation.Conformation: current variant for 344 CYS
core.conformation.Conformation: current variant for 319 CYD
core.conformation.Conformation: current variant for 344 CYD
core.conformation.Conformation: Found disulfide between residues 362 415
core.conformation.Conformation: current variant for 362 CYS
core.conformation.Conformation: current variant for 415 CYS
core.conformation.Conformation: current variant for 362 CYD
core.conformation.Conformation: current variant for 415 CYD
core.conformation.Conformation: Found disulfide between residues 374 508
core.conformation.Conformation: current variant for 374 CYS
core.conformation.Conformation: current variant for 508 CYS
core.conformation.Conformation: current variant for 374 CYD
core.conformation.Conformation: current variant for 508 CYD
core.conformation.Conformation: Found disulfide between residues 463 471
core.conformation.Conformation: current variant for 463 CYS
core.conformation.Conformation: current variant for 471 CYS
core.conformation.Conformation: current variant for 463 CYD
core.conformation.Conformation: current variant for 471 CYD
core.conformation.Conformation: Found disulfide between residues 521 573
core.conformation.Conformation: current variant for 521 CYS
core.conformation.Conformation: current variant for 573 CYS
core.conformation.Conformation: current variant for 521 CYD
core.conformation.Conformation: current variant for 573 CYD
core.conformation.Conformation: Found disulfide between residues 600 632
core.conformation.Conformation: current variant for 600 CYS
core.conformation.Conformation: current variant for 632 CYS
core.conformation.Conformation: current variant for 600 CYD
core.conformation.Conformation: current variant for 632 CYD
core.conformation.Conformation: Found disulfide between residues 645 654
core.conformation.Conformation: current variant for 645 CYS
core.conformation.Conformation: current variant for 654 CYS
core.conformation.Conformation: current variant for 645 CYD
core.conformation.Conformation: current variant for 654 CYD
core.conformation.Conformation: Found disulfide between residues 721 743
core.conformation.Conformation: current variant for 721 CYS
core.conformation.Conformation: current variant for 743 CYS
core.conformation.Conformation: current variant for 721 CYD
core.conformation.Conformation: current variant for 743 CYD
core.conformation.Conformation: Found disulfide between residues 726 732
core.conformation.Conformation: current variant for 726 CYS
core.conformation.Conformation: current variant for 732 CYS
core.conformation.Conformation: current variant for 726 CYD
core.conformation.Conformation: current variant for 732 CYD
core.conformation.Conformation: Found disulfide between residues 823 834
core.conformation.Conformation: current variant for 823 CYS
core.conformation.Conformation: current variant for 834 CYS
core.conformation.Conformation: current variant for 823 CYD
core.conformation.Conformation: current variant for 834 CYD
core.conformation.Conformation: Found disulfide between residues 1015 1026
core.conformation.Conformation: current variant for 1015 CYS
core.conformation.Conformation: current variant for 1026 CYS
core.conformation.Conformation: current variant for 1015 CYD
core.conformation.Conformation: current variant for 1026 CYD
core.conformation.Conformation: Found disulfide between residues 1065 1109
core.conformation.Conformation: current variant for 1065 CYS
core.conformation.Conformation: current variant for 1109 CYS
core.conformation.Conformation: current variant for 1065 CYD
core.conformation.Conformation: current variant for 1109 CYD
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.7A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: celldim: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.7
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (1192)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (1192)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
26.5454 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.22 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 19460 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22537 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 59764444 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -14130.6 1.17966 1.17966 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20538 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 51751612 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -14095 1.69538 1.69538 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19813 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 48243208 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -14265.4 2.08364 2.08364 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19383 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 46124612 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -14253.4 2.41184 2.41184 0.55
protocols.relax.FastRelax: MRP: 0 -14253.4 -14253.4 2.41184 2.41184
protocols.relax.FastRelax: CMD: accept_to_best -14253.4 2.41184 2.41184 0.55
protocols.relax.FastRelax: CMD: endrepeat -14253.4 2.41184 2.41184 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22893 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 61345860 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -16803.1 2.79079 2.79079 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19947 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 50320448 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -15725.7 2.90003 2.90003 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19859 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 48835992 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -15447.1 3.10447 3.10447 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19456 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 46130980 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -15156.2 3.30264 3.30264 0.55
protocols.relax.FastRelax: MRP: 1 -15156.2 -15156.2 3.30264 3.30264
protocols.relax.FastRelax: CMD: accept_to_best -15156.2 3.30264 3.30264 0.55
protocols.relax.FastRelax: CMD: endrepeat -15156.2 3.30264 3.30264 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 1954 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 1955 seconds
chain_B
align structure to input map
rank_003_alphafold2_ptm_model_1_seed_000_af2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.7 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=1793840425 seed_offset=0 real_seed=1793840425
core.init.random: RandomGenerator:init: Normal mode, seed=1793840425 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.04 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
core.conformation.Conformation: Found disulfide between residues 1 120
core.conformation.Conformation: current variant for 1 CYS
core.conformation.Conformation: current variant for 120 CYS
core.conformation.Conformation: current variant for 1 CYD
core.conformation.Conformation: current variant for 120 CYD
core.conformation.Conformation: Found disulfide between residues 115 149
core.conformation.Conformation: current variant for 115 CYS
core.conformation.Conformation: current variant for 149 CYS
core.conformation.Conformation: current variant for 115 CYD
core.conformation.Conformation: current variant for 149 CYD
core.conformation.Conformation: Found disulfide between residues 274 284
core.conformation.Conformation: current variant for 274 CYS
core.conformation.Conformation: current variant for 284 CYS
core.conformation.Conformation: current variant for 274 CYD
core.conformation.Conformation: current variant for 284 CYD
core.conformation.Conformation: Found disulfide between residues 319 344
core.conformation.Conformation: current variant for 319 CYS
core.conformation.Conformation: current variant for 344 CYS
core.conformation.Conformation: current variant for 319 CYD
core.conformation.Conformation: current variant for 344 CYD
core.conformation.Conformation: Found disulfide between residues 362 415
core.conformation.Conformation: current variant for 362 CYS
core.conformation.Conformation: current variant for 415 CYS
core.conformation.Conformation: current variant for 362 CYD
core.conformation.Conformation: current variant for 415 CYD
core.conformation.Conformation: Found disulfide between residues 374 508
core.conformation.Conformation: current variant for 374 CYS
core.conformation.Conformation: current variant for 508 CYS
core.conformation.Conformation: current variant for 374 CYD
core.conformation.Conformation: current variant for 508 CYD
core.conformation.Conformation: Found disulfide between residues 463 471
core.conformation.Conformation: current variant for 463 CYS
core.conformation.Conformation: current variant for 471 CYS
core.conformation.Conformation: current variant for 463 CYD
core.conformation.Conformation: current variant for 471 CYD
core.conformation.Conformation: Found disulfide between residues 521 573
core.conformation.Conformation: current variant for 521 CYS
core.conformation.Conformation: current variant for 573 CYS
core.conformation.Conformation: current variant for 521 CYD
core.conformation.Conformation: current variant for 573 CYD
core.conformation.Conformation: Found disulfide between residues 600 632
core.conformation.Conformation: current variant for 600 CYS
core.conformation.Conformation: current variant for 632 CYS
core.conformation.Conformation: current variant for 600 CYD
core.conformation.Conformation: current variant for 632 CYD
core.conformation.Conformation: Found disulfide between residues 645 654
core.conformation.Conformation: current variant for 645 CYS
core.conformation.Conformation: current variant for 654 CYS
core.conformation.Conformation: current variant for 645 CYD
core.conformation.Conformation: current variant for 654 CYD
core.conformation.Conformation: Found disulfide between residues 721 743
core.conformation.Conformation: current variant for 721 CYS
core.conformation.Conformation: current variant for 743 CYS
core.conformation.Conformation: current variant for 721 CYD
core.conformation.Conformation: current variant for 743 CYD
core.conformation.Conformation: Found disulfide between residues 726 732
core.conformation.Conformation: current variant for 726 CYS
core.conformation.Conformation: current variant for 732 CYS
core.conformation.Conformation: current variant for 726 CYD
core.conformation.Conformation: current variant for 732 CYD
core.conformation.Conformation: Found disulfide between residues 823 834
core.conformation.Conformation: current variant for 823 CYS
core.conformation.Conformation: current variant for 834 CYS
core.conformation.Conformation: current variant for 823 CYD
core.conformation.Conformation: current variant for 834 CYD
core.conformation.Conformation: Found disulfide between residues 1015 1026
core.conformation.Conformation: current variant for 1015 CYS
core.conformation.Conformation: current variant for 1026 CYS
core.conformation.Conformation: current variant for 1015 CYD
core.conformation.Conformation: current variant for 1026 CYD
core.conformation.Conformation: Found disulfide between residues 1065 1109
core.conformation.Conformation: current variant for 1065 CYS
core.conformation.Conformation: current variant for 1109 CYS
core.conformation.Conformation: current variant for 1065 CYD
core.conformation.Conformation: current variant for 1109 CYD
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.7A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: celldim: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.7
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (1192)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (1192)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
26.5454 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.22 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 16124.3 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22062 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 58418180 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -14124 1.16915 1.16915 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20596 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 51417464 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -14175.8 1.6566 1.6566 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19971 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 48024644 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -14372.4 1.99494 1.99494 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19551 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 46123964 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -14328.5 2.37705 2.37705 0.55
protocols.relax.FastRelax: MRP: 0 -14328.5 -14328.5 2.37705 2.37705
protocols.relax.FastRelax: CMD: accept_to_best -14328.5 2.37705 2.37705 0.55
protocols.relax.FastRelax: CMD: endrepeat -14328.5 2.37705 2.37705 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22869 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 61003440 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -16830.1 2.72721 2.72721 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20046 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 49949244 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -15844.7 2.82214 2.82214 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19792 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 48079812 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -15511.2 2.97009 2.97009 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19168 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 45059564 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -15225.8 3.09457 3.09457 0.55
protocols.relax.FastRelax: MRP: 1 -15225.8 -15225.8 3.09457 3.09457
protocols.relax.FastRelax: CMD: accept_to_best -15225.8 3.09457 3.09457 0.55
protocols.relax.FastRelax: CMD: endrepeat -15225.8 3.09457 3.09457 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 1906 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 1907 seconds
chain_B
align structure to input map
rank_004_alphafold2_ptm_model_3_seed_000_af2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.7 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=-42913024 seed_offset=0 real_seed=-42913024
core.init.random: RandomGenerator:init: Normal mode, seed=-42913024 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.2 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
core.conformation.Conformation: Found disulfide between residues 1 120
core.conformation.Conformation: current variant for 1 CYS
core.conformation.Conformation: current variant for 120 CYS
core.conformation.Conformation: current variant for 1 CYD
core.conformation.Conformation: current variant for 120 CYD
core.conformation.Conformation: Found disulfide between residues 115 149
core.conformation.Conformation: current variant for 115 CYS
core.conformation.Conformation: current variant for 149 CYS
core.conformation.Conformation: current variant for 115 CYD
core.conformation.Conformation: current variant for 149 CYD
core.conformation.Conformation: Found disulfide between residues 274 284
core.conformation.Conformation: current variant for 274 CYS
core.conformation.Conformation: current variant for 284 CYS
core.conformation.Conformation: current variant for 274 CYD
core.conformation.Conformation: current variant for 284 CYD
core.conformation.Conformation: Found disulfide between residues 319 344
core.conformation.Conformation: current variant for 319 CYS
core.conformation.Conformation: current variant for 344 CYS
core.conformation.Conformation: current variant for 319 CYD
core.conformation.Conformation: current variant for 344 CYD
core.conformation.Conformation: Found disulfide between residues 362 415
core.conformation.Conformation: current variant for 362 CYS
core.conformation.Conformation: current variant for 415 CYS
core.conformation.Conformation: current variant for 362 CYD
core.conformation.Conformation: current variant for 415 CYD
core.conformation.Conformation: Found disulfide between residues 374 508
core.conformation.Conformation: current variant for 374 CYS
core.conformation.Conformation: current variant for 508 CYS
core.conformation.Conformation: current variant for 374 CYD
core.conformation.Conformation: current variant for 508 CYD
core.conformation.Conformation: Found disulfide between residues 463 471
core.conformation.Conformation: current variant for 463 CYS
core.conformation.Conformation: current variant for 471 CYS
core.conformation.Conformation: current variant for 463 CYD
core.conformation.Conformation: current variant for 471 CYD
core.conformation.Conformation: Found disulfide between residues 521 573
core.conformation.Conformation: current variant for 521 CYS
core.conformation.Conformation: current variant for 573 CYS
core.conformation.Conformation: current variant for 521 CYD
core.conformation.Conformation: current variant for 573 CYD
core.conformation.Conformation: Found disulfide between residues 600 632
core.conformation.Conformation: current variant for 600 CYS
core.conformation.Conformation: current variant for 632 CYS
core.conformation.Conformation: current variant for 600 CYD
core.conformation.Conformation: current variant for 632 CYD
core.conformation.Conformation: Found disulfide between residues 645 654
core.conformation.Conformation: current variant for 645 CYS
core.conformation.Conformation: current variant for 654 CYS
core.conformation.Conformation: current variant for 645 CYD
core.conformation.Conformation: current variant for 654 CYD
core.conformation.Conformation: Found disulfide between residues 721 743
core.conformation.Conformation: current variant for 721 CYS
core.conformation.Conformation: current variant for 743 CYS
core.conformation.Conformation: current variant for 721 CYD
core.conformation.Conformation: current variant for 743 CYD
core.conformation.Conformation: Found disulfide between residues 726 732
core.conformation.Conformation: current variant for 726 CYS
core.conformation.Conformation: current variant for 732 CYS
core.conformation.Conformation: current variant for 726 CYD
core.conformation.Conformation: current variant for 732 CYD
core.conformation.Conformation: Found disulfide between residues 1015 1026
core.conformation.Conformation: current variant for 1015 CYS
core.conformation.Conformation: current variant for 1026 CYS
core.conformation.Conformation: current variant for 1015 CYD
core.conformation.Conformation: current variant for 1026 CYD
core.conformation.Conformation: Found disulfide between residues 1065 1109
core.conformation.Conformation: current variant for 1065 CYS
core.conformation.Conformation: current variant for 1109 CYS
core.conformation.Conformation: current variant for 1065 CYD
core.conformation.Conformation: current variant for 1109 CYD
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.7A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: celldim: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.7
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (1192)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (1192)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
26.5454 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.25 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 22360.1 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22809 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 61385072 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -13569.6 1.18765 1.18765 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20677 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 52345312 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -13291.3 1.60476 1.60476 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20016 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 48862748 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -13570.7 2.13287 2.13287 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19544 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 46039852 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -13728.9 2.52127 2.52127 0.55
protocols.relax.FastRelax: MRP: 0 -13728.9 -13728.9 2.52127 2.52127
protocols.relax.FastRelax: CMD: accept_to_best -13728.9 2.52127 2.52127 0.55
protocols.relax.FastRelax: CMD: endrepeat -13728.9 2.52127 2.52127 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22988 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 61452732 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -16291.5 2.8791 2.8791 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20152 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 50248396 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -15260.7 2.98994 2.98994 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19732 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 47286784 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -14975.4 3.15091 3.15091 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19380 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 45490856 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -14715.8 3.3358 3.3358 0.55
protocols.relax.FastRelax: MRP: 1 -14715.8 -14715.8 3.3358 3.3358
protocols.relax.FastRelax: CMD: accept_to_best -14715.8 3.3358 3.3358 0.55
protocols.relax.FastRelax: CMD: endrepeat -14715.8 3.3358 3.3358 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 1992 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 1993 seconds
chain_B
align structure to input map
rank_005_alphafold2_ptm_model_5_seed_000_af2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.7 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=-464665236 seed_offset=0 real_seed=-464665236
core.init.random: RandomGenerator:init: Normal mode, seed=-464665236 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.16 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
core.conformation.Conformation: Found disulfide between residues 1 120
core.conformation.Conformation: current variant for 1 CYS
core.conformation.Conformation: current variant for 120 CYS
core.conformation.Conformation: current variant for 1 CYD
core.conformation.Conformation: current variant for 120 CYD
core.conformation.Conformation: Found disulfide between residues 115 149
core.conformation.Conformation: current variant for 115 CYS
core.conformation.Conformation: current variant for 149 CYS
core.conformation.Conformation: current variant for 115 CYD
core.conformation.Conformation: current variant for 149 CYD
core.conformation.Conformation: Found disulfide between residues 274 284
core.conformation.Conformation: current variant for 274 CYS
core.conformation.Conformation: current variant for 284 CYS
core.conformation.Conformation: current variant for 274 CYD
core.conformation.Conformation: current variant for 284 CYD
core.conformation.Conformation: Found disulfide between residues 319 344
core.conformation.Conformation: current variant for 319 CYS
core.conformation.Conformation: current variant for 344 CYS
core.conformation.Conformation: current variant for 319 CYD
core.conformation.Conformation: current variant for 344 CYD
core.conformation.Conformation: Found disulfide between residues 362 415
core.conformation.Conformation: current variant for 362 CYS
core.conformation.Conformation: current variant for 415 CYS
core.conformation.Conformation: current variant for 362 CYD
core.conformation.Conformation: current variant for 415 CYD
core.conformation.Conformation: Found disulfide between residues 374 508
core.conformation.Conformation: current variant for 374 CYS
core.conformation.Conformation: current variant for 508 CYS
core.conformation.Conformation: current variant for 374 CYD
core.conformation.Conformation: current variant for 508 CYD
core.conformation.Conformation: Found disulfide between residues 463 471
core.conformation.Conformation: current variant for 463 CYS
core.conformation.Conformation: current variant for 471 CYS
core.conformation.Conformation: current variant for 463 CYD
core.conformation.Conformation: current variant for 471 CYD
core.conformation.Conformation: Found disulfide between residues 521 573
core.conformation.Conformation: current variant for 521 CYS
core.conformation.Conformation: current variant for 573 CYS
core.conformation.Conformation: current variant for 521 CYD
core.conformation.Conformation: current variant for 573 CYD
core.conformation.Conformation: Found disulfide between residues 600 632
core.conformation.Conformation: current variant for 600 CYS
core.conformation.Conformation: current variant for 632 CYS
core.conformation.Conformation: current variant for 600 CYD
core.conformation.Conformation: current variant for 632 CYD
core.conformation.Conformation: Found disulfide between residues 645 654
core.conformation.Conformation: current variant for 645 CYS
core.conformation.Conformation: current variant for 654 CYS
core.conformation.Conformation: current variant for 645 CYD
core.conformation.Conformation: current variant for 654 CYD
core.conformation.Conformation: Found disulfide between residues 721 743
core.conformation.Conformation: current variant for 721 CYS
core.conformation.Conformation: current variant for 743 CYS
core.conformation.Conformation: current variant for 721 CYD
core.conformation.Conformation: current variant for 743 CYD
core.conformation.Conformation: Found disulfide between residues 726 732
core.conformation.Conformation: current variant for 726 CYS
core.conformation.Conformation: current variant for 732 CYS
core.conformation.Conformation: current variant for 726 CYD
core.conformation.Conformation: current variant for 732 CYD
core.conformation.Conformation: Found disulfide between residues 823 834
core.conformation.Conformation: current variant for 823 CYS
core.conformation.Conformation: current variant for 834 CYS
core.conformation.Conformation: current variant for 823 CYD
core.conformation.Conformation: current variant for 834 CYD
core.conformation.Conformation: Found disulfide between residues 1015 1026
core.conformation.Conformation: current variant for 1015 CYS
core.conformation.Conformation: current variant for 1026 CYS
core.conformation.Conformation: current variant for 1015 CYD
core.conformation.Conformation: current variant for 1026 CYD
core.conformation.Conformation: Found disulfide between residues 1065 1109
core.conformation.Conformation: current variant for 1065 CYS
core.conformation.Conformation: current variant for 1109 CYS
core.conformation.Conformation: current variant for 1065 CYD
core.conformation.Conformation: current variant for 1109 CYD
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.7A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: celldim: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.7
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (1192)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (1192)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
26.5454 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.22 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 12879.3 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22865 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 62631388 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -15215.5 1.16525 1.16525 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20663 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 53152504 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -15068.1 1.69165 1.69165 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20016 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 50003972 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -15354.4 2.21637 2.21637 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19756 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 48163080 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -15372 2.48051 2.48051 0.55
protocols.relax.FastRelax: MRP: 0 -15372 -15372 2.48051 2.48051
protocols.relax.FastRelax: CMD: accept_to_best -15372 2.48051 2.48051 0.55
protocols.relax.FastRelax: CMD: endrepeat -15372 2.48051 2.48051 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22981 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 62691636 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -17644.6 2.78507 2.78507 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20238 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 52242244 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -16785.8 2.88082 2.88082 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19855 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 49748828 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -16505.9 3.01209 3.01209 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19334 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 47094228 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -16232.3 3.12769 3.12769 0.55
protocols.relax.FastRelax: MRP: 1 -16232.3 -16232.3 3.12769 3.12769
protocols.relax.FastRelax: CMD: accept_to_best -16232.3 3.12769 3.12769 0.55
protocols.relax.FastRelax: CMD: endrepeat -16232.3 3.12769 3.12769 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 1935 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 1936 seconds
Align structures finished.
====================================================================Modeling finished====================================================================
Selected strategy mode: Vanilla AF2
Input query sequence: CVNLTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHAISGTNGTKRFDNPVLPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLGVYHKNNKSWMESEFRVYSSANNCTFEYVSQPFLMDLEGKQGNFKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQTLLALHRSYLTPGDSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLTGTGVLTESNKKFLPFQQFGRDIDDTTDAVRDPQTLEILDITPCSFGGVSVITPGTNTSNQVAVLYQGVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEHVNNSYECDIPIGAGICASYQTQTNSHGSASSVASQSIIAYTMSLGAENSVAYSNNSIAIPINFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQEVFAQVKQIYKTPPIKDFGGFNFSQILPDPSKPSKRSFIEDLLFNKVTLADAGFIKQYGDCLGDIAARDLICAQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGAALQIPFAMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTASALGKLQDVVNQNAQALNTLVKQLSSNFGAISSVLNDILARLDPPEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPAICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTHNTFVSGNCDVVIGIVNNTVYDPLQPELDSFKEELDKYFKNHTSPDVDLGDISGINASVVNIQKEIDRLNEVAKNLNESLIDLQELGKYEQ
Job ID: 5a4e3034f8981212b955983c7f8c5177_9c9d5
Number of models to use: 0
Template mode: none
DAQ
====================================================================Modeling finished====================================================================
STEP-3: Running strategy 2
(prefix: 'str', result_dir: 'Path', feature_dict: 'Dict[str, Any]', is_complex: 'bool', use_templates: 'bool', sequences_lengths: 'List[int]', pad_len: 'int', model_type: 'str', model_runner_and_params: 'List[Tuple[str, model.RunModel, haiku.Params]]', num_relax: 'int' = 0, rank_by: 'str' = 'auto', random_seed: 'int' = 0, num_seeds: 'int' = 1, stop_at_score: 'float' = 100, prediction_callback: 'Callable[[Any, Any, Any, Any, Any], Any]' = None, use_gpu_relax: 'bool' = False, save_all: 'bool' = False, save_single_representations: 'bool' = False, save_pair_representations: 'bool' = False, save_recycles: 'bool' = False)
INFO: Input Protein Sequence and DAQ result file started
chain_B
Prepare trimmed template finished.
MSA finished.(if applicable)
INFO: Input Protein Sequence and DAQ result file Done
INFO: Modeling Part started
chain_B
trimmed_msa.a3m to 5a4e3034f8981212b955983c7f8c5177_2b988.custom.a3m
The size of '5a4e3034f8981212b955983c7f8c5177_2b988.custom.a3m' is 430322 bytes.
MSA settings finished.
Advanced settings finished.
DAQ-Refine
Install dependencies finished.
GPU is not available.
chain_B
start running download_alphafold
2025-09-18 16:52:12,729 Running on GPU
2025-09-18 16:52:12,748 Found 4 citations for tools or databases
1tmp.cif.bak.
1: 5a4e3034f8981212b955983c7f8c5177_2b988.custom (length 1191)
2025-09-18 16:52:16,345 Sequence 0 found templates: ['1tmp_B', '1tmp_B', '1tmp_B']
2025-09-18 16:52:17,155 Setting max_seq=334, max_extra_seq=1
2025-09-18 16:55:12,017 alphafold2_ptm_model_1_seed_000 recycle=0 pLDDT=86.1 pTM=0.801
2025-09-18 16:57:30,271 alphafold2_ptm_model_1_seed_000 recycle=1 pLDDT=86.3 pTM=0.787 tol=1.52
2025-09-18 16:57:30,274 alphafold2_ptm_model_1_seed_000 took 306.9s (1 recycles)
2025-09-18 16:59:50,842 alphafold2_ptm_model_2_seed_000 recycle=0 pLDDT=86.7 pTM=0.839
2025-09-18 17:02:09,792 alphafold2_ptm_model_2_seed_000 recycle=1 pLDDT=86.8 pTM=0.828 tol=0.933
2025-09-18 17:02:09,796 alphafold2_ptm_model_2_seed_000 took 277.6s (1 recycles)
2025-09-18 17:04:31,826 alphafold2_ptm_model_3_seed_000 recycle=0 pLDDT=36.5 pTM=0.308
2025-09-18 17:06:35,390 alphafold2_ptm_model_3_seed_000 recycle=1 pLDDT=39.2 pTM=0.353 tol=14.3
2025-09-18 17:06:35,394 alphafold2_ptm_model_3_seed_000 took 263.7s (1 recycles)
2025-09-18 17:08:41,168 alphafold2_ptm_model_4_seed_000 recycle=0 pLDDT=38.6 pTM=0.32
2025-09-18 17:10:44,948 alphafold2_ptm_model_4_seed_000 recycle=1 pLDDT=41.6 pTM=0.346 tol=15.3
2025-09-18 17:10:44,953 alphafold2_ptm_model_4_seed_000 took 247.5s (1 recycles)
2025-09-18 17:12:50,799 alphafold2_ptm_model_5_seed_000 recycle=0 pLDDT=37.8 pTM=0.331
2025-09-18 17:14:54,676 alphafold2_ptm_model_5_seed_000 recycle=1 pLDDT=38.6 pTM=0.378 tol=17.1
2025-09-18 17:14:54,680 alphafold2_ptm_model_5_seed_000 took 247.7s (1 recycles)
2025-09-18 17:14:56,731 reranking models by 'plddt' metric
2025-09-18 17:14:56,732 rank_001_alphafold2_ptm_model_2_seed_000 pLDDT=86.8 pTM=0.828
2025-09-18 17:14:56,745 rank_002_alphafold2_ptm_model_1_seed_000 pLDDT=86.3 pTM=0.787
2025-09-18 17:14:56,754 rank_003_alphafold2_ptm_model_4_seed_000 pLDDT=41.6 pTM=0.346
2025-09-18 17:14:56,763 rank_004_alphafold2_ptm_model_3_seed_000 pLDDT=39.2 pTM=0.353
2025-09-18 17:14:56,770 rank_005_alphafold2_ptm_model_5_seed_000 pLDDT=38.6 pTM=0.378
2025-09-18 17:15:02,230 Done
Prediction finished.
INFO: Modeling Part Done
chain_B
chain_B
align structure to input map
rank_001_alphafold2_ptm_model_2_seed_000_s2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.7 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=1585463451 seed_offset=0 real_seed=1585463451
core.init.random: RandomGenerator:init: Normal mode, seed=1585463451 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.08 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
core.conformation.Conformation: Found disulfide between residues 1 120
core.conformation.Conformation: current variant for 1 CYS
core.conformation.Conformation: current variant for 120 CYS
core.conformation.Conformation: current variant for 1 CYD
core.conformation.Conformation: current variant for 120 CYD
core.conformation.Conformation: Found disulfide between residues 115 149
core.conformation.Conformation: current variant for 115 CYS
core.conformation.Conformation: current variant for 149 CYS
core.conformation.Conformation: current variant for 115 CYD
core.conformation.Conformation: current variant for 149 CYD
core.conformation.Conformation: Found disulfide between residues 274 284
core.conformation.Conformation: current variant for 274 CYS
core.conformation.Conformation: current variant for 284 CYS
core.conformation.Conformation: current variant for 274 CYD
core.conformation.Conformation: current variant for 284 CYD
core.conformation.Conformation: Found disulfide between residues 319 344
core.conformation.Conformation: current variant for 319 CYS
core.conformation.Conformation: current variant for 344 CYS
core.conformation.Conformation: current variant for 319 CYD
core.conformation.Conformation: current variant for 344 CYD
core.conformation.Conformation: Found disulfide between residues 362 415
core.conformation.Conformation: current variant for 362 CYS
core.conformation.Conformation: current variant for 415 CYS
core.conformation.Conformation: current variant for 362 CYD
core.conformation.Conformation: current variant for 415 CYD
core.conformation.Conformation: Found disulfide between residues 521 573
core.conformation.Conformation: current variant for 521 CYS
core.conformation.Conformation: current variant for 573 CYS
core.conformation.Conformation: current variant for 521 CYD
core.conformation.Conformation: current variant for 573 CYD
core.conformation.Conformation: Found disulfide between residues 600 632
core.conformation.Conformation: current variant for 600 CYS
core.conformation.Conformation: current variant for 632 CYS
core.conformation.Conformation: current variant for 600 CYD
core.conformation.Conformation: current variant for 632 CYD
core.conformation.Conformation: Found disulfide between residues 645 654
core.conformation.Conformation: current variant for 645 CYS
core.conformation.Conformation: current variant for 654 CYS
core.conformation.Conformation: current variant for 645 CYD
core.conformation.Conformation: current variant for 654 CYD
core.conformation.Conformation: Found disulfide between residues 721 743
core.conformation.Conformation: current variant for 721 CYS
core.conformation.Conformation: current variant for 743 CYS
core.conformation.Conformation: current variant for 721 CYD
core.conformation.Conformation: current variant for 743 CYD
core.conformation.Conformation: Found disulfide between residues 726 732
core.conformation.Conformation: current variant for 726 CYS
core.conformation.Conformation: current variant for 732 CYS
core.conformation.Conformation: current variant for 726 CYD
core.conformation.Conformation: current variant for 732 CYD
core.conformation.Conformation: Found disulfide between residues 1015 1026
core.conformation.Conformation: current variant for 1015 CYS
core.conformation.Conformation: current variant for 1026 CYS
core.conformation.Conformation: current variant for 1015 CYD
core.conformation.Conformation: current variant for 1026 CYD
core.conformation.Conformation: Found disulfide between residues 1065 1109
core.conformation.Conformation: current variant for 1065 CYS
core.conformation.Conformation: current variant for 1109 CYS
core.conformation.Conformation: current variant for 1065 CYD
core.conformation.Conformation: current variant for 1109 CYD
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.7A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: celldim: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.7
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (1192)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (1192)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
26.5454 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.23 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat -3547.21 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22859 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 59761548 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20797.1 0.870085 0.870085 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 21175 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 52154428 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20610.3 1.02142 1.02142 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20427 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 48613344 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20464.5 1.17116 1.17116 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19897 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 46278824 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20295 1.31183 1.31183 0.55
protocols.relax.FastRelax: MRP: 0 -20295 -20295 1.31183 1.31183
protocols.relax.FastRelax: CMD: accept_to_best -20295 1.31183 1.31183 0.55
protocols.relax.FastRelax: CMD: endrepeat -20295 1.31183 1.31183 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 23253 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 61231956 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -21676.3 1.5033 1.5033 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20881 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 51821704 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -21092.7 1.5564 1.5564 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20419 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 49149656 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20869.7 1.62801 1.62801 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19846 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 46558920 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20607.6 1.66906 1.66906 0.55
protocols.relax.FastRelax: MRP: 1 -20607.6 -20607.6 1.66906 1.66906
protocols.relax.FastRelax: CMD: accept_to_best -20607.6 1.66906 1.66906 0.55
protocols.relax.FastRelax: CMD: endrepeat -20607.6 1.66906 1.66906 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 1906 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 1906 seconds
chain_B
align structure to input map
rank_002_alphafold2_ptm_model_1_seed_000_s2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.7 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=-1454883728 seed_offset=0 real_seed=-1454883728
core.init.random: RandomGenerator:init: Normal mode, seed=-1454883728 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.07 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
core.conformation.Conformation: Found disulfide between residues 115 149
core.conformation.Conformation: current variant for 115 CYS
core.conformation.Conformation: current variant for 149 CYS
core.conformation.Conformation: current variant for 115 CYD
core.conformation.Conformation: current variant for 149 CYD
core.conformation.Conformation: Found disulfide between residues 274 284
core.conformation.Conformation: current variant for 274 CYS
core.conformation.Conformation: current variant for 284 CYS
core.conformation.Conformation: current variant for 274 CYD
core.conformation.Conformation: current variant for 284 CYD
core.conformation.Conformation: Found disulfide between residues 319 344
core.conformation.Conformation: current variant for 319 CYS
core.conformation.Conformation: current variant for 344 CYS
core.conformation.Conformation: current variant for 319 CYD
core.conformation.Conformation: current variant for 344 CYD
core.conformation.Conformation: Found disulfide between residues 362 415
core.conformation.Conformation: current variant for 362 CYS
core.conformation.Conformation: current variant for 415 CYS
core.conformation.Conformation: current variant for 362 CYD
core.conformation.Conformation: current variant for 415 CYD
core.conformation.Conformation: Found disulfide between residues 521 573
core.conformation.Conformation: current variant for 521 CYS
core.conformation.Conformation: current variant for 573 CYS
core.conformation.Conformation: current variant for 521 CYD
core.conformation.Conformation: current variant for 573 CYD
core.conformation.Conformation: Found disulfide between residues 600 632
core.conformation.Conformation: current variant for 600 CYS
core.conformation.Conformation: current variant for 632 CYS
core.conformation.Conformation: current variant for 600 CYD
core.conformation.Conformation: current variant for 632 CYD
core.conformation.Conformation: Found disulfide between residues 645 654
core.conformation.Conformation: current variant for 645 CYS
core.conformation.Conformation: current variant for 654 CYS
core.conformation.Conformation: current variant for 645 CYD
core.conformation.Conformation: current variant for 654 CYD
core.conformation.Conformation: Found disulfide between residues 726 732
core.conformation.Conformation: current variant for 726 CYS
core.conformation.Conformation: current variant for 732 CYS
core.conformation.Conformation: current variant for 726 CYD
core.conformation.Conformation: current variant for 732 CYD
core.conformation.Conformation: Found disulfide between residues 1015 1026
core.conformation.Conformation: current variant for 1015 CYS
core.conformation.Conformation: current variant for 1026 CYS
core.conformation.Conformation: current variant for 1015 CYD
core.conformation.Conformation: current variant for 1026 CYD
core.conformation.Conformation: Found disulfide between residues 1065 1109
core.conformation.Conformation: current variant for 1065 CYS
core.conformation.Conformation: current variant for 1109 CYS
core.conformation.Conformation: current variant for 1065 CYD
core.conformation.Conformation: current variant for 1109 CYD
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.7A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: celldim: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.7
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (1192)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (1192)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
26.5454 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.22 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat -1441.99 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22709 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 59641988 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20869.1 0.952191 0.952191 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 21041 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 51843388 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20748.5 1.13616 1.13616 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20289 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 48210852 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20612.2 1.2665 1.2665 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19722 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 45700556 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20372.4 1.38044 1.38044 0.55
protocols.relax.FastRelax: MRP: 0 -20372.4 -20372.4 1.38044 1.38044
protocols.relax.FastRelax: CMD: accept_to_best -20372.4 1.38044 1.38044 0.55
protocols.relax.FastRelax: CMD: endrepeat -20372.4 1.38044 1.38044 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22981 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 59964052 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -21743.8 1.54672 1.54672 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20822 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 51521548 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -21108.1 1.56828 1.56828 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20363 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 48786876 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20840.1 1.61559 1.61559 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19883 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 46349728 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20558 1.65094 1.65094 0.55
protocols.relax.FastRelax: MRP: 1 -20558 -20558 1.65094 1.65094
protocols.relax.FastRelax: CMD: accept_to_best -20558 1.65094 1.65094 0.55
protocols.relax.FastRelax: CMD: endrepeat -20558 1.65094 1.65094 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 1899 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 1899 seconds
chain_B
align structure to input map
rank_003_alphafold2_ptm_model_4_seed_000_s2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.7 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=-1978696715 seed_offset=0 real_seed=-1978696715
core.init.random: RandomGenerator:init: Normal mode, seed=-1978696715 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.12 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
core.conformation.Conformation: Found disulfide between residues 1065 1109
core.conformation.Conformation: current variant for 1065 CYS
core.conformation.Conformation: current variant for 1109 CYS
core.conformation.Conformation: current variant for 1065 CYD
core.conformation.Conformation: current variant for 1109 CYD
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.7A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: celldim: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.7
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (1192)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (1192)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
26.5454 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.22 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 49559.2 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19690 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 19265648 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 1439.24 0.95074 0.95074 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20070 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 19586208 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -585.262 1.5889 1.5889 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19549 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 19067724 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -1489.83 2.08049 2.08049 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19068 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18424892 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -1945.49 2.45669 2.45669 0.55
protocols.relax.FastRelax: MRP: 0 -1945.49 -1945.49 2.45669 2.45669
protocols.relax.FastRelax: CMD: accept_to_best -1945.49 2.45669 2.45669 0.55
protocols.relax.FastRelax: CMD: endrepeat -1945.49 2.45669 2.45669 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20927 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 21598172 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -3321.25 2.68969 2.68969 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19599 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 19458116 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -2960.51 2.83078 2.83078 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19479 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 19466372 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -2939.23 3.04872 3.04872 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19126 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18756316 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -2892.61 3.2396 3.2396 0.55
protocols.relax.FastRelax: MRP: 1 -2892.61 -2892.61 3.2396 3.2396
protocols.relax.FastRelax: CMD: accept_to_best -2892.61 3.2396 3.2396 0.55
protocols.relax.FastRelax: CMD: endrepeat -2892.61 3.2396 3.2396 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 1520 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 1520 seconds
chain_B
align structure to input map
rank_004_alphafold2_ptm_model_3_seed_000_s2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.7 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=-967658970 seed_offset=0 real_seed=-967658970
core.init.random: RandomGenerator:init: Normal mode, seed=-967658970 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.07 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
core.conformation.Conformation: Found disulfide between residues 600 632
core.conformation.Conformation: current variant for 600 CYS
core.conformation.Conformation: current variant for 632 CYS
core.conformation.Conformation: current variant for 600 CYD
core.conformation.Conformation: current variant for 632 CYD
core.conformation.Conformation: Found disulfide between residues 1065 1109
core.conformation.Conformation: current variant for 1065 CYS
core.conformation.Conformation: current variant for 1109 CYS
core.conformation.Conformation: current variant for 1065 CYD
core.conformation.Conformation: current variant for 1109 CYD
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.7A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: celldim: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.7
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (1192)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (1192)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
26.5454 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.22 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 67250.8 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 18999 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 19567820 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 6028.48 0.906011 0.906011 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 18945 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18686992 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 3608.2 1.23116 1.23116 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 18519 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18335888 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 2961.7 1.52538 1.52538 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 18166 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18023476 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 2712.52 1.83009 1.83009 0.55
protocols.relax.FastRelax: MRP: 0 2712.52 2712.52 1.83009 1.83009
protocols.relax.FastRelax: CMD: accept_to_best 2712.52 1.83009 1.83009 0.55
protocols.relax.FastRelax: CMD: endrepeat 2712.52 1.83009 1.83009 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20026 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 20941716 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 1221.81 2.02226 2.02226 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 18621 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18965472 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 1597.14 2.15583 2.15583 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 18318 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18490328 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 1602.23 2.38961 2.38961 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 18008 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18175852 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 1661.51 2.63555 2.63555 0.55
protocols.relax.FastRelax: MRP: 1 1661.51 1661.51 2.63555 2.63555
protocols.relax.FastRelax: CMD: accept_to_best 1661.51 2.63555 2.63555 0.55
protocols.relax.FastRelax: CMD: endrepeat 1661.51 2.63555 2.63555 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 1482 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 1483 seconds
chain_B
align structure to input map
rank_005_alphafold2_ptm_model_5_seed_000_s2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.7 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=-1752126703 seed_offset=0 real_seed=-1752126703
core.init.random: RandomGenerator:init: Normal mode, seed=-1752126703 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.25 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
core.conformation.Conformation: Found disulfide between residues 600 632
core.conformation.Conformation: current variant for 600 CYS
core.conformation.Conformation: current variant for 632 CYS
core.conformation.Conformation: current variant for 600 CYD
core.conformation.Conformation: current variant for 632 CYD
core.conformation.Conformation: Found disulfide between residues 1065 1109
core.conformation.Conformation: current variant for 1065 CYS
core.conformation.Conformation: current variant for 1109 CYS
core.conformation.Conformation: current variant for 1065 CYD
core.conformation.Conformation: current variant for 1109 CYD
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.7A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: celldim: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.7
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (1192)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (1192)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
26.5454 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.22 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 52141.4 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19724 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18380824 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 3954.82 0.825181 0.825181 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20030 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18392092 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 2060.46 1.21351 1.21351 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19665 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 17755912 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 1463.42 1.56652 1.56652 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19468 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 17504024 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 1095.09 1.93192 1.93192 0.55
protocols.relax.FastRelax: MRP: 0 1095.09 1095.09 1.93192 1.93192
protocols.relax.FastRelax: CMD: accept_to_best 1095.09 1.93192 1.93192 0.55
protocols.relax.FastRelax: CMD: endrepeat 1095.09 1.93192 1.93192 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20874 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 19678948 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -337.49 2.16944 2.16944 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19852 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18115560 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -26.8962 2.34838 2.34838 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19546 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 17784140 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -39.2291 2.5867 2.5867 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19448 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 17668184 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -39.4514 2.79255 2.79255 0.55
protocols.relax.FastRelax: MRP: 1 -39.4514 -39.4514 2.79255 2.79255
protocols.relax.FastRelax: CMD: accept_to_best -39.4514 2.79255 2.79255 0.55
protocols.relax.FastRelax: CMD: endrepeat -39.4514 2.79255 2.79255 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 1496 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 1497 seconds
Align structures finished.
====================================================================Modeling finished====================================================================
Selected strategy mode: strategy 2
Input query sequence: CVNLTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHAISGTNGTKRFDNPVLPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLGVYHKNNKSWMESEFRVYSSANNCTFEYVSQPFLMDLEGKQGNFKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQTLLALHRSYLTPGDSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLTGTGVLTESNKKFLPFQQFGRDIDDTTDAVRDPQTLEILDITPCSFGGVSVITPGTNTSNQVAVLYQGVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEHVNNSYECDIPIGAGICASYQTQTNSHGSASSVASQSIIAYTMSLGAENSVAYSNNSIAIPINFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQEVFAQVKQIYKTPPIKDFGGFNFSQILPDPSKPSKRSFIEDLLFNKVTLADAGFIKQYGDCLGDIAARDLICAQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGAALQIPFAMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTASALGKLQDVVNQNAQALNTLVKQLSSNFGAISSVLNDILARLDPPEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPAICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTHNTFVSGNCDVVIGIVNNTVYDPLQPELDSFKEELDKYFKNHTSPDVDLGDISGINASVVNIQKEIDRLNEVAKNLNESLIDLQELGKYEQ
Job ID: 5a4e3034f8981212b955983c7f8c5177_2b988
Number of models to use: 0
Template mode: custom
DAQ
====================================================================Modeling finished====================================================================
INFO: DAQ-refine status: 0
INFO: STEP-4 Computer refined DAQ Started
gcc -std=c99 -o DAQscore_colab main.c chkcmdline.o mrc.o readpdb.o thread.o dp.o -lm -O3 -msse4.2 -msse -msse2 -msse3 -mmmx -ftree-vectorize -ftree-vectorizer-verbose=3 -ffast-math -march=native -funroll-loops -fopenmp
rank_005_alphafold2_ptm_model_5_seed_000_s2 existed
Origin: (0., 0., 0.)
Previous voxel size: 1.0
----------------------------------------------------------------------------------------------------
resizing finished!
----------------------------------------------------------------------------------------------------
Finished processing model input!
0 batch processing time 1.049325
1 batch processing time 0.966448
2 batch processing time 0.960379
3 batch processing time 0.957412
4 batch processing time 0.969029
5 batch processing time 0.957253
6 batch processing time 0.966470
7 batch processing time 0.958684
8 batch processing time 0.968676
9 batch processing time 0.966785
10 batch processing time 0.974188
11 batch processing time 0.965582
12 batch processing time 0.972179
13 batch processing time 0.966613
14 batch processing time 0.961640
15 batch processing time 0.965451
16 batch processing time 0.986452
17 batch processing time 0.966028
18 batch processing time 0.964562
19 batch processing time 0.966721
20 batch processing time 0.962073
21 batch processing time 0.967762
22 batch processing time 0.963643
23 batch processing time 0.973867
24 batch processing time 0.966300
25 batch processing time 0.966986
26 batch processing time 0.963608
27 batch processing time 0.966580
28 batch processing time 0.966816
29 batch processing time 0.968553
30 batch processing time 0.971278
31 batch processing time 0.967094
32 batch processing time 0.964036
33 batch processing time 0.964996
34 batch processing time 0.964729
35 batch processing time 0.964465
36 batch processing time 0.963845
37 batch processing time 0.965037
38 batch processing time 0.961793
39 batch processing time 0.966379
40 batch processing time 0.966392
41 batch processing time 0.964603
42 batch processing time 0.964518
43 batch processing time 0.968349
44 batch processing time 0.963168
45 batch processing time 0.962480
46 batch processing time 0.960889
47 batch processing time 0.961604
48 batch processing time 0.962188
49 batch processing time 0.962286
50 batch processing time 0.961174
51 batch processing time 0.960311
52 batch processing time 0.961491
53 batch processing time 0.962217
54 batch processing time 0.955717
55 batch processing time 0.955142
56 batch processing time 0.956339
57 batch processing time 0.953058
58 batch processing time 0.953023
59 batch processing time 0.951555
60 batch processing time 0.953362
61 batch processing time 0.953106
62 batch processing time 0.952877
63 batch processing time 0.952163
64 batch processing time 0.972503
65 batch processing time 0.954205
66 batch processing time 0.951546
67 batch processing time 0.951393
68 batch processing time 0.952907
69 batch processing time 0.952834
70 batch processing time 0.953487
71 batch processing time 0.953205
72 batch processing time 0.954266
73 batch processing time 0.953152
74 batch processing time 0.955732
75 batch processing time 0.956494
76 batch processing time 0.952154
77 batch processing time 0.952600
78 batch processing time 0.952657
79 batch processing time 0.952502
80 batch processing time 0.967076
81 batch processing time 0.952775
82 batch processing time 0.952943
83 batch processing time 0.952621
84 batch processing time 0.950293
85 batch processing time 0.952470
86 batch processing time 0.952973
87 batch processing time 0.952412
88 batch processing time 0.951217
89 batch processing time 0.953186
90 batch processing time 0.951720
91 batch processing time 0.952398
92 batch processing time 0.951259
93 batch processing time 0.953517
94 batch processing time 0.951145
95 batch processing time 0.950256
96 batch processing time 0.951101
97 batch processing time 0.953986
98 batch processing time 0.955631
99 batch processing time 0.955515
100 batch processing time 0.955301
101 batch processing time 0.953313
102 batch processing time 0.952306
103 batch processing time 0.955161
104 batch processing time 0.952565
105 batch processing time 0.951508
106 batch processing time 0.959129
107 batch processing time 0.955747
108 batch processing time 0.950010
109 batch processing time 0.952638
110 batch processing time 0.950830
111 batch processing time 0.950384
112 batch processing time 0.952468
113 batch processing time 0.953003
114 batch processing time 0.950026
115 batch processing time 0.953072
116 batch processing time 0.952493
117 batch processing time 0.950351
118 batch processing time 0.953837
119 batch processing time 0.953639
120 batch processing time 0.950660
121 batch processing time 0.951946
122 batch processing time 0.953397
123 batch processing time 0.953103
124 batch processing time 0.949466
125 batch processing time 0.952299
126 batch processing time 0.950935
127 batch processing time 0.950828
128 batch processing time 0.971632
129 batch processing time 0.951184
130 batch processing time 0.949220
131 batch processing time 0.950971
132 batch processing time 0.949220
133 batch processing time 0.950322
134 batch processing time 0.952403
135 batch processing time 0.952300
136 batch processing time 0.948769
137 batch processing time 0.957249
138 batch processing time 0.948863
139 batch processing time 0.949928
140 batch processing time 0.948383
141 batch processing time 0.948231
142 batch processing time 0.948558
143 batch processing time 0.948255
144 batch processing time 0.950055
145 batch processing time 0.949356
146 batch processing time 0.949135
prediction.txt, please have a check!
exe_path
daq_raw_score.pdb
total different chains: {'A'}
-1.63
-1.04
-0.03
-0.47
-0.82
-0.32
0.02
0.12
0.06
0.16
-0.18
-0.04
-0.03
-0.42
-0.83
-0.22
-0.34
-1.0
-0.91
0.12
-0.13
-1.01
-1.15
-1.03
0.69
0.36
-0.23
-1.35
-1.68
-0.72
-1.7
-0.42
-0.25
-0.1
0.01
-0.6
0.04
0.19
0.11
0.49
0.11
0.09
-0.12
-0.04
-0.4
0.16
-0.08
-0.52
-0.44
-0.22
-0.59
-0.16
-0.06
-1.05
-0.43
0.25
-0.84
-0.24
-0.56
-0.7
0.36
0.17
-0.73
0.13
0.01
-0.68
-1.35
-0.39
-0.54
-0.7
-0.09
0.14
-0.34
-1.11
-0.37
-0.8
-0.06
-0.32
-0.87
0.4
0.52
-0.4
-0.1
-1.12
-1.05
0.17
-0.58
-0.05
-1.13
-0.71
-0.27
-0.78
-0.83
-0.51
-0.15
-0.52
0.37
-0.83
0.09
-0.52
-0.55
-0.29
-0.56
-0.28
0.4
-0.07
-0.97
-1.61
-0.12
-1.21
-0.82
-0.79
0.46
-0.64
0.03
-0.3
-0.54
-0.13
-0.72
-1.21
-0.53
-0.11
-0.32
-0.64
-0.5
0.66
-2.28
-1.22
-0.48
-0.94
0.13
0.12
-0.34
0.28
1.12
0.37
-1.96
-2.73
-0.79
0.63
0.02
2.03
-1.43
0.88
-0.26
0.07
0.64
-1.64
-0.02
0.26
-0.01
-1.83
-1.67
0.1
0.47
-0.67
-0.84
-0.95
-0.64
-0.04
-0.0
-0.33
0.33
0.47
-0.03
0.01
0.87
0.17
-0.02
-0.51
-0.48
-0.01
0.46
1.23
-0.63
1.04
1.2
-0.75
-0.6
-0.72
-0.15
-0.26
-1.46
-2.68
-5.08
1.34
-0.64
1.51
-0.88
0.8
0.27
-0.48
-0.79
-0.02
-0.57
-0.85
0.26
0.01
-0.44
-0.65
0.02
-1.09
-0.28
-0.34
-0.08
0.53
-0.01
-0.31
0.44
-0.52
-0.42
0.26
-1.07
-0.22
-0.94
-1.04
-0.23
-0.68
-0.23
0.25
-0.54
-0.04
-0.37
-0.14
-0.04
0.76
0.17
-0.5
1.12
-1.59
-1.34
-0.78
0.82
-0.67
1.4
-0.04
0.12
-1.1
-1.25
-1.72
-3.57
-1.48
-4.51
-2.87
0.1
0.46
-0.18
-0.59
-1.81
1.97
0.19
-1.73
0.04
0.08
-0.43
0.13
-0.3
-0.43
-0.5
-1.83
0.75
-5.49
-0.36
0.19
-3.52
-0.7
-1.01
-2.16
-0.69
-2.68
-1.03
-0.31
0.38
-0.75
0.3
-0.3
0.08
-0.22
-0.47
-0.45
0.45
-0.78
0.41
-1.46
-0.07
-0.21
-0.13
0.07
-0.09
-0.35
-1.86
0.28
-0.67
-0.22
-0.44
0.03
0.29
-0.07
0.06
0.03
0.58
-0.13
0.53
-0.12
-0.24
0.26
-1.2
0.42
-0.43
-0.38
0.04
-0.53
-0.2
-0.1
-1.2
-0.56
-0.05
-0.46
-1.8
-0.52
-0.61
-0.36
0.4
-1.25
-0.69
-0.11
-0.2
-0.84
0.15
-0.61
0.36
-0.19
-2.68
-0.96
0.93
-0.06
-1.13
0.81
-0.25
0.23
-0.85
0.07
0.09
-0.73
-1.0
0.13
0.07
-0.3
-0.42
-0.9
-0.43
-0.3
-0.01
-0.43
-0.1
-0.44
-0.8
-0.43
-0.78
0.0
0.43
-1.81
-0.29
-0.26
0.0
-0.6
-0.59
-0.93
0.47
-0.48
-0.0
0.13
-0.43
-1.68
-0.66
-0.77
-0.06
-1.39
-0.32
-0.15
0.12
-0.56
-0.59
-1.35
-1.16
0.17
-0.3
0.17
0.27
-1.36
0.18
0.08
-1.07
-0.2
-0.49
-0.71
0.04
-0.78
-0.84
0.5
-1.17
0.09
0.14
-0.24
-0.12
-0.4
0.5
-0.33
-0.73
0.21
0.13
-0.74
-0.73
-0.12
-1.61
-1.22
-1.18
-0.27
-0.27
-0.05
-0.6
-0.05
-0.06
-0.47
0.12
-0.39
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[['A', ' N ', 227.874, 279.222, 254.631], ['A', ' CA ', 228.099, 278.613, 253.321], ['A', ' C ', 227.665, 279.531, 252.205], ['A', ' O ', 226.569, 280.095, 252.249], ['A', ' CB ', 227.349, 277.304, 253.179], ['A', ' CG ', 227.556, 276.726, 251.859], ['A', ' CD1', 228.706, 276.048, 251.577], ['A', ' CD2', 226.622, 276.878, 250.882], ['A', ' CE1', 228.925, 275.535, 250.338], ['A', ' CE2', 226.833, 276.365, 249.642], ['A', ' CZ ', 227.991, 275.692, 249.37], ['A', ' H ', 226.999, 278.917, 255.029], ['A', ' HA ', 229.167, 278.424, 253.208], ['A', '1HB ', 227.691, 276.593, 253.933], ['A', '2HB ', 226.283, 277.466, 253.326], ['A', ' HD1', 229.461, 275.926, 252.355], ['A', ' HD2', 225.703, 277.428, 251.097], ['A', ' HE1', 229.85, 275.001, 250.122], ['A', ' HE2', 226.084, 276.496, 248.861], ['A', ' HZ ', 228.163, 275.287, 248.376]]
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[['A', ' N ', 229.157, 281.274, 244.765], ['A', ' CA ', 229.515, 282.543, 244.164], ['A', ' C ', 228.789, 282.792, 242.856], ['A', ' O ', 229.183, 282.319, 241.792], ['A', ' CB ', 231.042, 282.632, 243.949], ['A', ' CG1', 231.418, 283.962, 243.317], ['A', ' CG2', 231.742, 282.483, 245.291], ['A', ' H ', 229.645, 280.413, 244.554], ['A', ' HA ', 229.244, 283.338, 244.858], ['A', ' HB ', 231.358, 281.841, 243.272], ['A', '1HG1', 232.493, 284.0, 243.172], ['A', '2HG1', 230.935, 284.075, 242.35], ['A', '3HG1', 231.113, 284.767, 243.975], ['A', '1HG2', 232.82, 282.538, 245.149], ['A', '2HG2', 231.421, 283.285, 245.958], ['A', '3HG2', 231.487, 281.524, 245.739]]
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[['A', ' N ', 231.947, 258.308, 243.39], ['A', ' CA ', 231.541, 258.493, 241.989], ['A', ' C ', 232.014, 259.855, 241.461], ['A', ' O ', 232.108, 260.813, 242.231], ['A', ' CB ', 230.033, 258.38, 241.85], ['A', ' H ', 231.25, 258.333, 244.12], ['A', ' HA ', 232.013, 257.713, 241.391], ['A', '1HB ', 229.759, 258.5, 240.802], ['A', '2HB ', 229.707, 257.402, 242.203], ['A', '3HB ', 229.552, 259.158, 242.44]]
[['A', ' N ', 232.31, 259.935, 240.154], ['A', ' CA ', 232.739, 261.189, 239.517], ['A', ' C ', 231.644, 261.874, 238.689], ['A', ' O ', 230.451, 261.681, 238.925], ['A', ' H ', 232.228, 259.106, 239.586], ['A', '1HA ', 233.091, 261.876, 240.287], ['A', '2HA ', 233.595, 260.983, 238.876]]
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[['A', ' N ', 230.906, 264.025, 234.516], ['A', ' CA ', 231.341, 264.43, 233.194], ['A', ' C ', 231.781, 265.874, 233.159], ['A', ' O ', 231.336, 266.695, 233.962], ['A', ' CB ', 230.221, 264.255, 232.198], ['A', ' H ', 229.916, 263.951, 234.694], ['A', ' HA ', 232.188, 263.81, 232.906], ['A', '1HB ', 230.577, 264.555, 231.211], ['A', '2HB ', 229.903, 263.214, 232.173], ['A', '3HB ', 229.39, 264.883, 232.489]]
[['A', ' N ', 232.687, 266.177, 232.243], ['A', ' CA ', 233.047, 267.556, 231.977], ['A', ' C ', 232.06, 268.064, 230.942], ['A', ' O ', 231.655, 267.286, 230.077], ['A', ' CB ', 234.479, 267.658, 231.487], ['A', ' H ', 233.085, 265.442, 231.675], ['A', ' HA ', 232.925, 268.134, 232.89], ['A', '1HB ', 234.716, 268.693, 231.297], ['A', '2HB ', 235.144, 267.266, 232.256], ['A', '3HB ', 234.598, 267.083, 230.573]]
[['A', ' N ', 231.692, 269.345, 230.966], ['A', ' CA ', 230.753, 269.803, 229.942], ['A', ' C ', 231.215, 270.94, 229.013], ['A', ' O ', 231.301, 272.094, 229.44], ['A', ' CB ', 229.462, 270.207, 230.625], ['A', ' CG ', 228.759, 269.071, 231.322], ['A', ' CD1', 229.048, 268.777, 232.624], ['A', ' CD2', 227.812, 268.34, 230.65], ['A', ' CE1', 228.385, 267.771, 233.255], ['A', ' CE2', 227.15, 267.331, 231.282], ['A', ' CZ ', 227.429, 267.051, 232.581], ['A', ' OH ', 226.745, 266.054, 233.227], ['A', ' H ', 232.036, 269.976, 231.676], ['A', ' HA ', 230.529, 268.959, 229.296], ['A', '1HB ', 229.663, 270.987, 231.359], ['A', '2HB ', 228.78, 270.625, 229.884], ['A', ' HD1', 229.8, 269.35, 233.16], ['A', ' HD2', 227.584, 268.576, 229.61], ['A', ' HE1', 228.615, 267.543, 234.297], ['A', ' HE2', 226.392, 266.76, 230.747], ['A', ' HH ', 226.105, 265.662, 232.626]]
[['A', ' N ', 231.484, 270.605, 227.725], ['A', ' CA ', 231.895, 271.6, 226.714], ['A', ' C ', 231.2, 271.374, 225.358], ['A', ' O ', 231.242, 270.262, 224.824], ['A', ' CB ', 233.417, 271.576, 226.501], ['A', ' CG ', 234.218, 271.907, 227.737], ['A', ' CD1', 234.667, 270.897, 228.584], ['A', ' CD2', 234.482, 273.221, 228.034], ['A', ' CE1', 235.375, 271.221, 229.707], ['A', ' CE2', 235.187, 273.538, 229.16], ['A', ' CZ ', 235.631, 272.546, 229.993], ['A', ' OH ', 236.336, 272.87, 231.127], ['A', ' H ', 231.391, 269.636, 227.452], ['A', ' HA ', 231.607, 272.59, 227.068], ['A', '1HB ', 233.72, 270.589, 226.153], ['A', '2HB ', 233.684, 272.291, 225.724], ['A', ' HD1', 234.455, 269.851, 228.355], ['A', ' HD2', 234.125, 274.011, 227.375], ['A', ' HE1', 235.733, 270.447, 230.371], ['A', ' HE2', 235.393, 274.582, 229.396], ['A', ' HH ', 236.429, 273.825, 231.183]]
[['A', ' N ', 230.579, 272.437, 224.812], ['A', ' CA ', 229.929, 272.43, 223.491], ['A', ' C ', 229.684, 273.874, 223.018], ['A', ' O ', 229.445, 274.751, 223.843], ['A', ' CB ', 228.614, 271.62, 223.539], ['A', ' CG1', 227.609, 272.31, 224.437], ['A', ' CG2', 228.04, 271.407, 222.12], ['A', ' H ', 230.582, 273.304, 225.335], ['A', ' HA ', 230.597, 271.943, 222.781], ['A', ' HB ', 228.825, 270.649, 223.98], ['A', '1HG1', 226.705, 271.708, 224.488], ['A', '2HG1', 228.028, 272.42, 225.436], ['A', '3HG1', 227.354, 273.299, 224.044], ['A', '1HG2', 227.138, 270.809, 222.187], ['A', '2HG2', 227.794, 272.343, 221.657], ['A', '3HG2', 228.776, 270.884, 221.514]]
[['A', ' N ', 229.727, 274.115, 221.716], ['A', ' CA ', 229.396, 275.433, 221.171], ['A', ' C ', 228.051, 275.392, 220.508], ['A', ' O ', 227.235, 274.521, 220.803], ['A', ' H ', 229.98, 273.36, 221.094], ['A', '1HA ', 229.405, 276.184, 221.96], ['A', '2HA ', 230.132, 275.726, 220.429]]
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[['A', ' N ', 226.006, 275.51, 216.616], ['A', ' CA ', 226.278, 275.195, 215.204], ['A', ' C ', 225.65, 276.076, 214.123], ['A', ' O ', 224.459, 276.402, 214.15], ['A', ' CB ', 225.893, 273.718, 214.979], ['A', ' CG ', 226.154, 273.07, 213.583], ['A', ' CD1', 226.492, 271.597, 213.812], ['A', ' CD2', 224.891, 273.164, 212.687], ['A', ' H ', 225.162, 275.159, 217.048], ['A', ' HA ', 227.349, 275.26, 215.069], ['A', '1HB ', 226.439, 273.134, 215.699], ['A', '2HB ', 224.834, 273.605, 215.199], ['A', ' HG ', 227.0, 273.558, 213.095], ['A', '1HD1', 226.678, 271.1, 212.876], ['A', '2HD1', 227.381, 271.525, 214.434], ['A', '3HD1', 225.658, 271.11, 214.314], ['A', '1HD2', 225.084, 272.689, 211.727], ['A', '2HD2', 224.058, 272.653, 213.176], ['A', '3HD2', 224.621, 274.181, 212.52]]
[['A', ' N ', 226.501, 276.39, 213.138], ['A', ' CA ', 226.221, 277.155, 211.922], ['A', ' C ', 226.727, 276.427, 210.652], ['A', ' O ', 227.944, 276.299, 210.476], ['A', ' CB ', 226.897, 278.527, 212.009], ['A', ' CG ', 226.843, 279.386, 210.719], ['A', ' CD ', 225.463, 279.826, 210.296], ['A', ' OE1', 224.76, 280.538, 211.022], ['A', ' NE2', 225.064, 279.407, 209.094], ['A', ' H ', 227.461, 276.056, 213.273], ['A', ' HA ', 225.153, 277.335, 211.876], ['A', '1HB ', 226.431, 279.102, 212.809], ['A', '2HB ', 227.946, 278.39, 212.277], ['A', '1HG ', 227.43, 280.286, 210.897], ['A', '2HG ', 227.281, 278.833, 209.887], ['A', '1HE2', 224.162, 279.67, 208.74], ['A', '2HE2', 225.676, 278.799, 208.523]]
[['A', ' N ', 225.848, 275.954, 209.741], ['A', ' CA ', 226.204, 275.29, 208.489], ['A', ' C ', 227.055, 276.21, 207.603], ['A', ' O ', 226.814, 277.426, 207.562], ['A', ' CB ', 224.833, 275.01, 207.857], ['A', ' CG ', 223.87, 274.97, 209.026], ['A', ' CD ', 224.392, 276.012, 209.99], ['A', ' HA ', 226.732, 274.358, 208.701], ['A', '1HB ', 224.59, 275.799, 207.13], ['A', '2HB ', 224.874, 274.063, 207.296], ['A', '1HG ', 222.844, 275.182, 208.689], ['A', '2HG ', 223.857, 273.962, 209.474], ['A', '1HD ', 223.99, 277.0, 209.752], ['A', '2HD ', 224.133, 275.693, 210.997]]
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[['A', ' N ', 206.683, 333.746, 213.455], ['A', ' CA ', 205.793, 332.587, 213.296], ['A', ' C ', 204.312, 332.835, 213.621], ['A', ' O ', 203.905, 333.962, 213.952], ['A', ' CB ', 206.28, 331.443, 214.176], ['A', ' CG ', 206.391, 331.822, 215.638], ['A', ' OD1', 206.132, 332.969, 215.962], ['A', ' OD2', 206.72, 330.955, 216.412], ['A', ' H ', 206.784, 333.943, 214.463], ['A', ' HA ', 205.863, 332.269, 212.268], ['A', '1HB ', 205.563, 330.623, 214.119], ['A', '2HB ', 207.228, 331.081, 213.848]]
[['A', ' N ', 203.496, 331.767, 213.474], ['A', ' CA ', 202.074, 331.738, 213.841], ['A', ' C ', 201.863, 330.345, 214.427], ['A', ' O ', 202.839, 329.624, 214.324], ['A', ' CB ', 201.121, 331.91, 212.622], ['A', ' CG1', 201.376, 333.271, 211.878], ['A', ' CG2', 199.627, 331.804, 213.087], ['A', ' CD1', 200.626, 333.384, 210.549], ['A', ' H ', 203.899, 330.898, 213.15], ['A', ' HA ', 201.872, 332.489, 214.614], ['A', ' HB ', 201.338, 331.137, 211.895], ['A', '1HG1', 201.072, 334.085, 212.518], ['A', '2HG1', 202.434, 333.368, 211.662], ['A', '1HG2', 198.969, 331.91, 212.243], ['A', '2HG2', 199.45, 330.854, 213.538], ['A', '3HG2', 199.42, 332.604, 213.799], ['A', '1HD1', 200.84, 334.33, 210.091], ['A', '2HD1', 200.93, 332.568, 209.886], ['A', '3HD1', 199.558, 333.306, 210.715]]
[['A', ' N ', 201.173, 330.354, 215.586], ['A', ' CA ', 200.388, 329.152, 215.887], ['A', ' C ', 199.329, 329.332, 216.949], ['A', ' O ', 199.564, 330.086, 217.903], ['A', ' CB ', 201.319, 328.052, 216.357], ['A', ' OG ', 200.586, 326.932, 216.745], ['A', ' H ', 201.739, 330.609, 216.371], ['A', ' HA ', 199.916, 328.809, 214.978], ['A', '1HB ', 201.997, 327.778, 215.569], ['A', '2HB ', 201.924, 328.381, 217.198], ['A', ' HG ', 201.259, 326.251, 216.964]]
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[['A', ' N ', 196.333, 327.842, 219.709], ['A', ' CA ', 195.066, 327.579, 220.403], ['A', ' C ', 195.479, 327.542, 221.894], ['A', ' O ', 196.564, 328.091, 222.114], ['A', ' CB ', 194.414, 326.27, 219.919], ['A', ' CG ', 192.915, 326.075, 220.386], ['A', ' CD ', 192.246, 324.844, 219.807], ['A', ' OE1', 192.863, 324.156, 219.023], ['A', ' OE2', 191.11, 324.601, 220.137], ['A', ' H ', 197.049, 327.243, 220.096], ['A', ' HA ', 194.385, 328.402, 220.246], ['A', '1HB ', 194.409, 326.22, 218.843], ['A', '2HB ', 194.993, 325.414, 220.286], ['A', '1HG ', 192.849, 326.001, 221.458], ['A', '2HG ', 192.36, 326.948, 220.076]]
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[['A', ' N ', 192.157, 314.719, 236.958], ['A', ' CA ', 192.136, 313.48, 237.772], ['A', ' C ', 192.82, 312.248, 237.163], ['A', ' O ', 192.118, 311.344, 236.692], ['A', ' CB ', 190.691, 313.042, 238.048], ['A', ' OG1', 190.039, 312.831, 236.807], ['A', ' CG2', 189.942, 314.127, 238.834], ['A', ' H ', 191.8, 314.751, 236.0], ['A', ' HA ', 192.602, 313.69, 238.73], ['A', ' HB ', 190.691, 312.113, 238.62], ['A', ' HG1', 190.476, 312.057, 236.372], ['A', '1HG2', 188.92, 313.797, 239.006], ['A', '2HG2', 190.434, 314.315, 239.791], ['A', '3HG2', 189.924, 315.044, 238.262]]
[['A', ' N ', 194.159, 312.215, 237.076], ['A', ' CA ', 194.982, 311.121, 236.565], ['A', ' C ', 195.143, 309.963, 237.563], ['A', ' O ', 194.892, 310.139, 238.752], ['A', ' CB ', 196.312, 311.825, 236.291], ['A', ' CG ', 196.389, 312.931, 237.327], ['A', ' CD ', 194.955, 313.406, 237.495], ['A', ' HA ', 194.53, 310.757, 235.634], ['A', '1HB ', 197.139, 311.109, 236.355], ['A', '2HB ', 196.308, 312.209, 235.259], ['A', '1HG ', 196.83, 312.564, 238.263], ['A', '2HG ', 197.045, 313.742, 236.966], ['A', '1HD ', 194.784, 313.678, 238.546], ['A', '2HD ', 194.78, 314.248, 236.814]]
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[['A', ' N ', 195.046, 306.314, 239.628], ['A', ' CA ', 194.139, 305.372, 240.326], ['A', ' C ', 194.547, 303.908, 239.993], ['A', ' O ', 195.316, 303.673, 239.058], ['A', ' CB ', 192.666, 305.658, 239.988], ['A', ' CG ', 191.621, 305.002, 240.944], ['A', ' OD1', 191.929, 304.112, 241.756], ['A', ' ND2', 190.388, 305.442, 240.838], ['A', ' H ', 195.838, 306.628, 240.161], ['A', ' HA ', 194.268, 305.499, 241.402], ['A', '1HB ', 192.5, 306.736, 239.961], ['A', '2HB ', 192.451, 305.267, 238.999], ['A', '1HD2', 189.67, 305.057, 241.42], ['A', '2HD2', 190.164, 306.159, 240.176]]
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[['A', ' N ', 195.515, 296.687, 243.682], ['A', ' CA ', 195.21, 295.24, 243.908], ['A', ' C ', 195.029, 294.362, 242.659], ['A', ' O ', 194.78, 294.859, 241.56], ['A', ' CB ', 193.964, 295.036, 244.796], ['A', ' CG ', 194.076, 295.576, 246.213], ['A', ' CD ', 195.159, 294.918, 247.002], ['A', ' OE1', 195.505, 293.802, 246.692], ['A', ' OE2', 195.66, 295.535, 247.908], ['A', ' H ', 196.494, 296.934, 243.682], ['A', ' HA ', 196.056, 294.823, 244.456], ['A', '1HB ', 193.076, 295.435, 244.333], ['A', '2HB ', 193.785, 293.968, 244.896], ['A', '1HG ', 194.244, 296.637, 246.189], ['A', '2HG ', 193.127, 295.405, 246.717]]
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[['A', ' N ', 196.949, 287.047, 242.936], ['A', ' CA ', 196.561, 285.809, 243.628], ['A', ' C ', 197.436, 284.638, 243.149], ['A', ' O ', 197.904, 284.657, 242.01], ['A', ' CB ', 195.105, 285.483, 243.364], ['A', ' CG ', 194.15, 286.48, 243.936], ['A', ' OD1', 193.904, 286.501, 245.147], ['A', ' ND2', 193.593, 287.308, 243.088], ['A', ' H ', 197.182, 286.971, 241.955], ['A', ' HA ', 196.729, 285.936, 244.7], ['A', '1HB ', 194.942, 285.421, 242.289], ['A', '2HB ', 194.879, 284.509, 243.782], ['A', '1HD2', 192.945, 287.992, 243.417], ['A', '2HD2', 193.818, 287.252, 242.118]]
[['A', ' N ', 197.628, 283.607, 243.995], ['A', ' CA ', 198.387, 282.404, 243.594], ['A', ' C ', 198.148, 281.158, 244.465], ['A', ' O ', 198.257, 281.224, 245.691], ['A', ' CB ', 199.882, 282.696, 243.601], ['A', ' SG ', 200.901, 281.307, 243.064], ['A', ' H ', 197.229, 283.651, 244.923], ['A', ' HA ', 198.095, 282.161, 242.574], ['A', '1HB ', 200.071, 283.511, 242.926], ['A', '2HB ', 200.198, 282.997, 244.598], ['A', ' HG ', 200.452, 280.442, 243.978]]
[['A', ' N ', 197.866, 280.02, 243.81], ['A', ' CA ', 197.608, 278.727, 244.47], ['A', ' C ', 198.349, 277.586, 243.73], ['A', ' O ', 198.602, 277.719, 242.531], ['A', ' CB ', 196.097, 278.467, 244.474], ['A', ' CG ', 195.292, 279.592, 245.136], ['A', ' CD1', 194.836, 280.663, 244.36], ['A', ' CD2', 195.023, 279.569, 246.491], ['A', ' CE1', 194.124, 281.692, 244.938], ['A', ' CE2', 194.307, 280.603, 247.068], ['A', ' CZ ', 193.862, 281.66, 246.296], ['A', ' OH ', 193.147, 282.683, 246.875], ['A', ' H ', 197.815, 280.057, 242.801], ['A', ' HA ', 197.98, 278.769, 245.493], ['A', '1HB ', 195.743, 278.346, 243.45], ['A', '2HB ', 195.892, 277.539, 245.004], ['A', ' HD1', 195.044, 280.687, 243.293], ['A', ' HD2', 195.376, 278.742, 247.105], ['A', ' HE1', 193.769, 282.523, 244.332], ['A', ' HE2', 194.095, 280.584, 248.136], ['A', ' HH ', 192.988, 282.484, 247.801]]
[['A', ' N ', 198.681, 276.463, 244.41], ['A', ' CA ', 199.327, 275.34, 243.69], ['A', ' C ', 199.096, 273.892, 244.265], ['A', ' O ', 199.379, 273.656, 245.438], ['A', ' CB ', 200.829, 275.594, 243.638], ['A', ' CG ', 201.583, 274.526, 242.934], ['A', ' CD1', 201.539, 274.422, 241.556], ['A', ' CD2', 202.344, 273.617, 243.653], ['A', ' CE1', 202.23, 273.43, 240.909], ['A', ' CE2', 203.043, 272.626, 243.008], ['A', ' CZ ', 202.984, 272.53, 241.634], ['A', ' H ', 198.476, 276.387, 245.398], ['A', ' HA ', 198.975, 275.408, 242.672], ['A', '1HB ', 201.019, 276.54, 243.123], ['A', '2HB ', 201.223, 275.685, 244.646], ['A', ' HD1', 200.942, 275.134, 240.984], ['A', ' HD2', 202.379, 273.701, 244.745], ['A', ' HE1', 202.185, 273.354, 239.822], ['A', ' HE2', 203.645, 271.921, 243.572], ['A', ' HZ ', 203.535, 271.744, 241.121]]
[['A', ' N ', 198.603, 272.921, 243.43], ['A', ' CA ', 198.378, 271.479, 243.709], ['A', ' C ', 199.537, 270.584, 243.22], ['A', ' O ', 199.87, 270.775, 242.059], ['A', ' CB ', 197.136, 271.176, 242.859], ['A', ' CG ', 197.26, 272.095, 241.658], ['A', ' CD ', 197.977, 273.351, 242.156], ['A', ' HA ', 198.186, 271.322, 244.77], ['A', '1HB ', 197.14, 270.112, 242.583], ['A', '2HB ', 196.226, 271.347, 243.455], ['A', '1HG ', 197.813, 271.59, 240.853], ['A', '2HG ', 196.256, 272.317, 241.254], ['A', '1HD ', 198.749, 273.625, 241.42], ['A', '2HD ', 197.235, 274.15, 242.327]]
[['A', ' N ', 200.498, 270.414, 244.13], ['A', ' CA ', 201.139, 269.086, 244.211], ['A', ' C ', 200.26, 267.946, 244.778], ['A', ' O ', 199.589, 268.136, 245.799], ['A', ' CB ', 202.404, 269.227, 245.079], ['A', ' CG ', 203.344, 267.986, 245.228], ['A', ' CD1', 203.998, 267.646, 243.894], ['A', ' CD2', 204.41, 268.306, 246.266], ['A', ' H ', 201.179, 271.159, 244.144], ['A', ' HA ', 201.427, 268.813, 243.198], ['A', '1HB ', 202.998, 270.033, 244.68], ['A', '2HB ', 202.082, 269.513, 246.078], ['A', ' HG ', 202.766, 267.118, 245.556], ['A', '1HD1', 204.651, 266.782, 244.025], ['A', '2HD1', 203.246, 267.405, 243.15], ['A', '3HD1', 204.587, 268.495, 243.549], ['A', '1HD2', 205.074, 267.448, 246.392], ['A', '2HD2', 204.995, 269.169, 245.941], ['A', '3HD2', 203.928, 268.532, 247.218]]
[['A', ' N ', 200.284, 266.763, 244.103], ['A', ' CA ', 199.585, 265.514, 244.499], ['A', ' C ', 200.458, 264.249, 244.271], ['A', ' O ', 201.31, 264.247, 243.381], ['A', ' CB ', 198.265, 265.363, 243.725], ['A', ' CG ', 197.209, 266.429, 244.017], ['A', ' CD ', 196.56, 266.236, 245.382], ['A', ' OE1', 195.557, 265.524, 245.507], ['A', ' NE2', 197.14, 266.841, 246.407], ['A', ' H ', 200.82, 266.717, 243.246], ['A', ' HA ', 199.376, 265.562, 245.565], ['A', '1HB ', 198.468, 265.38, 242.657], ['A', '2HB ', 197.829, 264.39, 243.956], ['A', '1HG ', 197.653, 267.418, 243.987], ['A', '2HG ', 196.428, 266.357, 243.261], ['A', '1HE2', 196.763, 266.746, 247.326], ['A', '2HE2', 197.99, 267.389, 246.256]]
[['A', ' N ', 200.224, 263.164, 245.056], ['A', ' CA ', 200.959, 261.883, 244.904], ['A', ' C ', 200.193, 260.633, 245.421], ['A', ' O ', 199.175, 260.771, 246.101], ['A', ' CB ', 202.294, 261.953, 245.622], ['A', ' OG ', 202.118, 262.016, 247.011], ['A', ' H ', 199.523, 263.224, 245.782], ['A', ' HA ', 201.146, 261.734, 243.837], ['A', '1HB ', 202.893, 261.08, 245.371], ['A', '2HB ', 202.847, 262.831, 245.285], ['A', ' HG ', 202.994, 262.121, 247.386]]
[['A', ' N ', 200.726, 259.431, 245.077], ['A', ' CA ', 200.278, 258.06, 245.462], ['A', ' C ', 200.777, 257.022, 244.441], ['A', ' O ', 201.638, 257.413, 243.662], ['A', ' CB ', 198.731, 258.011, 245.597], ['A', ' CG ', 198.076, 256.631, 245.847], ['A', ' CD1', 198.193, 255.997, 247.081], ['A', ' CD2', 197.318, 256.039, 244.843], ['A', ' CE1', 197.574, 254.786, 247.293], ['A', ' CE2', 196.705, 254.829, 245.066], ['A', ' CZ ', 196.833, 254.206, 246.282], ['A', ' OH ', 196.216, 253.007, 246.504], ['A', ' H ', 201.556, 259.463, 244.498], ['A', ' HA ', 200.714, 257.809, 246.424], ['A', '1HB ', 198.44, 258.609, 246.443], ['A', '2HB ', 198.271, 258.45, 244.713], ['A', ' HD1', 198.774, 256.457, 247.878], ['A', ' HD2', 197.215, 256.533, 243.876], ['A', ' HE1', 197.667, 254.287, 248.258], ['A', ' HE2', 196.116, 254.366, 244.276], ['A', ' HH ', 195.717, 252.752, 245.725]]
[['A', ' N ', 200.837, 255.791, 244.961], ['A', ' CA ', 200.229, 254.612, 244.358], ['A', ' C ', 201.267, 253.572, 243.956], ['A', ' O ', 200.819, 252.664, 243.267], ['A', ' H ', 201.777, 255.569, 245.294], ['A', '1HA ', 199.523, 254.17, 245.043], ['A', '2HA ', 199.668, 254.919, 243.463]]
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[['A', ' N ', 204.054, 251.113, 243.772], ['A', ' CA ', 204.262, 249.795, 243.157], ['A', ' C ', 205.069, 249.867, 241.852], ['A', ' O ', 204.517, 249.674, 240.767], ['A', ' CB ', 202.953, 249.049, 242.881], ['A', ' CG ', 203.189, 247.613, 242.286], ['A', ' CD ', 203.942, 246.719, 243.222], ['A', ' OE1', 203.395, 246.269, 244.232], ['A', ' NE2', 205.237, 246.485, 242.933], ['A', ' H ', 204.071, 251.175, 244.779], ['A', ' HA ', 204.793, 249.177, 243.871], ['A', '1HB ', 202.379, 248.957, 243.799], ['A', '2HB ', 202.351, 249.62, 242.168], ['A', '1HG ', 202.21, 247.166, 242.148], ['A', '2HG ', 203.704, 247.609, 241.34], ['A', '1HE2', 205.781, 245.905, 243.54], ['A', '2HE2', 205.714, 246.913, 242.111]]
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[['A', ' N ', 226.826, 251.154, 212.25], ['A', ' CA ', 226.373, 252.45, 211.793], ['A', ' C ', 226.697, 252.643, 210.344], ['A', ' O ', 227.855, 252.554, 209.941], ['A', ' CB ', 227.033, 253.582, 212.613], ['A', ' CG1', 226.597, 254.969, 212.083], ['A', ' CG2', 226.639, 253.431, 214.078], ['A', ' H ', 227.81, 250.923, 212.224], ['A', ' HA ', 225.291, 252.512, 211.916], ['A', ' HB ', 228.116, 253.518, 212.512], ['A', '1HG1', 227.081, 255.746, 212.675], ['A', '2HG1', 226.891, 255.088, 211.042], ['A', '3HG1', 225.517, 255.073, 212.166], ['A', '1HG2', 227.107, 254.22, 214.662], ['A', '2HG2', 225.557, 253.499, 214.17], ['A', '3HG2', 226.967, 252.479, 214.445]]
[['A', ' N ', 225.679, 252.932, 209.562], ['A', ' CA ', 225.903, 253.165, 208.16], ['A', ' C ', 225.484, 254.585, 207.828], ['A', ' O ', 224.317, 254.937, 207.987], ['A', ' CB ', 225.102, 252.139, 207.326], ['A', ' CG1', 225.321, 252.382, 205.808], ['A', ' CG2', 225.528, 250.701, 207.752], ['A', ' H ', 224.751, 252.992, 209.964], ['A', ' HA ', 226.965, 253.054, 207.936], ['A', ' HB ', 224.04, 252.272, 207.518], ['A', '1HG1', 224.739, 251.659, 205.237], ['A', '2HG1', 225.002, 253.392, 205.539], ['A', '3HG1', 226.378, 252.263, 205.57], ['A', '1HG2', 224.963, 249.965, 207.183], ['A', '2HG2', 226.594, 250.567, 207.561], ['A', '3HG2', 225.334, 250.56, 208.809]]
[['A', ' N ', 226.425, 255.399, 207.354], ['A', ' CA ', 226.09, 256.773, 206.997], ['A', ' C ', 226.076, 256.897, 205.492], ['A', ' O ', 227.128, 256.982, 204.854], ['A', ' CB ', 227.09, 257.774, 207.593], ['A', ' CG ', 227.275, 257.762, 209.129], ['A', ' CD1', 228.362, 258.767, 209.502], ['A', ' CD2', 225.956, 258.104, 209.834], ['A', ' H ', 227.369, 255.052, 207.246], ['A', ' HA ', 225.091, 257.009, 207.352], ['A', '1HB ', 228.064, 257.608, 207.138], ['A', '2HB ', 226.757, 258.773, 207.326], ['A', ' HG ', 227.609, 256.778, 209.444], ['A', '1HD1', 228.518, 258.752, 210.583], ['A', '2HD1', 229.294, 258.503, 209.002], ['A', '3HD1', 228.059, 259.769, 209.197], ['A', '1HD2', 226.114, 258.091, 210.913], ['A', '2HD2', 225.623, 259.097, 209.53], ['A', '3HD2', 225.196, 257.372, 209.58]]
[['A', ' N ', 224.882, 256.873, 204.928], ['A', ' CA ', 224.71, 256.902, 203.49], ['A', ' C ', 224.379, 258.299, 203.034], ['A', ' O ', 223.656, 259.022, 203.721], ['A', ' CB ', 223.626, 255.94, 203.075], ['A', ' OG ', 223.383, 256.027, 201.703], ['A', ' H ', 224.062, 256.822, 205.52], ['A', ' HA ', 225.644, 256.601, 203.016], ['A', '1HB ', 223.929, 254.925, 203.333], ['A', '2HB ', 222.716, 256.154, 203.628], ['A', ' HG ', 222.675, 255.398, 201.518]]
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[['A', ' N ', 223.361, 260.73, 199.414], ['A', ' CA ', 223.02, 260.859, 198.001], ['A', ' C ', 222.76, 262.342, 197.75], ['A', ' O ', 222.36, 263.053, 198.673], ['A', ' CB ', 221.796, 259.996, 197.599], ['A', ' CG ', 221.961, 258.438, 197.784], ['A', ' CD ', 220.82, 257.606, 197.181], ['A', ' OE1', 219.991, 258.181, 196.518], ['A', ' OE2', 220.801, 256.409, 197.383], ['A', ' H ', 222.848, 261.292, 200.081], ['A', ' HA ', 223.87, 260.553, 197.392], ['A', '1HB ', 220.926, 260.305, 198.188], ['A', '2HB ', 221.554, 260.185, 196.553], ['A', '1HG ', 222.906, 258.129, 197.336], ['A', '2HG ', 222.017, 258.218, 198.838]]
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[['A', ' N ', 217.626, 268.4, 191.291], ['A', ' CA ', 216.262, 268.427, 190.79], ['A', ' C ', 216.154, 269.177, 189.455], ['A', ' O ', 216.878, 270.152, 189.242], ['A', ' CB ', 215.357, 269.091, 191.819], ['A', ' H ', 217.856, 268.917, 192.131], ['A', ' HA ', 215.958, 267.395, 190.661], ['A', '1HB ', 214.327, 269.09, 191.471], ['A', '2HB ', 215.42, 268.557, 192.759], ['A', '3HB ', 215.68, 270.119, 191.967]]
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[['A', ' N ', 209.649, 251.12, 188.372], ['A', ' CA ', 208.442, 250.834, 187.629], ['A', ' C ', 207.382, 250.146, 188.439], ['A', ' O ', 207.546, 249.011, 188.873], ['A', ' CB ', 208.8, 249.971, 186.386], ['A', ' CG1', 207.553, 249.569, 185.603], ['A', ' CG2', 209.763, 250.768, 185.487], ['A', ' H ', 209.963, 252.088, 188.483], ['A', ' HA ', 208.033, 251.783, 187.281], ['A', ' HB ', 209.276, 249.048, 186.702], ['A', '1HG1', 207.852, 248.969, 184.745], ['A', '2HG1', 206.902, 248.983, 186.221], ['A', '3HG1', 207.032, 250.457, 185.259], ['A', '1HG2', 210.036, 250.169, 184.616], ['A', '2HG2', 209.277, 251.684, 185.157], ['A', '3HG2', 210.666, 251.02, 186.041]]
[['A', ' N ', 206.253, 250.802, 188.652], ['A', ' CA ', 205.252, 250.012, 189.308], ['A', ' C ', 204.984, 248.921, 188.313], ['A', ' O ', 204.675, 249.205, 187.156], ['A', ' CB ', 204.01, 250.805, 189.634], ['A', ' H ', 206.096, 251.744, 188.326], ['A', ' HA ', 205.666, 249.575, 190.217], ['A', '1HB ', 203.27, 250.144, 190.089], ['A', '2HB ', 204.262, 251.604, 190.329], ['A', '3HB ', 203.604, 251.228, 188.719]]
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[['A', ' N ', 200.371, 244.537, 187.587], ['A', ' CA ', 199.717, 243.299, 188.028], ['A', ' C ', 198.536, 242.878, 187.167], ['A', ' O ', 197.766, 241.976, 187.525], ['A', ' CB ', 199.293, 243.418, 189.483], ['A', ' CG ', 200.479, 243.433, 190.44], ['A', ' OD1', 201.13, 242.403, 190.65], ['A', ' ND2', 200.769, 244.577, 191.015], ['A', ' H ', 200.592, 245.165, 188.357], ['A', ' HA ', 200.45, 242.494, 187.962], ['A', '1HB ', 198.711, 244.332, 189.616], ['A', '2HB ', 198.647, 242.58, 189.743], ['A', '1HD2', 201.542, 244.635, 191.647], ['A', '2HD2', 200.222, 245.391, 190.828]]
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[['A', ' N ', 187.561, 208.229, 164.332], ['A', ' CA ', 188.979, 208.239, 164.651], ['A', ' C ', 189.693, 206.924, 164.335], ['A', ' O ', 190.887, 206.797, 164.619], ['A', ' CB ', 189.199, 208.52, 166.133], ['A', ' SG ', 188.67, 207.167, 167.226], ['A', ' H ', 186.901, 207.887, 165.037], ['A', ' HA ', 189.449, 209.034, 164.073], ['A', '1HB ', 190.254, 208.707, 166.316], ['A', '2HB ', 188.651, 209.416, 166.417], ['A', ' HG ', 187.356, 207.175, 166.896]]
[['A', ' N ', 188.992, 205.919, 163.795], ['A', ' CA ', 189.647, 204.624, 163.642], ['A', ' C ', 190.38, 204.41, 162.322], ['A', ' O ', 191.199, 203.498, 162.221], ['A', ' CB ', 188.633, 203.485, 163.856], ['A', ' OG1', 187.623, 203.509, 162.828], ['A', ' CG2', 187.97, 203.702, 165.222], ['A', ' H ', 188.011, 206.028, 163.509], ['A', ' HA ', 190.385, 204.536, 164.438], ['A', ' HB ', 189.142, 202.523, 163.838], ['A', ' HG1', 186.993, 202.802, 162.999], ['A', '1HG2', 187.248, 202.91, 165.409], ['A', '2HG2', 188.736, 203.686, 165.996], ['A', '3HG2', 187.465, 204.662, 165.246]]
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[['A', ' N ', 236.787, 229.094, 204.222], ['A', ' CA ', 236.282, 228.551, 205.471], ['A', ' C ', 237.292, 227.626, 206.101], ['A', ' O ', 237.345, 227.431, 207.322], ['A', ' CB ', 234.979, 227.835, 205.207], ['A', ' CG ', 235.163, 226.824, 204.155], ['A', ' OD1', 235.541, 227.248, 203.074], ['A', ' OD2', 234.945, 225.663, 204.379], ['A', ' H ', 236.359, 228.781, 203.34], ['A', ' HA ', 236.085, 229.373, 206.145], ['A', '1HB ', 234.629, 227.35, 206.121], ['A', '2HB ', 234.222, 228.551, 204.894]]
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[['A', ' N ', 239.769, 228.033, 211.671], ['A', ' CA ', 240.937, 227.99, 212.538], ['A', ' C ', 241.045, 229.33, 213.257], ['A', ' O ', 241.418, 229.394, 214.433], ['A', ' CB ', 242.199, 227.647, 211.735], ['A', ' CG ', 243.493, 227.265, 212.559], ['A', ' CD ', 243.348, 225.946, 213.383], ['A', ' OE1', 242.629, 225.013, 213.0], ['A', ' NE2', 244.055, 225.875, 214.492], ['A', ' H ', 239.875, 228.073, 210.664], ['A', ' HA ', 240.788, 227.213, 213.286], ['A', '1HB ', 241.974, 226.804, 211.078], ['A', '2HB ', 242.448, 228.49, 211.093], ['A', '1HG ', 244.323, 227.14, 211.865], ['A', '2HG ', 243.705, 228.071, 213.256], ['A', '1HE2', 244.011, 225.051, 215.061], ['A', '2HE2', 244.637, 226.638, 214.768]]
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[['A', ' N ', 238.922, 229.39, 216.292], ['A', ' CA ', 239.551, 228.688, 217.404], ['A', ' C ', 240.613, 229.535, 218.072], ['A', ' O ', 240.859, 229.386, 219.268], ['A', ' CB ', 240.165, 227.387, 216.958], ['A', ' OG ', 239.176, 226.469, 216.57], ['A', ' H ', 238.907, 228.964, 215.355], ['A', ' HA ', 238.779, 228.463, 218.14], ['A', '1HB ', 240.828, 227.575, 216.118], ['A', '2HB ', 240.764, 226.968, 217.763], ['A', ' HG ', 239.642, 225.668, 216.323]]
[['A', ' N ', 241.26, 230.42, 217.323], ['A', ' CA ', 242.237, 231.322, 217.912], ['A', ' C ', 241.594, 232.266, 218.923], ['A', ' O ', 242.244, 232.688, 219.879], ['A', ' CB ', 242.932, 232.149, 216.858], ['A', ' H ', 241.09, 230.449, 216.309], ['A', ' HA ', 242.973, 230.71, 218.433], ['A', '1HB ', 243.672, 232.781, 217.342], ['A', '2HB ', 243.415, 231.488, 216.142], ['A', '3HB ', 242.22, 232.772, 216.349]]
[['A', ' N ', 240.341, 232.647, 218.699], ['A', ' CA ', 239.679, 233.58, 219.598], ['A', ' C ', 239.022, 232.891, 220.771], ['A', ' O ', 238.951, 233.42, 221.89], ['A', ' CB ', 238.653, 234.378, 218.828], ['A', ' CG ', 239.181, 235.659, 218.18], ['A', ' CD1', 240.342, 235.361, 217.218], ['A', ' CD2', 238.072, 236.312, 217.434], ['A', ' H ', 239.844, 232.298, 217.868], ['A', ' HA ', 240.428, 234.265, 219.988], ['A', '1HB ', 238.25, 233.744, 218.033], ['A', '2HB ', 237.843, 234.646, 219.503], ['A', ' HG ', 239.544, 236.334, 218.955], ['A', '1HD1', 240.68, 236.296, 216.78], ['A', '2HD1', 241.168, 234.915, 217.741], ['A', '3HD1', 240.002, 234.691, 216.427], ['A', '1HD2', 238.455, 237.231, 216.992], ['A', '2HD2', 237.707, 235.656, 216.645], ['A', '3HD2', 237.259, 236.543, 218.123]]
[['A', ' N ', 238.672, 231.646, 220.581], ['A', ' CA ', 237.987, 230.905, 221.618], ['A', ' C ', 238.959, 230.383, 222.642], ['A', ' O ', 238.583, 229.738, 223.612], ['A', ' CB ', 237.215, 229.74, 221.031], ['A', ' CG ', 236.059, 230.085, 220.077], ['A', ' CD1', 235.513, 228.793, 219.507], ['A', ' CD2', 234.96, 230.86, 220.797], ['A', ' H ', 238.764, 231.262, 219.634], ['A', ' HA ', 237.307, 231.576, 222.129], ['A', '1HB ', 237.919, 229.116, 220.481], ['A', '2HB ', 236.804, 229.156, 221.848], ['A', ' HG ', 236.431, 230.689, 219.258], ['A', '1HD1', 234.703, 229.015, 218.815], ['A', '2HD1', 236.305, 228.263, 218.977], ['A', '3HD1', 235.137, 228.17, 220.314], ['A', '1HD2', 234.157, 231.074, 220.09], ['A', '2HD2', 234.568, 230.262, 221.62], ['A', '3HD2', 235.34, 231.798, 221.182]]
[['A', ' N ', 240.213, 230.715, 222.449], ['A', ' CA ', 241.321, 230.342, 223.288], ['A', ' C ', 241.289, 231.001, 224.666], ['A', ' O ', 242.047, 230.605, 225.547], ['A', ' CB ', 242.61, 230.706, 222.598], ['A', ' H ', 240.424, 231.241, 221.607], ['A', ' HA ', 241.283, 229.263, 223.431], ['A', '1HB ', 243.453, 230.386, 223.208], ['A', '2HB ', 242.647, 230.206, 221.625], ['A', '3HB ', 242.656, 231.784, 222.447]]
[['A', ' N ', 240.456, 232.016, 224.869], ['A', ' CA ', 240.45, 232.722, 226.159], ['A', ' C ', 240.208, 231.933, 227.493], ['A', ' O ', 240.749, 232.343, 228.525], ['A', ' H ', 239.858, 232.327, 224.091], ['A', '1HA ', 241.4, 233.246, 226.25], ['A', '2HA ', 239.698, 233.508, 226.097]]
[['A', ' N ', 239.396, 230.864, 227.522], ['A', ' CA ', 239.12, 230.152, 228.799], ['A', ' C ', 239.198, 228.601, 228.788], ['A', ' O ', 239.357, 227.987, 227.737], ['A', ' CB ', 237.759, 230.583, 229.37], ['A', ' OG1', 236.718, 230.201, 228.461], ['A', ' CG2', 237.718, 232.092, 229.597], ['A', ' H ', 238.968, 230.538, 226.664], ['A', ' HA ', 239.872, 230.481, 229.516], ['A', ' HB ', 237.599, 230.078, 230.328], ['A', ' HG1', 236.622, 229.245, 228.464], ['A', '1HG2', 236.753, 232.366, 230.013], ['A', '2HG2', 238.509, 232.374, 230.292], ['A', '3HG2', 237.856, 232.615, 228.663]]
[['A', ' N ', 239.082, 227.954, 229.993], ['A', ' CA ', 239.017, 226.764, 230.916], ['A', ' C ', 237.6, 226.438, 231.514], ['A', ' O ', 237.012, 227.297, 232.175], ['A', ' CB ', 239.966, 226.991, 232.137], ['A', ' CG1', 241.397, 227.186, 231.664], ['A', ' CG2', 239.882, 225.797, 233.12], ['A', ' CD1', 242.338, 227.683, 232.737], ['A', ' H ', 239.181, 227.192, 229.339], ['A', ' HA ', 239.355, 225.892, 230.356], ['A', ' HB ', 239.667, 227.9, 232.656], ['A', '1HG1', 241.776, 226.243, 231.276], ['A', '2HG1', 241.401, 227.92, 230.858], ['A', '1HG2', 240.52, 225.961, 233.974], ['A', '2HG2', 238.865, 225.677, 233.486], ['A', '3HG2', 240.191, 224.883, 232.614], ['A', '1HD1', 243.329, 227.808, 232.303], ['A', '2HD1', 241.983, 228.644, 233.113], ['A', '3HD1', 242.406, 226.983, 233.556]]
[['A', ' N ', 237.077, 225.193, 231.313], ['A', ' CA ', 235.746, 224.767, 231.843], ['A', ' C ', 235.669, 223.324, 232.47], ['A', ' O ', 235.461, 222.369, 231.71], ['A', ' CB ', 234.672, 224.768, 230.733], ['A', ' OG1', 235.096, 223.901, 229.693], ['A', ' CG2', 234.459, 226.143, 230.171], ['A', ' H ', 237.6, 224.527, 230.762], ['A', ' HA ', 235.455, 225.478, 232.615], ['A', ' HB ', 233.733, 224.401, 231.145], ['A', ' HG1', 235.118, 222.984, 230.058], ['A', '1HG2', 233.698, 226.102, 229.395], ['A', '2HG2', 234.134, 226.812, 230.967], ['A', '3HG2', 235.384, 226.516, 229.744]]
[['A', ' N ', 235.842, 223.14, 233.812], ['A', ' CA ', 235.785, 221.779, 234.454], ['A', ' C ', 235.31, 221.797, 235.934], ['A', ' O ', 235.844, 222.564, 236.735], ['A', ' CB ', 237.123, 221.105, 234.372], ['A', ' OG ', 237.081, 219.863, 235.008], ['A', ' H ', 236.012, 223.947, 234.394], ['A', ' HA ', 235.074, 221.176, 233.886], ['A', '1HB ', 237.399, 220.974, 233.325], ['A', '2HB ', 237.881, 221.735, 234.837], ['A', ' HG ', 237.935, 219.455, 234.841]]
[['A', ' N ', 234.291, 220.982, 236.292], ['A', ' CA ', 233.708, 220.962, 237.667], ['A', ' C ', 233.286, 219.593, 238.291], ['A', ' O ', 232.349, 219.037, 237.711], ['A', ' H ', 233.902, 220.371, 235.587], ['A', '1HA ', 234.441, 221.415, 238.342], ['A', '2HA ', 232.853, 221.632, 237.688]]
[['A', ' N ', 234.264, 218.786, 238.673], ['A', ' CA ', 234.163, 218.057, 239.983], ['A', ' C ', 232.961, 217.062, 240.246], ['A', ' O ', 232.843, 216.574, 241.37], ['A', ' CB ', 234.178, 219.024, 241.211], ['A', ' CG ', 235.451, 219.854, 241.445], ['A', ' CD1', 236.471, 220.063, 240.584], ['A', ' CD2', 235.835, 220.545, 242.672], ['A', ' NE1', 237.44, 220.844, 241.171], ['A', ' CE2', 237.074, 221.144, 242.435], ['A', ' CE3', 235.244, 220.697, 243.917], ['A', ' CZ2', 237.731, 221.89, 243.391], ['A', ' CZ3', 235.914, 221.452, 244.887], ['A', ' CH2', 237.123, 222.033, 244.622], ['A', ' H ', 234.617, 218.188, 237.943], ['A', ' HA ', 235.068, 217.454, 240.06], ['A', '1HB ', 233.344, 219.72, 241.125], ['A', '2HB ', 234.005, 218.446, 242.117], ['A', ' HD1', 236.531, 219.683, 239.57], ['A', ' HE1', 238.294, 221.141, 240.721], ['A', ' HE3', 234.281, 220.242, 244.135], ['A', ' HZ2', 238.697, 222.355, 243.196], ['A', ' HZ3', 235.445, 221.571, 245.862], ['A', ' HH2', 237.616, 222.616, 245.4]]
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[['A', ' N ', 230.787, 213.457, 240.402], ['A', ' CA ', 231.071, 212.008, 240.536], ['A', ' C ', 229.934, 211.051, 240.093], ['A', ' O ', 228.831, 211.479, 239.758], ['A', ' CB ', 231.437, 211.741, 242.029], ['A', ' CG ', 231.711, 210.286, 242.467], ['A', ' CD1', 232.876, 209.628, 242.109], ['A', ' CD2', 230.784, 209.596, 243.255], ['A', ' CE1', 233.093, 208.326, 242.503], ['A', ' CE2', 231.019, 208.3, 243.643], ['A', ' CZ ', 232.166, 207.667, 243.265], ['A', ' H ', 230.106, 213.879, 241.016], ['A', ' HA ', 231.946, 211.786, 239.926], ['A', '1HB ', 232.317, 212.329, 242.272], ['A', '2HB ', 230.627, 212.123, 242.649], ['A', ' HD1', 233.625, 210.146, 241.499], ['A', ' HD2', 229.858, 210.097, 243.555], ['A', ' HE1', 234.012, 207.816, 242.209], ['A', ' HE2', 230.286, 207.768, 244.253], ['A', ' HZ ', 232.345, 206.639, 243.574]]
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[['A', ' N ', 241.79, 244.899, 246.757], ['A', ' CA ', 241.389, 245.972, 245.861], ['A', ' C ', 242.414, 246.132, 244.753], ['A', ' O ', 242.063, 246.257, 243.571], ['A', ' CB ', 241.239, 247.274, 246.619], ['A', ' OG ', 240.851, 248.318, 245.769], ['A', ' H ', 241.951, 245.097, 247.754], ['A', ' HA ', 240.43, 245.713, 245.413], ['A', '1HB ', 240.501, 247.146, 247.41], ['A', '2HB ', 242.189, 247.522, 247.099], ['A', ' HG ', 240.791, 249.098, 246.324]]
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[['A', ' N ', 244.539, 243.893, 243.576], ['A', ' CA ', 244.547, 242.765, 242.669], ['A', ' C ', 243.391, 242.857, 241.728], ['A', ' O ', 243.515, 242.494, 240.546], ['A', ' CB ', 244.485, 241.465, 243.421], ['A', ' CG ', 245.717, 241.144, 244.16], ['A', ' CD ', 245.533, 239.936, 244.978], ['A', ' OE1', 244.42, 239.409, 245.044], ['A', ' NE2', 246.593, 239.476, 245.623], ['A', ' H ', 244.421, 243.74, 244.58], ['A', ' HA ', 245.469, 242.796, 242.089], ['A', '1HB ', 243.675, 241.527, 244.157], ['A', '2HB ', 244.253, 240.646, 242.743], ['A', '1HG ', 246.512, 240.952, 243.442], ['A', '2HG ', 245.99, 241.971, 244.807], ['A', '1HE2', 246.514, 238.659, 246.194], ['A', '2HE2', 247.475, 239.943, 245.541]]
[['A', ' N ', 242.264, 243.335, 242.222], ['A', ' CA ', 241.103, 243.456, 241.388], ['A', ' C ', 241.376, 244.447, 240.282], ['A', ' O ', 241.074, 244.158, 239.123], ['A', ' CB ', 239.885, 243.883, 242.201], ['A', ' OG1', 239.62, 242.9, 243.213], ['A', ' CG2', 238.677, 243.985, 241.282], ['A', ' H ', 242.199, 243.56, 243.22], ['A', ' HA ', 240.895, 242.485, 240.939], ['A', ' HB ', 240.071, 244.846, 242.675], ['A', ' HG1', 240.332, 242.934, 243.896], ['A', '1HG2', 237.808, 244.276, 241.866], ['A', '2HG2', 238.85, 244.727, 240.502], ['A', '3HG2', 238.495, 243.015, 240.819]]
[['A', ' N ', 241.973, 245.601, 240.608], ['A', ' CA ', 242.296, 246.602, 239.614], ['A', ' C ', 243.17, 246.036, 238.527], ['A', ' O ', 242.882, 246.19, 237.343], ['A', ' CB ', 243.002, 247.808, 240.229], ['A', ' CG ', 243.572, 248.891, 239.205], ['A', ' CD1', 242.74, 249.842, 238.606], ['A', ' CD2', 244.95, 248.93, 238.9], ['A', ' CE1', 243.278, 250.813, 237.724], ['A', ' CE2', 245.467, 249.9, 238.022], ['A', ' CZ ', 244.635, 250.83, 237.445], ['A', ' OH ', 245.139, 251.781, 236.602], ['A', ' H ', 242.165, 245.79, 241.604], ['A', ' HA ', 241.366, 246.934, 239.146], ['A', '1HB ', 242.311, 248.312, 240.908], ['A', '2HB ', 243.833, 247.454, 240.84], ['A', ' HD1', 241.674, 249.841, 238.823], ['A', ' HD2', 245.621, 248.203, 239.355], ['A', ' HE1', 242.619, 251.551, 237.267], ['A', ' HE2', 246.534, 249.915, 237.802], ['A', ' HH ', 246.089, 251.66, 236.514]]
[['A', ' N ', 244.241, 245.377, 238.932], ['A', ' CA ', 245.152, 244.868, 237.937], ['A', ' C ', 244.488, 243.833, 237.087], ['A', ' O ', 244.698, 243.804, 235.881], ['A', ' CB ', 246.424, 244.313, 238.559], ['A', ' CG1', 247.278, 243.634, 237.49], ['A', ' CG2', 247.177, 245.436, 239.19], ['A', ' H ', 244.427, 245.26, 239.933], ['A', ' HA ', 245.439, 245.703, 237.29], ['A', ' HB ', 246.166, 243.566, 239.317], ['A', '1HG1', 248.186, 243.25, 237.948], ['A', '2HG1', 246.744, 242.805, 237.029], ['A', '3HG1', 247.54, 244.362, 236.717], ['A', '1HG2', 248.088, 245.053, 239.646], ['A', '2HG2', 247.429, 246.177, 238.435], ['A', '3HG2', 246.562, 245.903, 239.961]]
[['A', ' N ', 243.724, 242.949, 237.7], ['A', ' CA ', 243.088, 241.917, 236.927], ['A', ' C ', 242.194, 242.528, 235.882], ['A', ' O ', 242.214, 242.107, 234.723], ['A', ' CB ', 242.271, 240.99, 237.824], ['A', ' OG1', 243.141, 240.366, 238.772], ['A', ' CG2', 241.603, 239.927, 236.984], ['A', ' H ', 243.589, 242.971, 238.71], ['A', ' HA ', 243.859, 241.336, 236.424], ['A', ' HB ', 241.517, 241.567, 238.361], ['A', ' HG1', 243.432, 241.042, 239.427], ['A', '1HG2', 241.033, 239.265, 237.632], ['A', '2HG2', 240.929, 240.382, 236.263], ['A', '3HG2', 242.361, 239.352, 236.455]]
[['A', ' N ', 241.415, 243.533, 236.255], ['A', ' CA ', 240.53, 244.104, 235.276], ['A', ' C ', 241.267, 244.839, 234.192], ['A', ' O ', 240.846, 244.795, 233.035], ['A', ' CB ', 239.537, 245.017, 235.944], ['A', ' CG ', 238.613, 244.276, 236.834], ['A', ' CD ', 237.856, 243.25, 236.097], ['A', ' OE1', 237.261, 243.531, 235.059], ['A', ' NE2', 237.876, 242.029, 236.607], ['A', ' H ', 241.405, 243.849, 237.232], ['A', ' HA ', 239.989, 243.292, 234.794], ['A', '1HB ', 240.074, 245.75, 236.552], ['A', '2HB ', 238.957, 245.557, 235.198], ['A', '1HG ', 239.181, 243.771, 237.603], ['A', '2HG ', 237.913, 244.975, 237.284], ['A', '1HE2', 237.38, 241.284, 236.154], ['A', '2HE2', 238.393, 241.851, 237.442]]
[['A', ' N ', 242.379, 245.489, 234.516], ['A', ' CA ', 243.103, 246.165, 233.463], ['A', ' C ', 243.63, 245.155, 232.475], ['A', ' O ', 243.587, 245.396, 231.266], ['A', ' CB ', 244.262, 246.985, 234.011], ['A', ' CG ', 244.963, 247.884, 232.969], ['A', ' CD ', 246.034, 247.167, 232.171], ['A', ' OE1', 246.603, 246.184, 232.627], ['A', ' NE2', 246.325, 247.663, 230.982], ['A', ' H ', 242.674, 245.567, 235.497], ['A', ' HA ', 242.417, 246.831, 232.943], ['A', '1HB ', 243.896, 247.624, 234.819], ['A', '2HB ', 245.001, 246.31, 234.453], ['A', '1HG ', 244.212, 248.245, 232.266], ['A', '2HG ', 245.425, 248.725, 233.486], ['A', '1HE2', 247.029, 247.226, 230.419], ['A', '2HE2', 245.849, 248.47, 230.639]]
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[['A', ' N ', 229.562, 247.924, 180.218], ['A', ' CA ', 229.795, 248.786, 181.379], ['A', ' C ', 230.748, 249.934, 181.178], ['A', ' O ', 230.91, 250.771, 182.062], ['A', ' CB ', 230.324, 247.943, 182.496], ['A', ' CG ', 231.601, 247.358, 182.08], ['A', ' OD1', 231.785, 247.119, 180.871], ['A', ' ND2', 232.477, 247.103, 183.004], ['A', ' H ', 230.329, 247.372, 179.843], ['A', ' HA ', 228.842, 249.219, 181.679], ['A', '1HB ', 230.463, 248.543, 183.401], ['A', '2HB ', 229.618, 247.145, 182.725], ['A', '1HD2', 233.358, 246.696, 182.763], ['A', '2HD2', 232.27, 247.312, 183.956]]
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[['A', ' N ', 227.874, 279.222, 254.631], ['A', ' CA ', 228.099, 278.613, 253.321], ['A', ' C ', 227.665, 279.531, 252.205], ['A', ' O ', 226.569, 280.095, 252.249], ['A', ' CB ', 227.349, 277.304, 253.179], ['A', ' CG ', 227.556, 276.726, 251.859], ['A', ' CD1', 228.706, 276.048, 251.577], ['A', ' CD2', 226.622, 276.878, 250.882], ['A', ' CE1', 228.925, 275.535, 250.338], ['A', ' CE2', 226.833, 276.365, 249.642], ['A', ' CZ ', 227.991, 275.692, 249.37], ['A', ' H ', 226.999, 278.917, 255.029], ['A', ' HA ', 229.167, 278.424, 253.208], ['A', '1HB ', 227.691, 276.593, 253.933], ['A', '2HB ', 226.283, 277.466, 253.326], ['A', ' HD1', 229.461, 275.926, 252.355], ['A', ' HD2', 225.703, 277.428, 251.097], ['A', ' HE1', 229.85, 275.001, 250.122], ['A', ' HE2', 226.084, 276.496, 248.861], ['A', ' HZ ', 228.163, 275.287, 248.376]]
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[['A', ' N ', 229.157, 281.274, 244.765], ['A', ' CA ', 229.515, 282.543, 244.164], ['A', ' C ', 228.789, 282.792, 242.856], ['A', ' O ', 229.183, 282.319, 241.792], ['A', ' CB ', 231.042, 282.632, 243.949], ['A', ' CG1', 231.418, 283.962, 243.317], ['A', ' CG2', 231.742, 282.483, 245.291], ['A', ' H ', 229.645, 280.413, 244.554], ['A', ' HA ', 229.244, 283.338, 244.858], ['A', ' HB ', 231.358, 281.841, 243.272], ['A', '1HG1', 232.493, 284.0, 243.172], ['A', '2HG1', 230.935, 284.075, 242.35], ['A', '3HG1', 231.113, 284.767, 243.975], ['A', '1HG2', 232.82, 282.538, 245.149], ['A', '2HG2', 231.421, 283.285, 245.958], ['A', '3HG2', 231.487, 281.524, 245.739]]
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[['A', ' N ', 231.947, 258.308, 243.39], ['A', ' CA ', 231.541, 258.493, 241.989], ['A', ' C ', 232.014, 259.855, 241.461], ['A', ' O ', 232.108, 260.813, 242.231], ['A', ' CB ', 230.033, 258.38, 241.85], ['A', ' H ', 231.25, 258.333, 244.12], ['A', ' HA ', 232.013, 257.713, 241.391], ['A', '1HB ', 229.759, 258.5, 240.802], ['A', '2HB ', 229.707, 257.402, 242.203], ['A', '3HB ', 229.552, 259.158, 242.44]]
[['A', ' N ', 232.31, 259.935, 240.154], ['A', ' CA ', 232.739, 261.189, 239.517], ['A', ' C ', 231.644, 261.874, 238.689], ['A', ' O ', 230.451, 261.681, 238.925], ['A', ' H ', 232.228, 259.106, 239.586], ['A', '1HA ', 233.091, 261.876, 240.287], ['A', '2HA ', 233.595, 260.983, 238.876]]
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[['A', ' N ', 230.906, 264.025, 234.516], ['A', ' CA ', 231.341, 264.43, 233.194], ['A', ' C ', 231.781, 265.874, 233.159], ['A', ' O ', 231.336, 266.695, 233.962], ['A', ' CB ', 230.221, 264.255, 232.198], ['A', ' H ', 229.916, 263.951, 234.694], ['A', ' HA ', 232.188, 263.81, 232.906], ['A', '1HB ', 230.577, 264.555, 231.211], ['A', '2HB ', 229.903, 263.214, 232.173], ['A', '3HB ', 229.39, 264.883, 232.489]]
[['A', ' N ', 232.687, 266.177, 232.243], ['A', ' CA ', 233.047, 267.556, 231.977], ['A', ' C ', 232.06, 268.064, 230.942], ['A', ' O ', 231.655, 267.286, 230.077], ['A', ' CB ', 234.479, 267.658, 231.487], ['A', ' H ', 233.085, 265.442, 231.675], ['A', ' HA ', 232.925, 268.134, 232.89], ['A', '1HB ', 234.716, 268.693, 231.297], ['A', '2HB ', 235.144, 267.266, 232.256], ['A', '3HB ', 234.598, 267.083, 230.573]]
[['A', ' N ', 231.692, 269.345, 230.966], ['A', ' CA ', 230.753, 269.803, 229.942], ['A', ' C ', 231.215, 270.94, 229.013], ['A', ' O ', 231.301, 272.094, 229.44], ['A', ' CB ', 229.462, 270.207, 230.625], ['A', ' CG ', 228.759, 269.071, 231.322], ['A', ' CD1', 229.048, 268.777, 232.624], ['A', ' CD2', 227.812, 268.34, 230.65], ['A', ' CE1', 228.385, 267.771, 233.255], ['A', ' CE2', 227.15, 267.331, 231.282], ['A', ' CZ ', 227.429, 267.051, 232.581], ['A', ' OH ', 226.745, 266.054, 233.227], ['A', ' H ', 232.036, 269.976, 231.676], ['A', ' HA ', 230.529, 268.959, 229.296], ['A', '1HB ', 229.663, 270.987, 231.359], ['A', '2HB ', 228.78, 270.625, 229.884], ['A', ' HD1', 229.8, 269.35, 233.16], ['A', ' HD2', 227.584, 268.576, 229.61], ['A', ' HE1', 228.615, 267.543, 234.297], ['A', ' HE2', 226.392, 266.76, 230.747], ['A', ' HH ', 226.105, 265.662, 232.626]]
[['A', ' N ', 231.484, 270.605, 227.725], ['A', ' CA ', 231.895, 271.6, 226.714], ['A', ' C ', 231.2, 271.374, 225.358], ['A', ' O ', 231.242, 270.262, 224.824], ['A', ' CB ', 233.417, 271.576, 226.501], ['A', ' CG ', 234.218, 271.907, 227.737], ['A', ' CD1', 234.667, 270.897, 228.584], ['A', ' CD2', 234.482, 273.221, 228.034], ['A', ' CE1', 235.375, 271.221, 229.707], ['A', ' CE2', 235.187, 273.538, 229.16], ['A', ' CZ ', 235.631, 272.546, 229.993], ['A', ' OH ', 236.336, 272.87, 231.127], ['A', ' H ', 231.391, 269.636, 227.452], ['A', ' HA ', 231.607, 272.59, 227.068], ['A', '1HB ', 233.72, 270.589, 226.153], ['A', '2HB ', 233.684, 272.291, 225.724], ['A', ' HD1', 234.455, 269.851, 228.355], ['A', ' HD2', 234.125, 274.011, 227.375], ['A', ' HE1', 235.733, 270.447, 230.371], ['A', ' HE2', 235.393, 274.582, 229.396], ['A', ' HH ', 236.429, 273.825, 231.183]]
[['A', ' N ', 230.579, 272.437, 224.812], ['A', ' CA ', 229.929, 272.43, 223.491], ['A', ' C ', 229.684, 273.874, 223.018], ['A', ' O ', 229.445, 274.751, 223.843], ['A', ' CB ', 228.614, 271.62, 223.539], ['A', ' CG1', 227.609, 272.31, 224.437], ['A', ' CG2', 228.04, 271.407, 222.12], ['A', ' H ', 230.582, 273.304, 225.335], ['A', ' HA ', 230.597, 271.943, 222.781], ['A', ' HB ', 228.825, 270.649, 223.98], ['A', '1HG1', 226.705, 271.708, 224.488], ['A', '2HG1', 228.028, 272.42, 225.436], ['A', '3HG1', 227.354, 273.299, 224.044], ['A', '1HG2', 227.138, 270.809, 222.187], ['A', '2HG2', 227.794, 272.343, 221.657], ['A', '3HG2', 228.776, 270.884, 221.514]]
[['A', ' N ', 229.727, 274.115, 221.716], ['A', ' CA ', 229.396, 275.433, 221.171], ['A', ' C ', 228.051, 275.392, 220.508], ['A', ' O ', 227.235, 274.521, 220.803], ['A', ' H ', 229.98, 273.36, 221.094], ['A', '1HA ', 229.405, 276.184, 221.96], ['A', '2HA ', 230.132, 275.726, 220.429]]
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[['A', ' N ', 226.006, 275.51, 216.616], ['A', ' CA ', 226.278, 275.195, 215.204], ['A', ' C ', 225.65, 276.076, 214.123], ['A', ' O ', 224.459, 276.402, 214.15], ['A', ' CB ', 225.893, 273.718, 214.979], ['A', ' CG ', 226.154, 273.07, 213.583], ['A', ' CD1', 226.492, 271.597, 213.812], ['A', ' CD2', 224.891, 273.164, 212.687], ['A', ' H ', 225.162, 275.159, 217.048], ['A', ' HA ', 227.349, 275.26, 215.069], ['A', '1HB ', 226.439, 273.134, 215.699], ['A', '2HB ', 224.834, 273.605, 215.199], ['A', ' HG ', 227.0, 273.558, 213.095], ['A', '1HD1', 226.678, 271.1, 212.876], ['A', '2HD1', 227.381, 271.525, 214.434], ['A', '3HD1', 225.658, 271.11, 214.314], ['A', '1HD2', 225.084, 272.689, 211.727], ['A', '2HD2', 224.058, 272.653, 213.176], ['A', '3HD2', 224.621, 274.181, 212.52]]
[['A', ' N ', 226.501, 276.39, 213.138], ['A', ' CA ', 226.221, 277.155, 211.922], ['A', ' C ', 226.727, 276.427, 210.652], ['A', ' O ', 227.944, 276.299, 210.476], ['A', ' CB ', 226.897, 278.527, 212.009], ['A', ' CG ', 226.843, 279.386, 210.719], ['A', ' CD ', 225.463, 279.826, 210.296], ['A', ' OE1', 224.76, 280.538, 211.022], ['A', ' NE2', 225.064, 279.407, 209.094], ['A', ' H ', 227.461, 276.056, 213.273], ['A', ' HA ', 225.153, 277.335, 211.876], ['A', '1HB ', 226.431, 279.102, 212.809], ['A', '2HB ', 227.946, 278.39, 212.277], ['A', '1HG ', 227.43, 280.286, 210.897], ['A', '2HG ', 227.281, 278.833, 209.887], ['A', '1HE2', 224.162, 279.67, 208.74], ['A', '2HE2', 225.676, 278.799, 208.523]]
[['A', ' N ', 225.848, 275.954, 209.741], ['A', ' CA ', 226.204, 275.29, 208.489], ['A', ' C ', 227.055, 276.21, 207.603], ['A', ' O ', 226.814, 277.426, 207.562], ['A', ' CB ', 224.833, 275.01, 207.857], ['A', ' CG ', 223.87, 274.97, 209.026], ['A', ' CD ', 224.392, 276.012, 209.99], ['A', ' HA ', 226.732, 274.358, 208.701], ['A', '1HB ', 224.59, 275.799, 207.13], ['A', '2HB ', 224.874, 274.063, 207.296], ['A', '1HG ', 222.844, 275.182, 208.689], ['A', '2HG ', 223.857, 273.962, 209.474], ['A', '1HD ', 223.99, 277.0, 209.752], ['A', '2HD ', 224.133, 275.693, 210.997]]
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[['A', ' N ', 206.683, 333.746, 213.455], ['A', ' CA ', 205.793, 332.587, 213.296], ['A', ' C ', 204.312, 332.835, 213.621], ['A', ' O ', 203.905, 333.962, 213.952], ['A', ' CB ', 206.28, 331.443, 214.176], ['A', ' CG ', 206.391, 331.822, 215.638], ['A', ' OD1', 206.132, 332.969, 215.962], ['A', ' OD2', 206.72, 330.955, 216.412], ['A', ' H ', 206.784, 333.943, 214.463], ['A', ' HA ', 205.863, 332.269, 212.268], ['A', '1HB ', 205.563, 330.623, 214.119], ['A', '2HB ', 207.228, 331.081, 213.848]]
[['A', ' N ', 203.496, 331.767, 213.474], ['A', ' CA ', 202.074, 331.738, 213.841], ['A', ' C ', 201.863, 330.345, 214.427], ['A', ' O ', 202.839, 329.624, 214.324], ['A', ' CB ', 201.121, 331.91, 212.622], ['A', ' CG1', 201.376, 333.271, 211.878], ['A', ' CG2', 199.627, 331.804, 213.087], ['A', ' CD1', 200.626, 333.384, 210.549], ['A', ' H ', 203.899, 330.898, 213.15], ['A', ' HA ', 201.872, 332.489, 214.614], ['A', ' HB ', 201.338, 331.137, 211.895], ['A', '1HG1', 201.072, 334.085, 212.518], ['A', '2HG1', 202.434, 333.368, 211.662], ['A', '1HG2', 198.969, 331.91, 212.243], ['A', '2HG2', 199.45, 330.854, 213.538], ['A', '3HG2', 199.42, 332.604, 213.799], ['A', '1HD1', 200.84, 334.33, 210.091], ['A', '2HD1', 200.93, 332.568, 209.886], ['A', '3HD1', 199.558, 333.306, 210.715]]
[['A', ' N ', 201.173, 330.354, 215.586], ['A', ' CA ', 200.388, 329.152, 215.887], ['A', ' C ', 199.329, 329.332, 216.949], ['A', ' O ', 199.564, 330.086, 217.903], ['A', ' CB ', 201.319, 328.052, 216.357], ['A', ' OG ', 200.586, 326.932, 216.745], ['A', ' H ', 201.739, 330.609, 216.371], ['A', ' HA ', 199.916, 328.809, 214.978], ['A', '1HB ', 201.997, 327.778, 215.569], ['A', '2HB ', 201.924, 328.381, 217.198], ['A', ' HG ', 201.259, 326.251, 216.964]]
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[['A', ' N ', 196.333, 327.842, 219.709], ['A', ' CA ', 195.066, 327.579, 220.403], ['A', ' C ', 195.479, 327.542, 221.894], ['A', ' O ', 196.564, 328.091, 222.114], ['A', ' CB ', 194.414, 326.27, 219.919], ['A', ' CG ', 192.915, 326.075, 220.386], ['A', ' CD ', 192.246, 324.844, 219.807], ['A', ' OE1', 192.863, 324.156, 219.023], ['A', ' OE2', 191.11, 324.601, 220.137], ['A', ' H ', 197.049, 327.243, 220.096], ['A', ' HA ', 194.385, 328.402, 220.246], ['A', '1HB ', 194.409, 326.22, 218.843], ['A', '2HB ', 194.993, 325.414, 220.286], ['A', '1HG ', 192.849, 326.001, 221.458], ['A', '2HG ', 192.36, 326.948, 220.076]]
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[['A', ' N ', 192.157, 314.719, 236.958], ['A', ' CA ', 192.136, 313.48, 237.772], ['A', ' C ', 192.82, 312.248, 237.163], ['A', ' O ', 192.118, 311.344, 236.692], ['A', ' CB ', 190.691, 313.042, 238.048], ['A', ' OG1', 190.039, 312.831, 236.807], ['A', ' CG2', 189.942, 314.127, 238.834], ['A', ' H ', 191.8, 314.751, 236.0], ['A', ' HA ', 192.602, 313.69, 238.73], ['A', ' HB ', 190.691, 312.113, 238.62], ['A', ' HG1', 190.476, 312.057, 236.372], ['A', '1HG2', 188.92, 313.797, 239.006], ['A', '2HG2', 190.434, 314.315, 239.791], ['A', '3HG2', 189.924, 315.044, 238.262]]
[['A', ' N ', 194.159, 312.215, 237.076], ['A', ' CA ', 194.982, 311.121, 236.565], ['A', ' C ', 195.143, 309.963, 237.563], ['A', ' O ', 194.892, 310.139, 238.752], ['A', ' CB ', 196.312, 311.825, 236.291], ['A', ' CG ', 196.389, 312.931, 237.327], ['A', ' CD ', 194.955, 313.406, 237.495], ['A', ' HA ', 194.53, 310.757, 235.634], ['A', '1HB ', 197.139, 311.109, 236.355], ['A', '2HB ', 196.308, 312.209, 235.259], ['A', '1HG ', 196.83, 312.564, 238.263], ['A', '2HG ', 197.045, 313.742, 236.966], ['A', '1HD ', 194.784, 313.678, 238.546], ['A', '2HD ', 194.78, 314.248, 236.814]]
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[['A', ' N ', 195.046, 306.314, 239.628], ['A', ' CA ', 194.139, 305.372, 240.326], ['A', ' C ', 194.547, 303.908, 239.993], ['A', ' O ', 195.316, 303.673, 239.058], ['A', ' CB ', 192.666, 305.658, 239.988], ['A', ' CG ', 191.621, 305.002, 240.944], ['A', ' OD1', 191.929, 304.112, 241.756], ['A', ' ND2', 190.388, 305.442, 240.838], ['A', ' H ', 195.838, 306.628, 240.161], ['A', ' HA ', 194.268, 305.499, 241.402], ['A', '1HB ', 192.5, 306.736, 239.961], ['A', '2HB ', 192.451, 305.267, 238.999], ['A', '1HD2', 189.67, 305.057, 241.42], ['A', '2HD2', 190.164, 306.159, 240.176]]
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[['A', ' N ', 195.515, 296.687, 243.682], ['A', ' CA ', 195.21, 295.24, 243.908], ['A', ' C ', 195.029, 294.362, 242.659], ['A', ' O ', 194.78, 294.859, 241.56], ['A', ' CB ', 193.964, 295.036, 244.796], ['A', ' CG ', 194.076, 295.576, 246.213], ['A', ' CD ', 195.159, 294.918, 247.002], ['A', ' OE1', 195.505, 293.802, 246.692], ['A', ' OE2', 195.66, 295.535, 247.908], ['A', ' H ', 196.494, 296.934, 243.682], ['A', ' HA ', 196.056, 294.823, 244.456], ['A', '1HB ', 193.076, 295.435, 244.333], ['A', '2HB ', 193.785, 293.968, 244.896], ['A', '1HG ', 194.244, 296.637, 246.189], ['A', '2HG ', 193.127, 295.405, 246.717]]
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[['A', ' N ', 196.949, 287.047, 242.936], ['A', ' CA ', 196.561, 285.809, 243.628], ['A', ' C ', 197.436, 284.638, 243.149], ['A', ' O ', 197.904, 284.657, 242.01], ['A', ' CB ', 195.105, 285.483, 243.364], ['A', ' CG ', 194.15, 286.48, 243.936], ['A', ' OD1', 193.904, 286.501, 245.147], ['A', ' ND2', 193.593, 287.308, 243.088], ['A', ' H ', 197.182, 286.971, 241.955], ['A', ' HA ', 196.729, 285.936, 244.7], ['A', '1HB ', 194.942, 285.421, 242.289], ['A', '2HB ', 194.879, 284.509, 243.782], ['A', '1HD2', 192.945, 287.992, 243.417], ['A', '2HD2', 193.818, 287.252, 242.118]]
[['A', ' N ', 197.628, 283.607, 243.995], ['A', ' CA ', 198.387, 282.404, 243.594], ['A', ' C ', 198.148, 281.158, 244.465], ['A', ' O ', 198.257, 281.224, 245.691], ['A', ' CB ', 199.882, 282.696, 243.601], ['A', ' SG ', 200.901, 281.307, 243.064], ['A', ' H ', 197.229, 283.651, 244.923], ['A', ' HA ', 198.095, 282.161, 242.574], ['A', '1HB ', 200.071, 283.511, 242.926], ['A', '2HB ', 200.198, 282.997, 244.598], ['A', ' HG ', 200.452, 280.442, 243.978]]
[['A', ' N ', 197.866, 280.02, 243.81], ['A', ' CA ', 197.608, 278.727, 244.47], ['A', ' C ', 198.349, 277.586, 243.73], ['A', ' O ', 198.602, 277.719, 242.531], ['A', ' CB ', 196.097, 278.467, 244.474], ['A', ' CG ', 195.292, 279.592, 245.136], ['A', ' CD1', 194.836, 280.663, 244.36], ['A', ' CD2', 195.023, 279.569, 246.491], ['A', ' CE1', 194.124, 281.692, 244.938], ['A', ' CE2', 194.307, 280.603, 247.068], ['A', ' CZ ', 193.862, 281.66, 246.296], ['A', ' OH ', 193.147, 282.683, 246.875], ['A', ' H ', 197.815, 280.057, 242.801], ['A', ' HA ', 197.98, 278.769, 245.493], ['A', '1HB ', 195.743, 278.346, 243.45], ['A', '2HB ', 195.892, 277.539, 245.004], ['A', ' HD1', 195.044, 280.687, 243.293], ['A', ' HD2', 195.376, 278.742, 247.105], ['A', ' HE1', 193.769, 282.523, 244.332], ['A', ' HE2', 194.095, 280.584, 248.136], ['A', ' HH ', 192.988, 282.484, 247.801]]
[['A', ' N ', 198.681, 276.463, 244.41], ['A', ' CA ', 199.327, 275.34, 243.69], ['A', ' C ', 199.096, 273.892, 244.265], ['A', ' O ', 199.379, 273.656, 245.438], ['A', ' CB ', 200.829, 275.594, 243.638], ['A', ' CG ', 201.583, 274.526, 242.934], ['A', ' CD1', 201.539, 274.422, 241.556], ['A', ' CD2', 202.344, 273.617, 243.653], ['A', ' CE1', 202.23, 273.43, 240.909], ['A', ' CE2', 203.043, 272.626, 243.008], ['A', ' CZ ', 202.984, 272.53, 241.634], ['A', ' H ', 198.476, 276.387, 245.398], ['A', ' HA ', 198.975, 275.408, 242.672], ['A', '1HB ', 201.019, 276.54, 243.123], ['A', '2HB ', 201.223, 275.685, 244.646], ['A', ' HD1', 200.942, 275.134, 240.984], ['A', ' HD2', 202.379, 273.701, 244.745], ['A', ' HE1', 202.185, 273.354, 239.822], ['A', ' HE2', 203.645, 271.921, 243.572], ['A', ' HZ ', 203.535, 271.744, 241.121]]
[['A', ' N ', 198.603, 272.921, 243.43], ['A', ' CA ', 198.378, 271.479, 243.709], ['A', ' C ', 199.537, 270.584, 243.22], ['A', ' O ', 199.87, 270.775, 242.059], ['A', ' CB ', 197.136, 271.176, 242.859], ['A', ' CG ', 197.26, 272.095, 241.658], ['A', ' CD ', 197.977, 273.351, 242.156], ['A', ' HA ', 198.186, 271.322, 244.77], ['A', '1HB ', 197.14, 270.112, 242.583], ['A', '2HB ', 196.226, 271.347, 243.455], ['A', '1HG ', 197.813, 271.59, 240.853], ['A', '2HG ', 196.256, 272.317, 241.254], ['A', '1HD ', 198.749, 273.625, 241.42], ['A', '2HD ', 197.235, 274.15, 242.327]]
[['A', ' N ', 200.498, 270.414, 244.13], ['A', ' CA ', 201.139, 269.086, 244.211], ['A', ' C ', 200.26, 267.946, 244.778], ['A', ' O ', 199.589, 268.136, 245.799], ['A', ' CB ', 202.404, 269.227, 245.079], ['A', ' CG ', 203.344, 267.986, 245.228], ['A', ' CD1', 203.998, 267.646, 243.894], ['A', ' CD2', 204.41, 268.306, 246.266], ['A', ' H ', 201.179, 271.159, 244.144], ['A', ' HA ', 201.427, 268.813, 243.198], ['A', '1HB ', 202.998, 270.033, 244.68], ['A', '2HB ', 202.082, 269.513, 246.078], ['A', ' HG ', 202.766, 267.118, 245.556], ['A', '1HD1', 204.651, 266.782, 244.025], ['A', '2HD1', 203.246, 267.405, 243.15], ['A', '3HD1', 204.587, 268.495, 243.549], ['A', '1HD2', 205.074, 267.448, 246.392], ['A', '2HD2', 204.995, 269.169, 245.941], ['A', '3HD2', 203.928, 268.532, 247.218]]
[['A', ' N ', 200.284, 266.763, 244.103], ['A', ' CA ', 199.585, 265.514, 244.499], ['A', ' C ', 200.458, 264.249, 244.271], ['A', ' O ', 201.31, 264.247, 243.381], ['A', ' CB ', 198.265, 265.363, 243.725], ['A', ' CG ', 197.209, 266.429, 244.017], ['A', ' CD ', 196.56, 266.236, 245.382], ['A', ' OE1', 195.557, 265.524, 245.507], ['A', ' NE2', 197.14, 266.841, 246.407], ['A', ' H ', 200.82, 266.717, 243.246], ['A', ' HA ', 199.376, 265.562, 245.565], ['A', '1HB ', 198.468, 265.38, 242.657], ['A', '2HB ', 197.829, 264.39, 243.956], ['A', '1HG ', 197.653, 267.418, 243.987], ['A', '2HG ', 196.428, 266.357, 243.261], ['A', '1HE2', 196.763, 266.746, 247.326], ['A', '2HE2', 197.99, 267.389, 246.256]]
[['A', ' N ', 200.224, 263.164, 245.056], ['A', ' CA ', 200.959, 261.883, 244.904], ['A', ' C ', 200.193, 260.633, 245.421], ['A', ' O ', 199.175, 260.771, 246.101], ['A', ' CB ', 202.294, 261.953, 245.622], ['A', ' OG ', 202.118, 262.016, 247.011], ['A', ' H ', 199.523, 263.224, 245.782], ['A', ' HA ', 201.146, 261.734, 243.837], ['A', '1HB ', 202.893, 261.08, 245.371], ['A', '2HB ', 202.847, 262.831, 245.285], ['A', ' HG ', 202.994, 262.121, 247.386]]
[['A', ' N ', 200.726, 259.431, 245.077], ['A', ' CA ', 200.278, 258.06, 245.462], ['A', ' C ', 200.777, 257.022, 244.441], ['A', ' O ', 201.638, 257.413, 243.662], ['A', ' CB ', 198.731, 258.011, 245.597], ['A', ' CG ', 198.076, 256.631, 245.847], ['A', ' CD1', 198.193, 255.997, 247.081], ['A', ' CD2', 197.318, 256.039, 244.843], ['A', ' CE1', 197.574, 254.786, 247.293], ['A', ' CE2', 196.705, 254.829, 245.066], ['A', ' CZ ', 196.833, 254.206, 246.282], ['A', ' OH ', 196.216, 253.007, 246.504], ['A', ' H ', 201.556, 259.463, 244.498], ['A', ' HA ', 200.714, 257.809, 246.424], ['A', '1HB ', 198.44, 258.609, 246.443], ['A', '2HB ', 198.271, 258.45, 244.713], ['A', ' HD1', 198.774, 256.457, 247.878], ['A', ' HD2', 197.215, 256.533, 243.876], ['A', ' HE1', 197.667, 254.287, 248.258], ['A', ' HE2', 196.116, 254.366, 244.276], ['A', ' HH ', 195.717, 252.752, 245.725]]
[['A', ' N ', 200.837, 255.791, 244.961], ['A', ' CA ', 200.229, 254.612, 244.358], ['A', ' C ', 201.267, 253.572, 243.956], ['A', ' O ', 200.819, 252.664, 243.267], ['A', ' H ', 201.777, 255.569, 245.294], ['A', '1HA ', 199.523, 254.17, 245.043], ['A', '2HA ', 199.668, 254.919, 243.463]]
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[['A', ' N ', 204.054, 251.113, 243.772], ['A', ' CA ', 204.262, 249.795, 243.157], ['A', ' C ', 205.069, 249.867, 241.852], ['A', ' O ', 204.517, 249.674, 240.767], ['A', ' CB ', 202.953, 249.049, 242.881], ['A', ' CG ', 203.189, 247.613, 242.286], ['A', ' CD ', 203.942, 246.719, 243.222], ['A', ' OE1', 203.395, 246.269, 244.232], ['A', ' NE2', 205.237, 246.485, 242.933], ['A', ' H ', 204.071, 251.175, 244.779], ['A', ' HA ', 204.793, 249.177, 243.871], ['A', '1HB ', 202.379, 248.957, 243.799], ['A', '2HB ', 202.351, 249.62, 242.168], ['A', '1HG ', 202.21, 247.166, 242.148], ['A', '2HG ', 203.704, 247.609, 241.34], ['A', '1HE2', 205.781, 245.905, 243.54], ['A', '2HE2', 205.714, 246.913, 242.111]]
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[['A', ' N ', 226.826, 251.154, 212.25], ['A', ' CA ', 226.373, 252.45, 211.793], ['A', ' C ', 226.697, 252.643, 210.344], ['A', ' O ', 227.855, 252.554, 209.941], ['A', ' CB ', 227.033, 253.582, 212.613], ['A', ' CG1', 226.597, 254.969, 212.083], ['A', ' CG2', 226.639, 253.431, 214.078], ['A', ' H ', 227.81, 250.923, 212.224], ['A', ' HA ', 225.291, 252.512, 211.916], ['A', ' HB ', 228.116, 253.518, 212.512], ['A', '1HG1', 227.081, 255.746, 212.675], ['A', '2HG1', 226.891, 255.088, 211.042], ['A', '3HG1', 225.517, 255.073, 212.166], ['A', '1HG2', 227.107, 254.22, 214.662], ['A', '2HG2', 225.557, 253.499, 214.17], ['A', '3HG2', 226.967, 252.479, 214.445]]
[['A', ' N ', 225.679, 252.932, 209.562], ['A', ' CA ', 225.903, 253.165, 208.16], ['A', ' C ', 225.484, 254.585, 207.828], ['A', ' O ', 224.317, 254.937, 207.987], ['A', ' CB ', 225.102, 252.139, 207.326], ['A', ' CG1', 225.321, 252.382, 205.808], ['A', ' CG2', 225.528, 250.701, 207.752], ['A', ' H ', 224.751, 252.992, 209.964], ['A', ' HA ', 226.965, 253.054, 207.936], ['A', ' HB ', 224.04, 252.272, 207.518], ['A', '1HG1', 224.739, 251.659, 205.237], ['A', '2HG1', 225.002, 253.392, 205.539], ['A', '3HG1', 226.378, 252.263, 205.57], ['A', '1HG2', 224.963, 249.965, 207.183], ['A', '2HG2', 226.594, 250.567, 207.561], ['A', '3HG2', 225.334, 250.56, 208.809]]
[['A', ' N ', 226.425, 255.399, 207.354], ['A', ' CA ', 226.09, 256.773, 206.997], ['A', ' C ', 226.076, 256.897, 205.492], ['A', ' O ', 227.128, 256.982, 204.854], ['A', ' CB ', 227.09, 257.774, 207.593], ['A', ' CG ', 227.275, 257.762, 209.129], ['A', ' CD1', 228.362, 258.767, 209.502], ['A', ' CD2', 225.956, 258.104, 209.834], ['A', ' H ', 227.369, 255.052, 207.246], ['A', ' HA ', 225.091, 257.009, 207.352], ['A', '1HB ', 228.064, 257.608, 207.138], ['A', '2HB ', 226.757, 258.773, 207.326], ['A', ' HG ', 227.609, 256.778, 209.444], ['A', '1HD1', 228.518, 258.752, 210.583], ['A', '2HD1', 229.294, 258.503, 209.002], ['A', '3HD1', 228.059, 259.769, 209.197], ['A', '1HD2', 226.114, 258.091, 210.913], ['A', '2HD2', 225.623, 259.097, 209.53], ['A', '3HD2', 225.196, 257.372, 209.58]]
[['A', ' N ', 224.882, 256.873, 204.928], ['A', ' CA ', 224.71, 256.902, 203.49], ['A', ' C ', 224.379, 258.299, 203.034], ['A', ' O ', 223.656, 259.022, 203.721], ['A', ' CB ', 223.626, 255.94, 203.075], ['A', ' OG ', 223.383, 256.027, 201.703], ['A', ' H ', 224.062, 256.822, 205.52], ['A', ' HA ', 225.644, 256.601, 203.016], ['A', '1HB ', 223.929, 254.925, 203.333], ['A', '2HB ', 222.716, 256.154, 203.628], ['A', ' HG ', 222.675, 255.398, 201.518]]
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[['A', ' N ', 223.361, 260.73, 199.414], ['A', ' CA ', 223.02, 260.859, 198.001], ['A', ' C ', 222.76, 262.342, 197.75], ['A', ' O ', 222.36, 263.053, 198.673], ['A', ' CB ', 221.796, 259.996, 197.599], ['A', ' CG ', 221.961, 258.438, 197.784], ['A', ' CD ', 220.82, 257.606, 197.181], ['A', ' OE1', 219.991, 258.181, 196.518], ['A', ' OE2', 220.801, 256.409, 197.383], ['A', ' H ', 222.848, 261.292, 200.081], ['A', ' HA ', 223.87, 260.553, 197.392], ['A', '1HB ', 220.926, 260.305, 198.188], ['A', '2HB ', 221.554, 260.185, 196.553], ['A', '1HG ', 222.906, 258.129, 197.336], ['A', '2HG ', 222.017, 258.218, 198.838]]
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[['A', ' N ', 217.626, 268.4, 191.291], ['A', ' CA ', 216.262, 268.427, 190.79], ['A', ' C ', 216.154, 269.177, 189.455], ['A', ' O ', 216.878, 270.152, 189.242], ['A', ' CB ', 215.357, 269.091, 191.819], ['A', ' H ', 217.856, 268.917, 192.131], ['A', ' HA ', 215.958, 267.395, 190.661], ['A', '1HB ', 214.327, 269.09, 191.471], ['A', '2HB ', 215.42, 268.557, 192.759], ['A', '3HB ', 215.68, 270.119, 191.967]]
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[['A', ' N ', 209.649, 251.12, 188.372], ['A', ' CA ', 208.442, 250.834, 187.629], ['A', ' C ', 207.382, 250.146, 188.439], ['A', ' O ', 207.546, 249.011, 188.873], ['A', ' CB ', 208.8, 249.971, 186.386], ['A', ' CG1', 207.553, 249.569, 185.603], ['A', ' CG2', 209.763, 250.768, 185.487], ['A', ' H ', 209.963, 252.088, 188.483], ['A', ' HA ', 208.033, 251.783, 187.281], ['A', ' HB ', 209.276, 249.048, 186.702], ['A', '1HG1', 207.852, 248.969, 184.745], ['A', '2HG1', 206.902, 248.983, 186.221], ['A', '3HG1', 207.032, 250.457, 185.259], ['A', '1HG2', 210.036, 250.169, 184.616], ['A', '2HG2', 209.277, 251.684, 185.157], ['A', '3HG2', 210.666, 251.02, 186.041]]
[['A', ' N ', 206.253, 250.802, 188.652], ['A', ' CA ', 205.252, 250.012, 189.308], ['A', ' C ', 204.984, 248.921, 188.313], ['A', ' O ', 204.675, 249.205, 187.156], ['A', ' CB ', 204.01, 250.805, 189.634], ['A', ' H ', 206.096, 251.744, 188.326], ['A', ' HA ', 205.666, 249.575, 190.217], ['A', '1HB ', 203.27, 250.144, 190.089], ['A', '2HB ', 204.262, 251.604, 190.329], ['A', '3HB ', 203.604, 251.228, 188.719]]
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[['A', ' N ', 200.371, 244.537, 187.587], ['A', ' CA ', 199.717, 243.299, 188.028], ['A', ' C ', 198.536, 242.878, 187.167], ['A', ' O ', 197.766, 241.976, 187.525], ['A', ' CB ', 199.293, 243.418, 189.483], ['A', ' CG ', 200.479, 243.433, 190.44], ['A', ' OD1', 201.13, 242.403, 190.65], ['A', ' ND2', 200.769, 244.577, 191.015], ['A', ' H ', 200.592, 245.165, 188.357], ['A', ' HA ', 200.45, 242.494, 187.962], ['A', '1HB ', 198.711, 244.332, 189.616], ['A', '2HB ', 198.647, 242.58, 189.743], ['A', '1HD2', 201.542, 244.635, 191.647], ['A', '2HD2', 200.222, 245.391, 190.828]]
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[['A', ' N ', 187.561, 208.229, 164.332], ['A', ' CA ', 188.979, 208.239, 164.651], ['A', ' C ', 189.693, 206.924, 164.335], ['A', ' O ', 190.887, 206.797, 164.619], ['A', ' CB ', 189.199, 208.52, 166.133], ['A', ' SG ', 188.67, 207.167, 167.226], ['A', ' H ', 186.901, 207.887, 165.037], ['A', ' HA ', 189.449, 209.034, 164.073], ['A', '1HB ', 190.254, 208.707, 166.316], ['A', '2HB ', 188.651, 209.416, 166.417], ['A', ' HG ', 187.356, 207.175, 166.896]]
[['A', ' N ', 188.992, 205.919, 163.795], ['A', ' CA ', 189.647, 204.624, 163.642], ['A', ' C ', 190.38, 204.41, 162.322], ['A', ' O ', 191.199, 203.498, 162.221], ['A', ' CB ', 188.633, 203.485, 163.856], ['A', ' OG1', 187.623, 203.509, 162.828], ['A', ' CG2', 187.97, 203.702, 165.222], ['A', ' H ', 188.011, 206.028, 163.509], ['A', ' HA ', 190.385, 204.536, 164.438], ['A', ' HB ', 189.142, 202.523, 163.838], ['A', ' HG1', 186.993, 202.802, 162.999], ['A', '1HG2', 187.248, 202.91, 165.409], ['A', '2HG2', 188.736, 203.686, 165.996], ['A', '3HG2', 187.465, 204.662, 165.246]]
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[['A', ' N ', 236.787, 229.094, 204.222], ['A', ' CA ', 236.282, 228.551, 205.471], ['A', ' C ', 237.292, 227.626, 206.101], ['A', ' O ', 237.345, 227.431, 207.322], ['A', ' CB ', 234.979, 227.835, 205.207], ['A', ' CG ', 235.163, 226.824, 204.155], ['A', ' OD1', 235.541, 227.248, 203.074], ['A', ' OD2', 234.945, 225.663, 204.379], ['A', ' H ', 236.359, 228.781, 203.34], ['A', ' HA ', 236.085, 229.373, 206.145], ['A', '1HB ', 234.629, 227.35, 206.121], ['A', '2HB ', 234.222, 228.551, 204.894]]
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[['A', ' N ', 239.769, 228.033, 211.671], ['A', ' CA ', 240.937, 227.99, 212.538], ['A', ' C ', 241.045, 229.33, 213.257], ['A', ' O ', 241.418, 229.394, 214.433], ['A', ' CB ', 242.199, 227.647, 211.735], ['A', ' CG ', 243.493, 227.265, 212.559], ['A', ' CD ', 243.348, 225.946, 213.383], ['A', ' OE1', 242.629, 225.013, 213.0], ['A', ' NE2', 244.055, 225.875, 214.492], ['A', ' H ', 239.875, 228.073, 210.664], ['A', ' HA ', 240.788, 227.213, 213.286], ['A', '1HB ', 241.974, 226.804, 211.078], ['A', '2HB ', 242.448, 228.49, 211.093], ['A', '1HG ', 244.323, 227.14, 211.865], ['A', '2HG ', 243.705, 228.071, 213.256], ['A', '1HE2', 244.011, 225.051, 215.061], ['A', '2HE2', 244.637, 226.638, 214.768]]
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[['A', ' N ', 238.922, 229.39, 216.292], ['A', ' CA ', 239.551, 228.688, 217.404], ['A', ' C ', 240.613, 229.535, 218.072], ['A', ' O ', 240.859, 229.386, 219.268], ['A', ' CB ', 240.165, 227.387, 216.958], ['A', ' OG ', 239.176, 226.469, 216.57], ['A', ' H ', 238.907, 228.964, 215.355], ['A', ' HA ', 238.779, 228.463, 218.14], ['A', '1HB ', 240.828, 227.575, 216.118], ['A', '2HB ', 240.764, 226.968, 217.763], ['A', ' HG ', 239.642, 225.668, 216.323]]
[['A', ' N ', 241.26, 230.42, 217.323], ['A', ' CA ', 242.237, 231.322, 217.912], ['A', ' C ', 241.594, 232.266, 218.923], ['A', ' O ', 242.244, 232.688, 219.879], ['A', ' CB ', 242.932, 232.149, 216.858], ['A', ' H ', 241.09, 230.449, 216.309], ['A', ' HA ', 242.973, 230.71, 218.433], ['A', '1HB ', 243.672, 232.781, 217.342], ['A', '2HB ', 243.415, 231.488, 216.142], ['A', '3HB ', 242.22, 232.772, 216.349]]
[['A', ' N ', 240.341, 232.647, 218.699], ['A', ' CA ', 239.679, 233.58, 219.598], ['A', ' C ', 239.022, 232.891, 220.771], ['A', ' O ', 238.951, 233.42, 221.89], ['A', ' CB ', 238.653, 234.378, 218.828], ['A', ' CG ', 239.181, 235.659, 218.18], ['A', ' CD1', 240.342, 235.361, 217.218], ['A', ' CD2', 238.072, 236.312, 217.434], ['A', ' H ', 239.844, 232.298, 217.868], ['A', ' HA ', 240.428, 234.265, 219.988], ['A', '1HB ', 238.25, 233.744, 218.033], ['A', '2HB ', 237.843, 234.646, 219.503], ['A', ' HG ', 239.544, 236.334, 218.955], ['A', '1HD1', 240.68, 236.296, 216.78], ['A', '2HD1', 241.168, 234.915, 217.741], ['A', '3HD1', 240.002, 234.691, 216.427], ['A', '1HD2', 238.455, 237.231, 216.992], ['A', '2HD2', 237.707, 235.656, 216.645], ['A', '3HD2', 237.259, 236.543, 218.123]]
[['A', ' N ', 238.672, 231.646, 220.581], ['A', ' CA ', 237.987, 230.905, 221.618], ['A', ' C ', 238.959, 230.383, 222.642], ['A', ' O ', 238.583, 229.738, 223.612], ['A', ' CB ', 237.215, 229.74, 221.031], ['A', ' CG ', 236.059, 230.085, 220.077], ['A', ' CD1', 235.513, 228.793, 219.507], ['A', ' CD2', 234.96, 230.86, 220.797], ['A', ' H ', 238.764, 231.262, 219.634], ['A', ' HA ', 237.307, 231.576, 222.129], ['A', '1HB ', 237.919, 229.116, 220.481], ['A', '2HB ', 236.804, 229.156, 221.848], ['A', ' HG ', 236.431, 230.689, 219.258], ['A', '1HD1', 234.703, 229.015, 218.815], ['A', '2HD1', 236.305, 228.263, 218.977], ['A', '3HD1', 235.137, 228.17, 220.314], ['A', '1HD2', 234.157, 231.074, 220.09], ['A', '2HD2', 234.568, 230.262, 221.62], ['A', '3HD2', 235.34, 231.798, 221.182]]
[['A', ' N ', 240.213, 230.715, 222.449], ['A', ' CA ', 241.321, 230.342, 223.288], ['A', ' C ', 241.289, 231.001, 224.666], ['A', ' O ', 242.047, 230.605, 225.547], ['A', ' CB ', 242.61, 230.706, 222.598], ['A', ' H ', 240.424, 231.241, 221.607], ['A', ' HA ', 241.283, 229.263, 223.431], ['A', '1HB ', 243.453, 230.386, 223.208], ['A', '2HB ', 242.647, 230.206, 221.625], ['A', '3HB ', 242.656, 231.784, 222.447]]
[['A', ' N ', 240.456, 232.016, 224.869], ['A', ' CA ', 240.45, 232.722, 226.159], ['A', ' C ', 240.208, 231.933, 227.493], ['A', ' O ', 240.749, 232.343, 228.525], ['A', ' H ', 239.858, 232.327, 224.091], ['A', '1HA ', 241.4, 233.246, 226.25], ['A', '2HA ', 239.698, 233.508, 226.097]]
[['A', ' N ', 239.396, 230.864, 227.522], ['A', ' CA ', 239.12, 230.152, 228.799], ['A', ' C ', 239.198, 228.601, 228.788], ['A', ' O ', 239.357, 227.987, 227.737], ['A', ' CB ', 237.759, 230.583, 229.37], ['A', ' OG1', 236.718, 230.201, 228.461], ['A', ' CG2', 237.718, 232.092, 229.597], ['A', ' H ', 238.968, 230.538, 226.664], ['A', ' HA ', 239.872, 230.481, 229.516], ['A', ' HB ', 237.599, 230.078, 230.328], ['A', ' HG1', 236.622, 229.245, 228.464], ['A', '1HG2', 236.753, 232.366, 230.013], ['A', '2HG2', 238.509, 232.374, 230.292], ['A', '3HG2', 237.856, 232.615, 228.663]]
[['A', ' N ', 239.082, 227.954, 229.993], ['A', ' CA ', 239.017, 226.764, 230.916], ['A', ' C ', 237.6, 226.438, 231.514], ['A', ' O ', 237.012, 227.297, 232.175], ['A', ' CB ', 239.966, 226.991, 232.137], ['A', ' CG1', 241.397, 227.186, 231.664], ['A', ' CG2', 239.882, 225.797, 233.12], ['A', ' CD1', 242.338, 227.683, 232.737], ['A', ' H ', 239.181, 227.192, 229.339], ['A', ' HA ', 239.355, 225.892, 230.356], ['A', ' HB ', 239.667, 227.9, 232.656], ['A', '1HG1', 241.776, 226.243, 231.276], ['A', '2HG1', 241.401, 227.92, 230.858], ['A', '1HG2', 240.52, 225.961, 233.974], ['A', '2HG2', 238.865, 225.677, 233.486], ['A', '3HG2', 240.191, 224.883, 232.614], ['A', '1HD1', 243.329, 227.808, 232.303], ['A', '2HD1', 241.983, 228.644, 233.113], ['A', '3HD1', 242.406, 226.983, 233.556]]
[['A', ' N ', 237.077, 225.193, 231.313], ['A', ' CA ', 235.746, 224.767, 231.843], ['A', ' C ', 235.669, 223.324, 232.47], ['A', ' O ', 235.461, 222.369, 231.71], ['A', ' CB ', 234.672, 224.768, 230.733], ['A', ' OG1', 235.096, 223.901, 229.693], ['A', ' CG2', 234.459, 226.143, 230.171], ['A', ' H ', 237.6, 224.527, 230.762], ['A', ' HA ', 235.455, 225.478, 232.615], ['A', ' HB ', 233.733, 224.401, 231.145], ['A', ' HG1', 235.118, 222.984, 230.058], ['A', '1HG2', 233.698, 226.102, 229.395], ['A', '2HG2', 234.134, 226.812, 230.967], ['A', '3HG2', 235.384, 226.516, 229.744]]
[['A', ' N ', 235.842, 223.14, 233.812], ['A', ' CA ', 235.785, 221.779, 234.454], ['A', ' C ', 235.31, 221.797, 235.934], ['A', ' O ', 235.844, 222.564, 236.735], ['A', ' CB ', 237.123, 221.105, 234.372], ['A', ' OG ', 237.081, 219.863, 235.008], ['A', ' H ', 236.012, 223.947, 234.394], ['A', ' HA ', 235.074, 221.176, 233.886], ['A', '1HB ', 237.399, 220.974, 233.325], ['A', '2HB ', 237.881, 221.735, 234.837], ['A', ' HG ', 237.935, 219.455, 234.841]]
[['A', ' N ', 234.291, 220.982, 236.292], ['A', ' CA ', 233.708, 220.962, 237.667], ['A', ' C ', 233.286, 219.593, 238.291], ['A', ' O ', 232.349, 219.037, 237.711], ['A', ' H ', 233.902, 220.371, 235.587], ['A', '1HA ', 234.441, 221.415, 238.342], ['A', '2HA ', 232.853, 221.632, 237.688]]
[['A', ' N ', 234.264, 218.786, 238.673], ['A', ' CA ', 234.163, 218.057, 239.983], ['A', ' C ', 232.961, 217.062, 240.246], ['A', ' O ', 232.843, 216.574, 241.37], ['A', ' CB ', 234.178, 219.024, 241.211], ['A', ' CG ', 235.451, 219.854, 241.445], ['A', ' CD1', 236.471, 220.063, 240.584], ['A', ' CD2', 235.835, 220.545, 242.672], ['A', ' NE1', 237.44, 220.844, 241.171], ['A', ' CE2', 237.074, 221.144, 242.435], ['A', ' CE3', 235.244, 220.697, 243.917], ['A', ' CZ2', 237.731, 221.89, 243.391], ['A', ' CZ3', 235.914, 221.452, 244.887], ['A', ' CH2', 237.123, 222.033, 244.622], ['A', ' H ', 234.617, 218.188, 237.943], ['A', ' HA ', 235.068, 217.454, 240.06], ['A', '1HB ', 233.344, 219.72, 241.125], ['A', '2HB ', 234.005, 218.446, 242.117], ['A', ' HD1', 236.531, 219.683, 239.57], ['A', ' HE1', 238.294, 221.141, 240.721], ['A', ' HE3', 234.281, 220.242, 244.135], ['A', ' HZ2', 238.697, 222.355, 243.196], ['A', ' HZ3', 235.445, 221.571, 245.862], ['A', ' HH2', 237.616, 222.616, 245.4]]
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[['A', ' N ', 230.787, 213.457, 240.402], ['A', ' CA ', 231.071, 212.008, 240.536], ['A', ' C ', 229.934, 211.051, 240.093], ['A', ' O ', 228.831, 211.479, 239.758], ['A', ' CB ', 231.437, 211.741, 242.029], ['A', ' CG ', 231.711, 210.286, 242.467], ['A', ' CD1', 232.876, 209.628, 242.109], ['A', ' CD2', 230.784, 209.596, 243.255], ['A', ' CE1', 233.093, 208.326, 242.503], ['A', ' CE2', 231.019, 208.3, 243.643], ['A', ' CZ ', 232.166, 207.667, 243.265], ['A', ' H ', 230.106, 213.879, 241.016], ['A', ' HA ', 231.946, 211.786, 239.926], ['A', '1HB ', 232.317, 212.329, 242.272], ['A', '2HB ', 230.627, 212.123, 242.649], ['A', ' HD1', 233.625, 210.146, 241.499], ['A', ' HD2', 229.858, 210.097, 243.555], ['A', ' HE1', 234.012, 207.816, 242.209], ['A', ' HE2', 230.286, 207.768, 244.253], ['A', ' HZ ', 232.345, 206.639, 243.574]]
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[['A', ' N ', 241.79, 244.899, 246.757], ['A', ' CA ', 241.389, 245.972, 245.861], ['A', ' C ', 242.414, 246.132, 244.753], ['A', ' O ', 242.063, 246.257, 243.571], ['A', ' CB ', 241.239, 247.274, 246.619], ['A', ' OG ', 240.851, 248.318, 245.769], ['A', ' H ', 241.951, 245.097, 247.754], ['A', ' HA ', 240.43, 245.713, 245.413], ['A', '1HB ', 240.501, 247.146, 247.41], ['A', '2HB ', 242.189, 247.522, 247.099], ['A', ' HG ', 240.791, 249.098, 246.324]]
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[['A', ' N ', 244.539, 243.893, 243.576], ['A', ' CA ', 244.547, 242.765, 242.669], ['A', ' C ', 243.391, 242.857, 241.728], ['A', ' O ', 243.515, 242.494, 240.546], ['A', ' CB ', 244.485, 241.465, 243.421], ['A', ' CG ', 245.717, 241.144, 244.16], ['A', ' CD ', 245.533, 239.936, 244.978], ['A', ' OE1', 244.42, 239.409, 245.044], ['A', ' NE2', 246.593, 239.476, 245.623], ['A', ' H ', 244.421, 243.74, 244.58], ['A', ' HA ', 245.469, 242.796, 242.089], ['A', '1HB ', 243.675, 241.527, 244.157], ['A', '2HB ', 244.253, 240.646, 242.743], ['A', '1HG ', 246.512, 240.952, 243.442], ['A', '2HG ', 245.99, 241.971, 244.807], ['A', '1HE2', 246.514, 238.659, 246.194], ['A', '2HE2', 247.475, 239.943, 245.541]]
[['A', ' N ', 242.264, 243.335, 242.222], ['A', ' CA ', 241.103, 243.456, 241.388], ['A', ' C ', 241.376, 244.447, 240.282], ['A', ' O ', 241.074, 244.158, 239.123], ['A', ' CB ', 239.885, 243.883, 242.201], ['A', ' OG1', 239.62, 242.9, 243.213], ['A', ' CG2', 238.677, 243.985, 241.282], ['A', ' H ', 242.199, 243.56, 243.22], ['A', ' HA ', 240.895, 242.485, 240.939], ['A', ' HB ', 240.071, 244.846, 242.675], ['A', ' HG1', 240.332, 242.934, 243.896], ['A', '1HG2', 237.808, 244.276, 241.866], ['A', '2HG2', 238.85, 244.727, 240.502], ['A', '3HG2', 238.495, 243.015, 240.819]]
[['A', ' N ', 241.973, 245.601, 240.608], ['A', ' CA ', 242.296, 246.602, 239.614], ['A', ' C ', 243.17, 246.036, 238.527], ['A', ' O ', 242.882, 246.19, 237.343], ['A', ' CB ', 243.002, 247.808, 240.229], ['A', ' CG ', 243.572, 248.891, 239.205], ['A', ' CD1', 242.74, 249.842, 238.606], ['A', ' CD2', 244.95, 248.93, 238.9], ['A', ' CE1', 243.278, 250.813, 237.724], ['A', ' CE2', 245.467, 249.9, 238.022], ['A', ' CZ ', 244.635, 250.83, 237.445], ['A', ' OH ', 245.139, 251.781, 236.602], ['A', ' H ', 242.165, 245.79, 241.604], ['A', ' HA ', 241.366, 246.934, 239.146], ['A', '1HB ', 242.311, 248.312, 240.908], ['A', '2HB ', 243.833, 247.454, 240.84], ['A', ' HD1', 241.674, 249.841, 238.823], ['A', ' HD2', 245.621, 248.203, 239.355], ['A', ' HE1', 242.619, 251.551, 237.267], ['A', ' HE2', 246.534, 249.915, 237.802], ['A', ' HH ', 246.089, 251.66, 236.514]]
[['A', ' N ', 244.241, 245.377, 238.932], ['A', ' CA ', 245.152, 244.868, 237.937], ['A', ' C ', 244.488, 243.833, 237.087], ['A', ' O ', 244.698, 243.804, 235.881], ['A', ' CB ', 246.424, 244.313, 238.559], ['A', ' CG1', 247.278, 243.634, 237.49], ['A', ' CG2', 247.177, 245.436, 239.19], ['A', ' H ', 244.427, 245.26, 239.933], ['A', ' HA ', 245.439, 245.703, 237.29], ['A', ' HB ', 246.166, 243.566, 239.317], ['A', '1HG1', 248.186, 243.25, 237.948], ['A', '2HG1', 246.744, 242.805, 237.029], ['A', '3HG1', 247.54, 244.362, 236.717], ['A', '1HG2', 248.088, 245.053, 239.646], ['A', '2HG2', 247.429, 246.177, 238.435], ['A', '3HG2', 246.562, 245.903, 239.961]]
[['A', ' N ', 243.724, 242.949, 237.7], ['A', ' CA ', 243.088, 241.917, 236.927], ['A', ' C ', 242.194, 242.528, 235.882], ['A', ' O ', 242.214, 242.107, 234.723], ['A', ' CB ', 242.271, 240.99, 237.824], ['A', ' OG1', 243.141, 240.366, 238.772], ['A', ' CG2', 241.603, 239.927, 236.984], ['A', ' H ', 243.589, 242.971, 238.71], ['A', ' HA ', 243.859, 241.336, 236.424], ['A', ' HB ', 241.517, 241.567, 238.361], ['A', ' HG1', 243.432, 241.042, 239.427], ['A', '1HG2', 241.033, 239.265, 237.632], ['A', '2HG2', 240.929, 240.382, 236.263], ['A', '3HG2', 242.361, 239.352, 236.455]]
[['A', ' N ', 241.415, 243.533, 236.255], ['A', ' CA ', 240.53, 244.104, 235.276], ['A', ' C ', 241.267, 244.839, 234.192], ['A', ' O ', 240.846, 244.795, 233.035], ['A', ' CB ', 239.537, 245.017, 235.944], ['A', ' CG ', 238.613, 244.276, 236.834], ['A', ' CD ', 237.856, 243.25, 236.097], ['A', ' OE1', 237.261, 243.531, 235.059], ['A', ' NE2', 237.876, 242.029, 236.607], ['A', ' H ', 241.405, 243.849, 237.232], ['A', ' HA ', 239.989, 243.292, 234.794], ['A', '1HB ', 240.074, 245.75, 236.552], ['A', '2HB ', 238.957, 245.557, 235.198], ['A', '1HG ', 239.181, 243.771, 237.603], ['A', '2HG ', 237.913, 244.975, 237.284], ['A', '1HE2', 237.38, 241.284, 236.154], ['A', '2HE2', 238.393, 241.851, 237.442]]
[['A', ' N ', 242.379, 245.489, 234.516], ['A', ' CA ', 243.103, 246.165, 233.463], ['A', ' C ', 243.63, 245.155, 232.475], ['A', ' O ', 243.587, 245.396, 231.266], ['A', ' CB ', 244.262, 246.985, 234.011], ['A', ' CG ', 244.963, 247.884, 232.969], ['A', ' CD ', 246.034, 247.167, 232.171], ['A', ' OE1', 246.603, 246.184, 232.627], ['A', ' NE2', 246.325, 247.663, 230.982], ['A', ' H ', 242.674, 245.567, 235.497], ['A', ' HA ', 242.417, 246.831, 232.943], ['A', '1HB ', 243.896, 247.624, 234.819], ['A', '2HB ', 245.001, 246.31, 234.453], ['A', '1HG ', 244.212, 248.245, 232.266], ['A', '2HG ', 245.425, 248.725, 233.486], ['A', '1HE2', 247.029, 247.226, 230.419], ['A', '2HE2', 245.849, 248.47, 230.639]]
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[['A', ' N ', 229.562, 247.924, 180.218], ['A', ' CA ', 229.795, 248.786, 181.379], ['A', ' C ', 230.748, 249.934, 181.178], ['A', ' O ', 230.91, 250.771, 182.062], ['A', ' CB ', 230.324, 247.943, 182.496], ['A', ' CG ', 231.601, 247.358, 182.08], ['A', ' OD1', 231.785, 247.119, 180.871], ['A', ' ND2', 232.477, 247.103, 183.004], ['A', ' H ', 230.329, 247.372, 179.843], ['A', ' HA ', 228.842, 249.219, 181.679], ['A', '1HB ', 230.463, 248.543, 183.401], ['A', '2HB ', 229.618, 247.145, 182.725], ['A', '1HD2', 233.358, 246.696, 182.763], ['A', '2HD2', 232.27, 247.312, 183.956]]
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daq_score_w9.pdb
daq_score_atom_w9.pdb
Please open it in pymol and visualize it by putting the following command to Pymol:
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spectrum b, red_white_blue, all, -1,1
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gcc -std=c99 -o DAQscore_colab main.c chkcmdline.o mrc.o readpdb.o thread.o dp.o -lm -O3 -msse4.2 -msse -msse2 -msse3 -mmmx -ftree-vectorize -ftree-vectorizer-verbose=3 -ffast-math -march=native -funroll-loops -fopenmp
rank_004_alphafold2_ptm_model_3_seed_000_s2 existed
Origin: (0., 0., 0.)
Previous voxel size: 1.0
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resizing finished!
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Finished processing model input!
0 batch processing time 1.048991
1 batch processing time 0.923312
2 batch processing time 0.933001
3 batch processing time 0.945820
4 batch processing time 0.926729
5 batch processing time 0.936332
6 batch processing time 0.944156
7 batch processing time 0.925863
8 batch processing time 0.940719
9 batch processing time 0.942610
10 batch processing time 0.925778
11 batch processing time 0.939178
12 batch processing time 0.939564
13 batch processing time 0.925979
14 batch processing time 0.952111
15 batch processing time 0.927492
16 batch processing time 0.930805
17 batch processing time 0.945083
18 batch processing time 0.925389
19 batch processing time 0.930465
20 batch processing time 0.946609
21 batch processing time 0.923252
22 batch processing time 0.934123
23 batch processing time 0.941597
24 batch processing time 0.924076
25 batch processing time 0.937293
26 batch processing time 0.938344
27 batch processing time 0.927436
28 batch processing time 0.941107
29 batch processing time 0.931157
30 batch processing time 0.932991
31 batch processing time 0.946811
32 batch processing time 0.926063
33 batch processing time 0.930460
34 batch processing time 0.944448
35 batch processing time 0.921077
36 batch processing time 0.930726
37 batch processing time 0.942349
38 batch processing time 0.923019
39 batch processing time 0.934811
40 batch processing time 0.946605
41 batch processing time 0.928334
42 batch processing time 0.933069
43 batch processing time 0.937677
44 batch processing time 0.925805
45 batch processing time 0.954980
46 batch processing time 0.930761
47 batch processing time 0.932937
48 batch processing time 0.952135
49 batch processing time 0.928850
50 batch processing time 0.937417
51 batch processing time 0.951789
52 batch processing time 0.930326
53 batch processing time 0.938245
54 batch processing time 0.946346
55 batch processing time 0.926940
56 batch processing time 0.941555
57 batch processing time 0.941405
58 batch processing time 0.929568
59 batch processing time 0.943452
60 batch processing time 0.933692
61 batch processing time 0.929651
62 batch processing time 0.953599
63 batch processing time 0.926175
64 batch processing time 0.934754
65 batch processing time 0.947463
66 batch processing time 0.925605
67 batch processing time 0.936890
68 batch processing time 0.947050
69 batch processing time 0.926941
70 batch processing time 0.938530
71 batch processing time 0.943999
72 batch processing time 0.929373
73 batch processing time 0.954278
74 batch processing time 0.936717
75 batch processing time 0.930519
76 batch processing time 0.952146
77 batch processing time 0.928839
78 batch processing time 0.932043
79 batch processing time 0.949778
80 batch processing time 0.928324
81 batch processing time 0.936035
82 batch processing time 0.948808
83 batch processing time 0.928940
84 batch processing time 0.938943
85 batch processing time 0.945210
86 batch processing time 0.928793
87 batch processing time 0.945244
88 batch processing time 0.937572
89 batch processing time 0.931097
90 batch processing time 0.947698
91 batch processing time 0.931630
92 batch processing time 0.932157
93 batch processing time 0.950867
94 batch processing time 0.926879
95 batch processing time 0.935108
96 batch processing time 0.951292
97 batch processing time 0.924092
98 batch processing time 0.935503
99 batch processing time 0.943691
100 batch processing time 0.927820
101 batch processing time 0.939446
102 batch processing time 0.943855
103 batch processing time 0.930291
104 batch processing time 0.939388
105 batch processing time 0.944797
106 batch processing time 0.930551
107 batch processing time 0.954269
108 batch processing time 0.930069
109 batch processing time 0.933908
110 batch processing time 0.946964
111 batch processing time 0.929796
112 batch processing time 0.938643
113 batch processing time 0.951925
114 batch processing time 0.922719
115 batch processing time 0.935382
116 batch processing time 0.942842
117 batch processing time 0.926816
118 batch processing time 0.942161
119 batch processing time 0.936337
120 batch processing time 0.927850
121 batch processing time 0.944427
122 batch processing time 0.925341
123 batch processing time 0.927322
124 batch processing time 0.948228
125 batch processing time 0.923938
126 batch processing time 0.931307
127 batch processing time 0.944731
128 batch processing time 0.922054
129 batch processing time 0.935264
130 batch processing time 0.944552
131 batch processing time 0.925624
132 batch processing time 0.937887
133 batch processing time 0.940819
134 batch processing time 0.924614
135 batch processing time 0.944265
136 batch processing time 0.930174
137 batch processing time 0.933855
138 batch processing time 0.945111
139 batch processing time 0.924126
140 batch processing time 0.927485
141 batch processing time 0.948603
142 batch processing time 0.920364
143 batch processing time 0.932164
144 batch processing time 0.943062
145 batch processing time 0.920988
146 batch processing time 0.933203
147 batch processing time 0.939479
148 batch processing time 0.922522
149 batch processing time 0.932843
prediction.txt, please have a check!
exe_path
daq_raw_score.pdb
total different chains: {'A'}
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[['A', ' N ', 237.38, 183.488, 205.546], ['A', ' CA ', 238.401, 183.251, 206.59], ['A', ' C ', 239.228, 181.976, 206.329], ['A', ' O ', 238.951, 181.242, 205.38], ['A', ' CB ', 237.712, 183.173, 207.981], ['A', ' CG ', 238.659, 183.35, 209.234], ['A', ' OD1', 239.836, 183.577, 209.03], ['A', ' OD2', 238.2, 183.232, 210.342], ['A', ' H ', 237.58, 184.22, 204.878], ['A', ' HA ', 239.082, 184.1, 206.601], ['A', '1HB ', 236.933, 183.93, 208.032], ['A', '2HB ', 237.233, 182.204, 208.079]]
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[['A', ' N ', 242.904, 181.696, 208.442], ['A', ' CA ', 244.129, 181.44, 209.225], ['A', ' C ', 245.518, 181.671, 208.601], ['A', ' O ', 245.662, 182.093, 207.457], ['A', ' CB ', 244.081, 179.976, 209.662], ['A', ' SG ', 242.708, 179.625, 210.712], ['A', ' H ', 242.726, 182.687, 208.331], ['A', ' HA ', 244.062, 182.067, 210.113], ['A', '1HB ', 244.0, 179.346, 208.783], ['A', '2HB ', 244.988, 179.678, 210.178], ['A', ' HG ', 241.915, 180.534, 210.137]]
[['A', ' N ', 246.527, 181.351, 209.422], ['A', ' CA ', 247.977, 181.324, 209.158], ['A', ' C ', 248.735, 182.654, 209.161], ['A', ' O ', 249.002, 183.101, 208.049], ['A', ' CB ', 248.192, 180.597, 207.815], ['A', ' CG ', 247.429, 179.277, 207.767], ['A', ' CD1', 246.404, 179.072, 206.832], ['A', ' CD2', 247.691, 178.268, 208.677], ['A', ' CE1', 245.697, 177.898, 206.812], ['A', ' CE2', 246.969, 177.098, 208.655], ['A', ' CZ ', 245.972, 176.914, 207.721], ['A', ' H ', 246.268, 181.077, 210.36], ['A', ' HA ', 248.429, 180.706, 209.923], ['A', '1HB ', 247.877, 181.223, 206.978], ['A', '2HB ', 249.253, 180.381, 207.686], ['A', ' HD1', 246.168, 179.867, 206.107], ['A', ' HD2', 248.475, 178.407, 209.42], ['A', ' HE1', 244.916, 177.753, 206.077], ['A', ' HE2', 247.186, 176.316, 209.377], ['A', ' HZ ', 245.405, 175.987, 207.707]]
[['A', ' N ', 248.23, 183.473, 210.079], ['A', ' CA ', 249.026, 184.4, 210.894], ['A', ' C ', 250.517, 184.63, 210.559], ['A', ' O ', 250.885, 185.513, 209.786], ['A', ' CB ', 248.936, 183.997, 212.384], ['A', ' OG1', 249.516, 182.691, 212.594], ['A', ' CG2', 247.477, 183.931, 212.781], ['A', ' H ', 247.417, 183.951, 209.725], ['A', ' HA ', 248.542, 185.378, 210.803], ['A', ' HB ', 249.454, 184.732, 213.002], ['A', ' HG1', 249.562, 182.516, 213.551], ['A', '1HG2', 247.4, 183.647, 213.828], ['A', '2HG2', 247.018, 184.908, 212.633], ['A', '3HG2', 246.957, 183.193, 212.169]]
[['A', ' N ', 251.352, 183.886, 211.304], ['A', ' CA ', 252.815, 184.016, 211.42], ['A', ' C ', 253.693, 183.136, 210.524], ['A', ' O ', 253.175, 182.352, 209.731], ['A', ' CB ', 253.196, 183.803, 212.868], ['A', ' CG ', 252.629, 184.861, 213.748], ['A', ' OD1', 252.595, 186.044, 213.392], ['A', ' ND2', 252.17, 184.463, 214.902], ['A', ' H ', 250.907, 183.162, 211.852], ['A', ' HA ', 253.064, 185.043, 211.162], ['A', '1HB ', 252.847, 182.83, 213.197], ['A', '2HB ', 254.278, 183.822, 212.981], ['A', '1HD2', 251.774, 185.127, 215.537], ['A', '2HD2', 252.218, 183.496, 215.16]]
[['A', ' N ', 255.037, 183.308, 210.706], ['A', ' CA ', 256.217, 182.654, 210.066], ['A', ' C ', 257.175, 183.695, 209.433], ['A', ' O ', 256.619, 184.75, 209.139], ['A', ' CB ', 255.776, 181.536,
INFO : STEP-0 DAQ started
INFO: start DAQ-refine for chain B
chain_B existed
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resizing finished!
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Finished processing model input!
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prediction.txt, please have a check!
exe_path
daq_raw_score.pdb
total different chains: {'B'}
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[['B', ' N ', 240.562, 278.539, 247.003], ['B', ' CA ', 241.431, 277.397, 246.756], ['B', ' C ', 241.13, 276.325, 247.792], ['B', ' O ', 241.286, 276.58, 248.991], ['B', ' CB ', 242.888, 277.807, 246.832], ['B', ' CG ', 243.37, 278.635, 245.672], ['B', ' CD1', 243.759, 278.045, 244.491], ['B', ' CD2', 243.44, 280.005, 245.765], ['B', ' CE1', 244.209, 278.801, 243.44], ['B', ' CE2', 243.884, 280.763, 244.722], ['B', ' CZ ', 244.268, 280.16, 243.563], ['B', ' OH ', 244.713, 280.933, 242.525]]
[['B', ' N ', 240.712, 275.128, 247.388], ['B', ' CA ', 240.237, 274.153, 248.381], ['B', ' C ', 241.272, 273.787, 249.423], ['B', ' O ', 240.919, 273.608, 250.594], ['B', ' CB ', 239.851, 272.946, 247.52], ['B', ' CG ', 240.656, 273.1, 246.284], ['B', ' CD ', 240.72, 274.57, 246.03]]
[['B', ' N ', 242.538, 273.678, 249.042], ['B', ' CA ', 243.564, 273.269, 249.99], ['B', ' C ', 244.923, 273.719, 249.46], ['B', ' O ', 245.0, 274.541, 248.541], ['B', ' CB ', 243.487, 271.756, 250.237], ['B', ' CG ', 243.969, 270.959, 249.06], ['B', ' OD1', 245.197, 270.861, 248.88], ['B', ' OD2', 243.125, 270.432, 248.312]]
[['B', ' N ', 245.992, 273.168, 250.03], ['B', ' CA ', 247.356, 273.644, 249.812], ['B', ' C ', 248.114, 272.809, 248.788], ['B', ' O ', 249.309, 272.566, 248.942], ['B', ' CB ', 248.104, 273.677, 251.139], ['B', ' CG ', 247.5, 274.646, 252.143], ['B', ' CD ', 247.701, 274.179, 253.571], ['B', ' CE ', 248.995, 274.719, 254.145], ['B', ' NZ ', 248.938, 276.194, 254.32]]
[['B', ' N ', 247.443, 272.358, 247.734], ['B', ' CA ', 248.05, 271.554, 246.678], ['B', ' C ', 248.138, 272.375, 245.399], ['B', ' O ', 247.175, 273.047, 245.014], ['B', ' CB ', 247.249, 270.261, 246.44], ['B', ' CG1', 247.574, 269.682, 245.095], ['B', ' CG2', 247.56, 269.252, 247.52]]
[['B', ' N ', 249.293, 272.322, 244.747], ['B', ' CA ', 249.503, 272.956, 243.455], ['B', ' C ', 249.108, 271.999, 242.342], ['B', ' O ', 249.21, 270.783, 242.489], ['B', ' CB ', 250.969, 273.361, 243.306], ['B', ' CG ', 251.381, 273.723, 241.905], ['B', ' CD1', 251.779, 272.756, 241.003], ['B', ' CD2', 251.423, 275.038, 241.509], ['B', ' CE1', 252.171, 273.095, 239.731], ['B', ' CE2', 251.819, 275.379, 240.239], ['B', ' CZ ', 252.193, 274.407, 239.35]]
[['B', ' N ', 248.663, 272.561, 241.22], ['B', ' CA ', 248.418, 271.795, 240.004], ['B', ' C ', 248.736, 272.689, 238.815], ['B', ' O ', 248.904, 273.899, 238.957], ['B', ' CB ', 246.978, 271.272, 239.932], ['B', ' CG ', 246.596, 270.32, 241.048], ['B', ' CD ', 245.233, 269.709, 240.839], ['B', ' NE ', 244.8, 268.916, 241.985], ['B', ' CZ ', 244.528, 269.41, 243.189], ['B', ' NH1', 244.634, 270.708, 243.424], ['B', ' NH2', 244.138, 268.602, 244.163]]
[['B', ' N ', 248.824, 272.09, 237.631], ['B', ' CA ', 249.259, 272.835, 236.455], ['B', ' C ', 248.455, 272.43, 235.234], ['B', ' O ', 248.542, 271.284, 234.787], ['B', ' CB ', 250.748, 272.615, 236.189], ['B', ' OG ', 251.099, 273.077, 234.897]]
[['B', ' N ', 247.704, 273.383, 234.686], ['B', ' CA ', 247.052, 273.249, 233.385], ['B', ' C ', 246.18, 272.0, 233.312], ['B', ' O ', 246.193, 271.259, 232.328], ['B', ' CB ', 248.086, 273.255, 232.262], ['B', ' OG ', 247.47, 273.047, 231.006]]
[['B', ' N ', 245.41, 271.766, 234.371], ['B', ' CA ', 244.505, 270.628, 234.447], ['B', ' C ', 243.162, 271.102, 234.979], ['B', ' O ', 243.019, 272.223, 235.464], ['B', ' CB ', 245.052, 269.496, 235.336], ['B', ' CG1', 246.347, 268.952, 234.773], ['B', ' CG2', 245.249, 269.994, 236.748]]
[['B', ' N ', 242.169, 270.226, 234.871], ['B', ' CA ', 240.851, 270.441, 235.445], ['B', ' C ', 240.652, 269.467, 236.595], ['B', ' O ', 240.959, 268.279, 236.474], ['B', ' CB ', 239.748, 270.252, 234.407], ['B', ' CG ', 239.994, 270.853, 233.028], ['B', ' CD1', 238.753, 270.749, 232.184], ['B', ' CD2', 240.408, 272.29, 233.146]]
[['B', ' N ', 240.136, 269.974, 237.706], ['B', ' CA ', 240.052, 269.215, 238.94], ['B', ' C ', 238.629, 269.267, 239.474], ['B', ' O ', 237.946, 270.286, 239.36], ['B', ' CB ', 241.031, 269.767, 239.97], ['B', ' CG ', 241.144, 268.936, 241.205], ['B', ' CD2', 240.72, 269.156, 242.47], ['B', ' ND1', 241.78, 267.715, 241.221], ['B', ' CE1', 241.734, 267.214, 242.442], ['B', ' NE2', 241.095, 268.068, 243.219]]
[['B', ' N ', 238.182, 268.157, 240.053], ['B', ' CA ', 236.84, 268.047, 240.608], ['B', ' C ', 236.928, 268.01, 242.125], ['B', ' O ', 237.612, 267.153, 242.689], ['B', ' CB ', 236.132, 266.798, 240.088], ['B', ' OG ', 234.858, 266.649, 240.684]]
[['B', ' N ', 236.234, 268.933, 242.776], ['B', ' CA ', 236.277, 269.093, 244.22], ['B', ' C ', 234.899, 268.787, 244.795], ['B', ' O ', 233.89, 268.815, 244.089], ['B', ' CB ', 236.723, 270.513, 244.584], ['B', ' CG2', 237.1, 270.604, 246.052], ['B', ' OG1', 237.877, 270.854, 243.808]]
[['B', ' N ', 234.851, 268.483, 246.092], ['B', ' CA ', 233.595, 268.102, 246.718], ['B', ' C ', 233.247, 268.91, 247.961], ['B', ' O ', 232.09, 268.876, 248.388], ['B', ' CB ', 233.624, 266.606, 247.075], ['B', ' CG ', 232.29, 266.028, 247.52], ['B', ' CD ', 232.279, 264.516, 247.523], ['B', ' NE2', 231.086, 263.934, 247.52], ['B', ' OE1', 233.329, 263.876, 247.531]]
[['B', ' N ', 234.183, 269.654, 248.538], ['B', ' CA ', 233.955, 270.299, 249.822], ['B', ' C ', 233.118, 271.565, 249.638], ['B', ' O ', 232.545, 271.806, 248.575], ['B', ' CB ', 235.285, 270.577, 250.515], ['B', ' CG ', 235.839, 269.35, 251.22], ['B', ' OD1', 235.031, 268.521, 251.689], ['B', ' OD2', 237.078, 269.211, 251.303]]
[['B', ' N ', 233.039, 272.384, 250.684], ['B', ' CA ', 232.082, 273.481, 250.73], ['B', ' C ', 232.389, 274.56, 249.698], ['B', ' O ', 233.547, 274.854, 249.393], ['B', ' CB ', 232.065, 274.106, 252.119], ['B', ' CG ', 231.552, 273.188, 253.22], ['B', ' CD1', 231.073, 274.008, 254.391], ['B', ' CD2', 230.444, 272.298, 252.703]]
[['B', ' N ', 231.323, 275.162, 249.171], ['B', ' CA ', 231.413, 276.277, 248.24], ['B', ' C ', 230.143, 277.105, 248.362], ['B', ' O ', 229.257, 276.803, 249.164], ['B', ' CB ', 231.602, 275.796, 246.803], ['B', ' CG ', 232.934, 275.181, 246.542], ['B', ' CD1', 234.056, 275.966, 246.402], ['B', ' CD2', 233.065, 273.816, 246.439], ['B', ' CE1', 235.283, 275.399, 246.162], ['B', ' CE2', 234.286, 273.246, 246.205], ['B', ' CZ ', 235.398, 274.038, 246.066]]
[['B', ' N ', 230.06, 278.16, 247.553], ['B', ' CA ', 228.853, 278.967, 247.443], ['B', ' C ', 228.247, 278.76, 246.067], ['B', ' O ', 228.932, 279.013, 245.065], ['B', ' CB ', 229.16, 280.44, 247.663], ['B', ' CG ', 227.93, 281.327, 247.52], ['B', ' CD1', 226.997, 281.083, 248.676], ['B', ' CD2', 228.326, 282.783, 247.453]]
[['B', ' N ', 226.994, 278.32, 245.954], ['B', ' CA ', 226.468, 277.929, 244.642], ['B', ' C ', 226.463, 279.087, 243.656], ['B', ' O ', 226.324, 280.253, 244.029], ['B', ' CB ', 225.044, 277.461, 244.96], ['B', ' CG ', 225.069, 277.129, 246.399], ['B', ' CD ', 225.999, 278.111, 247.016]]
[['B', ' N ', 226.643, 278.752, 242.382], ['B', ' CA ', 226.557, 279.75, 241.33], ['B', ' C ', 225.121, 280.21, 241.123], ['B', ' O ', 224.164, 279.463, 241.345], ['B', ' CB ', 227.12, 279.209, 240.018], ['B', ' CG ', 228.607, 279.053, 240.014], ['B', ' CD1', 229.382, 279.654, 240.983], ['B', ' CD2', 229.233, 278.341, 239.02], ['B', ' CE1', 230.748, 279.524, 240.97], ['B', ' CE2', 230.598, 278.212, 239.005], ['B', ' CZ ', 231.354, 278.802, 239.979]]
[['B', ' N ', 224.986, 281.46, 240.681], ['B', ' CA ', 223.696, 282.1, 240.444], ['B', ' C ', 222.787, 281.96, 241.665], ['B', ' O ', 221.656, 281.482, 241.586], ['B', ' CB ', 223.032, 281.535, 239.189], ['B', ' CG ', 223.639, 282.027, 237.907], ['B', ' CD1', 224.802, 281.463, 237.413], ['B', ' CD2', 223.043, 283.049, 237.19], ['B', ' CE1', 225.359, 281.908, 236.228], ['B', ' CE2', 223.597, 283.499, 236.008], ['B', ' CZ ', 224.755, 282.928, 235.526]]
[['B', ' N ', 223.308, 282.388, 242.805], ['B', ' CA ', 222.621, 282.292, 244.081], ['B', ' C ', 222.193, 283.68, 244.54], ['B', ' O ', 222.407, 284.681, 243.853], ['B', ' CB ', 223.512, 281.626, 245.128], ['B', ' OG ', 223.04, 281.899, 246.434]]
[['B', ' N ', 221.576, 283.731, 245.719], ['B', ' CA ', 221.041, 284.966, 246.279], ['B', ' C ', 221.608, 285.211, 247.67], ['B', ' O ', 221.648, 284.302, 248.505], ['B', ' CB ', 219.51, 284.93, 246.309], ['B', ' CG ', 218.959, 283.652, 246.914], ['B', ' ND2', 217.643, 283.438, 246.806], ['B', ' OD1', 219.709, 282.854, 247.465]]
[['B', ' N ', 222.051, 286.441, 247.91], ['B', ' CA ', 222.602, 286.847, 249.197], ['B', ' C ', 221.642, 287.848, 249.817], ['B', ' O ', 220.57, 288.109, 249.264], ['B', ' CB ', 224.009, 287.446, 249.042], ['B', ' CG1', 224.946, 286.427, 248.439], ['B', ' CG2', 223.959, 288.687, 248.181]]
[['B', ' N ', 221.994, 288.398, 250.973], ['B', ' CA ', 221.202, 289.451, 251.596], ['B', ' C ', 222.103, 290.657, 251.824], ['B', ' O ', 223.011, 290.607, 252.658], ['B', ' CB ', 220.583, 288.96, 252.898], ['B', ' CG2', 219.425, 289.851, 253.29], ['B', ' OG1', 220.092, 287.628, 252.715]]
[['B', ' N ', 221.86, 291.736, 251.081], ['B', ' CA ', 222.68, 292.95, 251.141], ['B', ' C ', 222.169, 293.91, 252.205], ['B', ' O ', 221.41, 294.841, 251.935], ['B', ' CB ', 222.781, 293.577, 249.756], ['B', ' CG ', 223.589, 294.822, 249.679], ['B', ' CD1', 224.911, 294.951, 249.947], ['B', ' CD2', 223.209, 296.037, 249.014], ['B', ' CE2', 224.318, 296.903, 249.058], ['B', ' CE3', 222.023, 296.496, 248.437], ['B', ' NE1', 225.341, 296.221, 249.655], ['B', ' CZ2', 224.275, 298.201, 248.556], ['B', ' CZ3', 221.983, 297.79, 247.936], ['B', ' CH2', 223.1, 298.625, 248.003]]
[['B', ' N ', 222.655, 293.688, 253.428], ['B', ' CA ', 222.242, 294.406, 254.63], ['B', ' C ', 222.663, 295.863, 254.521], ['B', ' O ', 223.836, 296.194, 254.678], ['B', ' CB ', 222.874, 293.776, 255.863], ['B', ' CG ', 222.253, 292.482, 256.286], ['B', ' CD1', 222.271, 291.386, 255.46], ['B', ' CD2', 221.68, 292.354, 257.534], ['B', ' CE1', 221.72, 290.192, 255.866], ['B', ' CE2', 221.127, 291.16, 257.934], ['B', ' CZ ', 221.147, 290.082, 257.1]]
[['B', ' N ', 221.699, 296.744, 254.287], ['B', ' CA ', 221.981, 298.163, 254.148], ['B', ' C ', 222.271, 298.778, 255.507], ['B', ' O ', 221.549, 298.537, 256.477], ['B', ' CB ', 220.794, 298.875, 253.512], ['B', ' CG ', 220.397, 298.319, 252.183], ['B', ' CD2', 220.478, 298.839, 250.937], ['B', ' ND1', 219.791, 297.089, 252.046], ['B', ' CE1', 219.538, 296.864, 250.77], ['B', ' NE2', 219.933, 297.916, 250.078]]
[['B', ' N ', 223.324, 299.587, 255.569], ['B', ' CA ', 223.686, 300.285, 256.794], ['B', ' C ', 222.784, 301.508, 256.959], ['B', ' O ', 221.806, 301.692, 256.229], ['B', ' CB ', 225.165, 300.658, 256.772]]
[['B', ' N ', 223.102, 302.358, 257.928], ['B', ' CA ', 222.339, 303.58, 258.154], ['B', ' C ', 223.217, 304.629, 258.823], ['B', ' O ', 224.422, 304.685, 258.581], ['B', ' CB ', 221.078, 303.305, 258.99], ['B', ' CG1', 220.148, 304.523, 258.973], ['B', ' CG2', 221.453, 302.924, 260.409], ['B', ' CD1', 219.563, 304.829, 257.613]]
[['B', ' N ', 223.072, 298.759, 264.726], ['B', ' CA ', 222.179, 298.765, 263.573], ['B', ' C ', 222.442, 297.556, 262.679], ['B', ' O ', 222.474, 297.666, 261.448], ['B', ' CB ', 222.336, 300.063, 262.783], ['B', ' CG ', 221.863, 301.272, 263.56], ['B', ' OD1', 220.909, 301.132, 264.352], ['B', ' OD2', 222.454, 302.359, 263.392]]
[['B', ' N ', 222.638, 296.405, 263.317], ['B', ' CA ', 222.856, 295.131, 262.654], ['B', ' C ', 222.182, 294.012, 263.431], ['B', ' O ', 222.045, 294.095, 264.655], ['B', ' CB ', 224.353, 294.824, 262.527], ['B', ' CG ', 225.087, 294.97, 263.841], ['B', ' ND2', 226.385, 294.716, 263.822], ['B', ' OD1', 224.492, 295.302, 264.863]]
[['B', ' N ', 221.731, 292.969, 262.746], ['B', ' CA ', 221.256, 291.768, 263.431], ['B', ' C ', 222.337, 290.696, 263.503], ['B', ' O ', 223.262, 290.649, 262.692], ['B', ' CB ', 220.099, 291.314, 262.539], ['B', ' CG ', 220.555, 291.681, 261.19], ['B', ' CD ', 221.373, 292.95, 261.32]]
[['B', ' N ', 222.189, 289.818, 264.492], ['B', ' CA ', 223.04, 288.64, 264.596], ['B', ' C ', 222.63, 287.67, 263.498], ['B', ' O ', 221.546, 287.793, 262.92], ['B', ' CB ', 222.951, 287.988, 265.986], ['B', ' CG1', 223.473, 288.938, 267.048], ['B', ' CG2', 221.519, 287.587, 266.281]]
[['B', ' N ', 223.494, 286.71, 263.196], ['B', ' CA ', 223.334, 285.847, 262.042], ['B', ' C ', 223.7, 284.428, 262.442], ['B', ' O ', 224.502, 284.232, 263.361], ['B', ' CB ', 224.239, 286.316, 260.893], ['B', ' CG ', 223.898, 287.688, 260.301], ['B', ' CD1', 224.922, 288.13, 259.278], ['B', ' CD2', 222.519, 287.674, 259.68]]
[['B', ' N ', 223.133, 283.427, 261.786], ['B', ' CA ', 223.521, 282.039, 262.054], ['B', ' C ', 224.781, 281.657, 261.278], ['B', ' O ', 225.29, 282.402, 260.446], ['B', ' CB ', 222.302, 281.241, 261.592], ['B', ' CG ', 221.695, 282.078, 260.53], ['B', ' CD ', 221.966, 283.514, 260.893]]
[['B', ' N ', 225.288, 280.462, 261.586], ['B', ' CA ', 226.563, 279.995, 261.044], ['B', ' C ', 226.473, 278.469, 261.036], ['B', ' O ', 226.811, 277.825, 262.033], ['B', ' CB ', 227.713, 280.498, 261.907], ['B', ' CG ', 229.09, 280.282, 261.328], ['B', ' CD1', 229.597, 279.013, 261.127], ['B', ' CD2', 229.901, 281.366, 261.046], ['B', ' CE1', 230.862, 278.835, 260.622], ['B', ' CE2', 231.165, 281.19, 260.542], ['B', ' CZ ', 231.644, 279.925, 260.329]]
[['B', ' N ', 226.034, 277.903, 259.915], ['B', ' CA ', 225.7, 276.484, 259.866], ['B', ' C ', 226.926, 275.626, 259.584], ['B', ' O ', 227.275, 274.748, 260.378], ['B', ' CB ', 224.616, 276.24, 258.81], ['B', ' CG ', 223.925, 274.906, 258.986], ['B', ' ND2', 224.436, 273.883, 258.315], ['B', ' OD1', 222.947, 274.795, 259.724]]
[['B', ' N ', 227.584, 275.861, 258.455], ['B', ' CA ', 228.86, 275.222, 258.164], ['B', ' C ', 229.804, 276.164, 257.427], ['B', ' O ', 230.905, 275.748, 257.052], ['B', ' CB ', 228.642, 273.925, 257.369], ['B', ' CG ', 227.856, 274.144, 256.088], ['B', ' OD1', 227.401, 275.28, 255.851], ['B', ' OD2', 227.693, 273.178, 255.314]]
[['B', ' N ', 229.413, 277.415, 257.228], ['B', ' CA ', 230.233, 278.398, 256.563], ['B', ' C ', 229.427, 279.653, 256.328], ['B', ' O ', 228.203, 279.627, 256.465]]
[['B', ' N ', 230.085, 280.756, 255.995], ['B', ' CA ', 229.399, 282.0, 255.68], ['B', ' C ', 230.332, 282.854, 254.84], ['B', ' O ', 231.55, 282.843, 255.036], ['B', ' CB ', 228.948, 282.74, 256.953], ['B', ' CG1', 230.14, 283.184, 257.76], ['B', ' CG2', 228.063, 283.911, 256.605]]
[['B', ' N ', 229.761, 283.579, 253.892], ['B', ' CA ', 230.51, 284.351, 252.913], ['B', ' C ', 230.198, 285.825, 253.119], ['B', ' O ', 229.059, 286.252, 252.918], ['B', ' CB ', 230.141, 283.893, 251.504], ['B', ' CG ', 230.482, 284.863, 250.411], ['B', ' CD1', 231.742, 284.884, 249.86], ['B', ' CD2', 229.538, 285.746, 249.92], ['B', ' CE1', 232.06, 285.757, 248.866], ['B', ' CE2', 229.849, 286.627, 248.92], ['B', ' CZ ', 231.114, 286.629, 248.398], ['B', ' OH ', 231.437, 287.506, 247.395]]
[['B', ' N ', 231.2, 286.597, 253.521], ['B', ' CA ', 231.016, 288.0, 253.867], ['B', ' C ', 231.822, 288.858, 252.904], ['B', ' O ', 233.047, 288.735, 252.833], ['B', ' CB ', 231.435, 288.248, 255.315], ['B', ' CG ', 231.237, 289.662, 255.789], ['B', ' CD1', 232.173, 290.639, 255.52], ['B', ' CD2', 230.137, 289.999, 256.548], ['B', ' CE1', 232.0, 291.918, 255.972], ['B', ' CE2', 229.967, 291.281, 257.001], ['B', ' CZ ', 230.899, 292.24, 256.712]]
[['B', ' N ', 231.138, 289.735, 252.182], ['B', ' CA ', 231.758, 290.601, 251.195], ['B', ' C ', 231.305, 292.029, 251.43], ['B', ' O ', 230.147, 292.267, 251.775], ['B', ' CB ', 231.393, 290.168, 249.78]]
[['B', ' N ', 232.209, 292.981, 251.23], ['B', ' CA ', 231.899, 294.378, 251.474], ['B', ' C ', 232.347, 295.242, 250.307], ['B', ' O ', 233.307, 294.921, 249.602], ['B', ' CB ', 232.563, 294.884, 252.747], ['B', ' OG ', 232.279, 294.03, 253.829]]
[['B', ' N ', 231.623, 296.336, 250.105], ['B', ' CA ', 232.066, 297.451, 249.28], ['B', ' C ', 232.226, 298.629, 250.225], ['B', ' O ', 231.232, 299.195, 250.69], ['B', ' CB ', 231.069, 297.763, 248.174], ['B', ' CG2', 230.588, 296.48, 247.534], ['B', ' OG1', 229.954, 298.47, 248.731]]
[['B', ' N ', 233.469, 299.0, 250.5], ['B', ' CA ', 233.802, 299.775, 251.684], ['B', ' C ', 234.466, 301.103, 251.348], ['B', ' O ', 235.311, 301.188, 250.451], ['B', ' CB ', 234.673, 298.92, 252.623], ['B', ' CG ', 235.868, 298.214, 251.974], ['B', ' CD ', 237.153, 299.016, 251.99], ['B', ' OE1', 237.261, 299.965, 252.784], ['B', ' OE2', 238.077, 298.671, 251.227]]
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[['B', ' N ', 236.933, 303.898, 244.888], ['B', ' CA ', 235.797, 302.986, 244.886], ['B', ' C ', 236.243, 301.578, 244.505], ['B', ' O ', 235.471, 300.624, 244.592], ['B', ' CB ', 234.716, 303.48, 243.923], ['B', ' CG ', 233.378, 302.828, 244.121], ['B', ' CD1', 232.534, 303.245, 245.136], ['B', ' CD2', 232.963, 301.797, 243.295], ['B', ' CE1', 231.301, 302.648, 245.321], ['B', ' CE2', 231.733, 301.195, 243.475], ['B', ' CZ ', 230.9, 301.622, 244.489]]
[['B', ' N ', 237.504, 301.453, 244.094], ['B', ' CA ', 238.025, 300.174, 243.628], ['B', ' C ', 238.509, 299.316, 244.789], ['B', ' O ', 239.627, 298.792, 244.757], ['B', ' CB ', 239.164, 300.396, 242.63], ['B', ' CG ', 238.724, 300.485, 241.178], ['B', ' CD ', 238.057, 301.816, 240.878], ['B', ' CE ', 239.006, 302.981, 241.092], ['B', ' NZ ', 238.403, 304.267, 240.644]]
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[['B', ' N ', 236.936, 296.099, 246.985], ['B', ' CA ', 235.875, 295.106, 247.116], ['B', ' C ', 236.387, 294.044, 248.082], ['B', ' O ', 236.988, 293.057, 247.654], ['B', ' CB ', 235.519, 294.497, 245.76], ['B', ' CG ', 234.658, 295.262, 244.753], ['B', ' CD1', 235.418, 296.426, 244.132], ['B', ' CD2', 234.15, 294.327, 243.676]]
[['B', ' N ', 236.164, 294.246, 249.375], ['B', ' CA ', 236.498, 293.208, 250.338], ['B', ' C ', 235.718, 291.946, 249.998], ['B', ' O ', 234.565, 292.004, 249.568], ['B', ' CB ', 236.175, 293.671, 251.756], ['B', ' CG ', 236.753, 292.802, 252.844], ['B', ' CD ', 238.247, 293.003, 252.893], ['B', ' NE ', 238.598, 294.409, 253.085], ['B', ' CZ ', 238.92, 294.952, 254.253], ['B', ' NH1', 238.956, 294.205, 255.348], ['B', ' NH2', 239.221, 296.24, 254.322]]
[['B', ' N ', 236.359, 290.793, 250.16], ['B', ' CA ', 235.804, 289.566, 249.599], ['B', ' C ', 236.316, 288.402, 250.436], ['B', ' O ', 237.434, 287.933, 250.21], ['B', ' CB ', 236.231, 289.445, 248.139], ['B', ' CG ', 235.712, 288.26, 247.338], ['B', ' CD ', 234.206, 288.286, 247.131], ['B', ' OE1', 233.612, 289.381, 247.157], ['B', ' OE2', 233.621, 287.216, 246.881]]
[['B', ' N ', 235.514, 287.93, 251.389], ['B', ' CA ', 235.969, 286.961, 252.378], ['B', ' C ', 235.248, 285.63, 252.233], ['B', ' O ', 234.305, 285.482, 251.457], ['B', ' CB ', 235.749, 287.468, 253.807], ['B', ' CG ', 236.817, 288.38, 254.309], ['B', ' CD1', 237.81, 288.839, 253.475], ['B', ' CD2', 236.827, 288.776, 255.629], ['B', ' CE1', 238.788, 289.681, 253.949], ['B', ' CE2', 237.802, 289.617, 256.103], ['B', ' CZ ', 238.783, 290.069, 255.264]]
[['B', ' N ', 235.715, 284.668, 253.027], ['B', ' CA ', 235.11, 283.353, 253.231], ['B', ' C ', 235.451, 282.919, 254.646], ['B', ' O ', 236.565, 283.16, 255.112], ['B', ' CB ', 235.62, 282.302, 252.225], ['B', ' CG1', 235.176, 280.925, 252.631], ['B', ' CG2', 235.112, 282.59, 250.84]]
[['B', ' N ', 234.506, 282.302, 255.346], ['B', ' CA ', 234.755, 281.777, 256.682], ['B', ' C ', 234.268, 280.341, 256.772], ['B', ' O ', 233.29, 279.969, 256.123], ['B', ' CB ', 234.073, 282.618, 257.758], ['B', ' CG ', 234.643, 283.998, 257.906], ['B', ' CD1', 234.535, 284.928, 256.891], ['B', ' CD2', 235.26, 284.374, 259.077], ['B', ' CE1', 235.049, 286.189, 257.032], ['B', ' CE2', 235.772, 285.637, 259.223], ['B', ' CZ ', 235.664, 286.547, 258.197]]
[['B', ' N ', 234.952, 279.531, 257.572], ['B', ' CA ', 234.603, 278.124, 257.673], ['B', ' C ', 235.133, 277.572, 258.989], ['B', ' O ', 236.037, 278.142, 259.602], ['B', ' CB ', 235.153, 277.338, 256.476], ['B', ' CG ', 234.361, 276.094, 256.137], ['B', ' CD ', 234.968, 275.349, 254.968], ['B', ' CE ', 236.065, 274.414, 255.422], ['B', ' NZ ', 236.51, 273.518, 254.322]]
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[['B', ' N ', 235.593, 273.546, 260.332], ['B', ' CA ', 235.426, 272.101, 260.254], ['B', ' C ', 236.584, 271.43, 260.975], ['B', ' O ', 237.715, 271.928, 260.949], ['B', ' CB ', 235.343, 271.608, 258.795], ['B', ' CG1', 236.623, 271.958, 258.039], ['B', ' CG2', 234.128, 272.191, 258.098], ['B', ' CD1', 236.93, 271.011, 256.895]]
[['B', ' N ', 236.289, 270.318, 261.65], ['B', ' CA ', 237.248, 269.415, 262.28], ['B', ' C ', 237.916, 270.095, 263.478], ['B', ' O ', 238.731, 269.476, 264.163], ['B', ' CB ', 238.303, 268.927, 261.268], ['B', ' CG ', 239.194, 267.801, 261.794], ['B', ' OD1', 239.057, 267.365, 262.954], ['B', ' OD2', 240.057, 267.343, 261.018]]
[['B', ' N ', 237.578, 271.345, 263.768], ['B', ' CA ', 238.212, 272.082, 264.843], ['B', ' C ', 239.176, 273.152, 264.384], ['B', ' O ', 239.829, 273.775, 265.232]]
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[['B', ' N ', 239.361, 276.749, 262.48], ['B', ' CA ', 238.607, 277.87, 261.939], ['B', ' C ', 239.402, 278.477, 260.792], ['B', ' O ', 240.504, 278.996, 261.004], ['B', ' CB ', 238.331, 278.909, 263.022], ['B', ' CG ', 237.788, 280.201, 262.497], ['B', ' CD1', 236.444, 280.337, 262.226], ['B', ' CD2', 238.622, 281.282, 262.283], ['B', ' CE1', 235.946, 281.52, 261.748], ['B', ' CE2', 238.128, 282.467, 261.803], ['B', ' CZ ', 236.789, 282.587, 261.536]]
[['B', ' N ', 238.85, 278.412, 259.583], ['B', ' CA ', 239.543, 278.891, 258.4], ['B', ' C ', 239.184, 280.345, 258.114], ['B', ' O ', 238.424, 280.983, 258.84], ['B', ' CB ', 239.218, 278.013, 257.196], ['B', ' CG ', 240.12, 276.815, 257.04], ['B', ' CD ', 239.729, 275.701, 257.972], ['B', ' CE ', 240.024, 274.362, 257.334], ['B', ' NZ ', 239.64, 273.23, 258.215]]
[['B', ' N ', 239.758, 280.876, 257.04], ['B', ' CA ', 239.469, 282.219, 256.563], ['B', ' C ', 240.077, 282.321, 255.171], ['B', ' O ', 241.05, 281.624, 254.867], ['B', ' CB ', 240.028, 283.284, 257.523], ['B', ' CG1', 239.383, 284.646, 257.281], ['B', ' CG2', 241.513, 283.407, 257.364], ['B', ' CD1', 239.637, 285.64, 258.399]]
[['B', ' N ', 239.503, 283.149, 254.302], ['B', ' CA ', 240.013, 283.296, 252.945], ['B', ' C ', 239.749, 284.718, 252.482], ['B', ' O ', 238.833, 285.373, 252.982], ['B', ' CB ', 239.36, 282.294, 251.989], ['B', ' CG ', 239.681, 280.843, 252.283], ['B', ' CD1', 240.805, 280.24, 251.751], ['B', ' CD2', 238.855, 280.077, 253.086], ['B', ' CE1', 241.097, 278.923, 252.015], ['B', ' CE2', 239.143, 278.759, 253.353], ['B', ' CZ ', 240.265, 278.19, 252.817], ['B', ' OH ', 240.557, 276.876, 253.075]]
[['B', ' N ', 240.549, 285.201, 251.53], ['B', ' CA ', 240.389, 286.598, 251.138], ['B', ' C ', 241.117, 286.907, 249.844], ['B', ' O ', 242.103, 286.256, 249.496], ['B', ' CB ', 240.904, 287.543, 252.222], ['B', ' OG ', 240.926, 288.876, 251.743]]
[['B', ' N ', 240.624, 287.938, 249.157], ['B', ' CA ', 241.302, 288.586, 248.042], ['B', ' C ', 240.586, 289.9, 247.76], ['B', ' O ', 239.356, 289.959, 247.798], ['B', ' CB ', 241.319, 287.72, 246.777], ['B', ' CG ', 242.08, 288.359, 245.622], ['B', ' CD ', 241.818, 287.653, 244.305], ['B', ' CE ', 242.5, 288.334, 243.124], ['B', ' NZ ', 243.96, 288.054, 243.046]]
[['B', ' N ', 241.357, 290.948, 247.489], ['B', ' CA ', 240.82, 292.251, 247.118], ['B', ' C ', 241.085, 292.456, 245.635], ['B', ' O ', 242.221, 292.285, 245.181], ['B', ' CB ', 241.462, 293.378, 247.926], ['B', ' CG ', 241.49, 293.14, 249.404], ['B', ' CD2', 242.016, 293.862, 250.421], ['B', ' ND1', 240.919, 292.027, 249.981], ['B', ' CE1', 241.086, 292.077, 251.29], ['B', ' NE2', 241.749, 293.18, 251.583]]
[['B', ' N ', 240.054, 292.826, 244.886], ['B', ' CA ', 240.162, 292.954, 243.434], ['B', ' C ', 239.4, 294.172, 242.934], ['B', ' O ', 238.183, 294.286, 243.189], ['B', ' CB ', 239.651, 291.691, 242.75], ['B', ' CG2', 239.902, 291.767, 241.261], ['B', ' OG1', 240.345, 290.557, 243.277]]
[['B', ' N ', 240.051, 295.088, 242.229], ['B', ' CA ', 239.355, 296.254, 241.669], ['B', ' C ', 238.713, 295.923, 240.331], ['B', ' O ', 239.401, 295.644, 239.344], ['B', ' CB ', 240.48, 297.292, 241.525], ['B', ' CG ', 241.784, 296.559, 241.813], ['B', ' CD ', 241.489, 295.103, 241.929]]
[['B', ' N ', 237.381, 295.97, 240.29], ['B', ' CA ', 236.591, 295.652, 239.108], ['B', ' C ', 235.666, 296.84, 238.837], ['B', ' O ', 235.754, 297.873, 239.498], ['B', ' CB ', 235.808, 294.327, 239.275], ['B', ' CG1', 236.747, 293.212, 239.721], ['B', ' CG2', 235.24, 293.819, 237.953], ['B', ' CD1', 237.773, 292.838, 238.667]]
[['B', ' N ', 234.792, 296.695, 237.838], ['B', ' CA ', 233.872, 297.743, 237.413], ['B', ' C ', 233.072, 298.3, 238.584], ['B', ' O ', 232.947, 297.654, 239.63], ['B', ' CB ', 232.926, 297.215, 236.331], ['B', ' CG ', 232.296, 298.327, 235.512], ['B', ' ND2', 231.468, 297.951, 234.544], ['B', ' OD1', 232.549, 299.508, 235.747]]
[['B', ' N ', 232.517, 299.496, 238.411], ['B', ' CA ', 232.059, 300.285, 239.544], ['B', ' C ', 230.563, 300.555, 239.482], ['B', ' O ', 230.136, 301.693, 239.702], ['B', ' CB ', 232.813, 301.617, 239.587], ['B', ' CG ', 234.272, 301.65, 240.046], ['B', ' CD1', 235.192, 301.049, 238.993], ['B', ' CD2', 234.685, 303.078, 240.358]]
[['B', ' N ', 229.748, 299.544, 239.183], ['B', ' CA ', 228.337, 299.845, 238.983], ['B', ' C ', 227.64, 299.993, 240.329], ['B', ' O ', 227.352, 301.115, 240.758], ['B', ' CB ', 227.66, 298.757, 238.132], ['B', ' CG1', 226.203, 299.109, 237.882], ['B', ' CG2', 228.407, 298.572, 236.821]]
[['B', ' N ', 227.369, 298.88, 241.015], ['B', ' CA ', 226.998, 298.967, 242.423], ['B', ' C ', 227.559, 297.828, 243.269], ['B', ' O ', 228.028, 298.048, 244.389], ['B', ' CB ', 225.475, 299.03, 242.563], ['B', ' CG ', 224.992, 299.274, 243.987], ['B', ' CD ', 225.398, 300.646, 244.502], ['B', ' NE ', 225.02, 301.723, 243.592], ['B', ' CZ ', 225.888, 302.476, 242.925], ['B', ' NH1', 227.191, 302.27, 243.061], ['B', ' NH2', 225.456, 303.435, 242.118]]
[['B', ' N ', 227.533, 296.612, 242.729], ['B', ' CA ', 227.585, 295.385, 243.512], ['B', ' C ', 228.695, 294.462, 243.028], ['B', ' O ', 229.578, 294.856, 242.259], ['B', ' CB ', 226.236, 294.663, 243.461], ['B', ' CG ', 225.074, 295.566, 243.79], ['B', ' OD1', 225.141, 296.271, 244.815], ['B', ' OD2', 224.091, 295.572, 243.023]]
[['B', ' N ', 228.65, 293.223, 243.508], ['B', ' CA ', 229.55, 292.152, 243.112], ['B', ' C ', 229.499, 291.987, 241.601], ['B', ' O ', 228.515, 291.466, 241.067], ['B', ' CB ', 229.146, 290.852, 243.803], ['B', ' CG ', 228.908, 290.935, 245.315], ['B', ' CD1', 228.222, 289.68, 245.839], ['B', ' CD2', 230.218, 291.18, 246.052]]
[['B', ' N ', 230.531, 292.408, 240.882], ['B', ' CA ', 230.46, 292.389, 239.421], ['B', ' C ', 230.524, 290.972, 238.884], ['B', ' O ', 231.063, 290.063, 239.52], ['B', ' CB ', 231.682, 293.209, 238.986], ['B', ' CG ', 232.455, 293.521, 240.245], ['B', ' CD ', 231.878, 292.729, 241.367]]
[['B', ' N ', 229.959, 290.791, 237.692], ['B', ' CA ', 229.868, 289.47, 237.074], ['B', ' C ', 231.185, 289.152, 236.364], ['B', ' O ', 231.284, 289.089, 235.137], ['B', ' CB ', 228.675, 289.408, 236.129], ['B', ' CG ', 228.237, 287.998, 235.773], ['B', ' CD ', 226.988, 287.972, 234.911], ['B', ' NE2', 226.601, 286.782, 234.466], ['B', ' OE1', 226.38, 289.01, 234.647]]
[['B', ' N ', 232.216, 288.962, 237.183], ['B', ' CA ', 233.529, 288.546, 236.747], ['B', ' C ', 233.953, 287.283, 237.476], ['B', ' O ', 233.126, 286.532, 238.0]]
[['B', ' N ', 235.264, 287.052, 237.503], ['B', ' CA ', 235.808, 285.902, 238.206], ['B', ' C ', 237.106, 286.275, 238.904], ['B', ' O ', 237.869, 287.117, 238.426], ['B', ' CB ', 236.056, 284.72, 237.27], ['B', ' CG ', 236.182, 283.418, 237.987], ['B', ' CD1', 235.068, 282.792, 238.513], ['B', ' CD2', 237.42, 282.841, 238.178], ['B', ' CE1', 235.185, 281.6, 239.191], ['B', ' CE2', 237.542, 281.648, 238.855], ['B', ' CZ ', 236.423, 281.029, 239.36]]
[['B', ' N ', 237.346, 285.626, 240.042], ['B', ' CA ', 238.562, 285.796, 240.823], ['B', ' C ', 238.577, 284.749, 241.923], ['B', ' O ', 237.534, 284.441, 242.503], ['B', ' CB ', 238.647, 287.197, 241.433], ['B', ' OG ', 237.982, 287.237, 242.682]]
[['B', ' N ', 239.759, 284.218, 242.21], ['B', ' CA ', 239.934, 283.164, 243.196], ['B', ' C ', 240.298, 283.749, 244.553], ['B', ' O ', 240.72, 284.898, 244.667], ['B', ' CB ', 241.014, 282.183, 242.743]]
[['B', ' N ', 240.13, 282.941, 245.59], ['B', ' CA ', 240.394, 283.367, 246.955], ['B', ' C ', 241.417, 282.45, 247.609], ['B', ' O ', 241.319, 281.224, 247.508], ['B', ' CB ', 239.107, 283.388, 247.775], ['B', ' CG ', 238.389, 284.732, 247.86], ['B', ' CD1', 237.947, 285.211, 246.501], ['B', ' CD2', 237.201, 284.609, 248.776]]
[['B', ' N ', 242.387, 283.055, 248.305], ['B', ' CA ', 243.536, 282.414, 248.914], ['B', ' C ', 243.441, 282.442, 250.433], ['B', ' O ', 242.92, 283.407, 251.0], ['B', ' CB ', 244.813, 283.129, 248.479], ['B', ' CG ', 244.807, 283.51, 247.017], ['B', ' CD ', 245.796, 284.607, 246.696], ['B', ' OE1', 246.369, 285.183, 247.642], ['B', ' OE2', 246.001, 284.895, 245.499]]
[['B', ' N ', 243.928, 281.412, 251.117], ['B', ' CA ', 243.878, 281.406, 252.583], ['B', ' C ', 244.801, 282.44, 253.206], ['B', ' O ', 245.804, 282.848, 252.62], ['B', ' CB ', 244.319, 279.984, 252.951], ['B', ' CG ', 244.958, 279.436, 251.731], ['B', ' CD ', 244.322, 280.107, 250.569]]
[['B', ' N ', 244.429, 282.887, 254.407], ['B', ' CA ', 245.284, 283.759, 255.207], ['B', ' C ', 245.662, 283.152, 256.551], ['B', ' O ', 246.853, 282.994, 256.84], ['B', ' CB ', 244.599, 285.11, 255.439], ['B', ' CG ', 243.796, 285.737, 254.311], ['B', ' CD1', 243.291, 287.083, 254.766], ['B', ' CD2', 244.669, 285.885, 253.084]]
[['B', ' N ', 244.682, 282.8, 257.381], ['B', ' CA ', 244.886, 282.611, 258.813], ['B', ' C ', 244.143, 281.356, 259.252], ['B', ' O ', 242.917, 281.379, 259.402], ['B', ' CB ', 244.402, 283.822, 259.625], ['B', ' CG1', 244.445, 283.522, 261.103], ['B', ' CG2', 245.228, 285.052, 259.304]]
[['B', ' N ', 244.874, 280.272, 259.476], ['B', ' CA ', 244.31, 279.05, 260.031], ['B', ' C ', 244.522, 279.066, 261.536], ['B', ' O ', 245.637, 279.313, 262.007], ['B', ' CB ', 244.957, 277.811, 259.409], ['B', ' CG ', 244.271, 276.52, 259.82], ['B', ' OD1', 243.985, 276.333, 261.021], ['B', ' OD2', 244.011, 275.685, 258.932]]
[['B', ' N ', 243.458, 278.799, 262.287], ['B', ' CA ', 243.531, 278.836, 263.733], ['B', ' C ', 243.125, 277.495, 264.328], ['B', ' O ', 242.054, 276.969, 263.994], ['B', ' CB ', 242.639, 279.941, 264.298], ['B', ' CG ', 243.099, 281.371, 264.031], ['B', ' CD1', 242.47, 282.288, 265.047], ['B', ' CD2', 244.608, 281.474, 264.09]]
[['B', ' N ', 243.939, 276.918, 265.201], ['B', ' CA ', 243.545, 275.684, 265.892], ['B', ' C ', 242.632, 275.943, 267.08], ['B', ' O ', 242.551, 275.109, 267.987], ['B', ' CB ', 244.888, 275.086, 266.339], ['B', ' CG ', 245.936, 275.812, 265.531], ['B', ' CD ', 245.379, 277.183, 265.34]]
[['B', ' N ', 241.967, 277.103, 267.098], ['B', ' CA ', 241.17, 277.508, 268.259], ['B', ' C ', 240.143, 276.437, 268.619], ['B', ' O ', 239.98, 276.079, 269.791], ['B', ' CB ', 240.499, 278.869, 267.999], ['B', ' CG1', 239.692, 278.847, 266.702], ['B', ' CG2', 241.534, 279.956, 267.92], ['B', ' CD1', 238.859, 280.084, 266.487]]
[['B', ' N ', 239.439, 275.912, 267.62], ['B', ' CA ', 238.519, 274.812, 267.83], ['B', ' C ', 237.427, 275.057, 268.847], ['B', ' O ', 237.409, 274.422, 269.905]]
[['B', ' N ', 236.507, 275.969, 268.547], ['B', ' CA ', 235.361, 276.218, 269.407], ['B', ' C ', 234.095, 275.807, 268.668], ['B', ' O ', 234.107, 275.527, 267.467], ['B', ' CB ', 235.281, 277.686, 269.865], ['B', ' CG1', 235.053, 278.606, 268.673], ['B', ' CG2', 236.552, 278.078, 270.589], ['B', ' CD1', 234.699, 280.012, 269.063]]
[['B', ' N ', 232.993, 275.758, 269.41], ['B', ' CA ', 231.707, 275.303, 268.886], ['B', ' C ', 230.893, 276.535, 268.509], ['B', ' O ', 230.243, 277.147, 269.36], ['B', ' CB ', 231.0, 274.434, 269.921], ['B', ' CG ', 229.655, 273.918, 269.447], ['B', ' ND2', 229.528, 272.6, 269.362], ['B', ' OD1', 228.74, 274.69, 269.167]]
[['B', ' N ', 230.92, 276.899, 267.229], ['B', ' CA ', 230.281, 278.12, 266.749], ['B', ' C ', 228.911, 277.787, 266.183], ['B', ' O ', 228.772, 276.866, 265.37], ['B', ' CB ', 231.143, 278.816, 265.685], ['B', ' CG1', 232.521, 279.156, 266.236], ['B', ' CG2', 230.459, 280.079, 265.199], ['B', ' CD1', 233.448, 279.741, 265.2]]
[['B', ' N ', 227.893, 278.524, 266.625], ['B', ' CA ', 226.576, 278.504, 265.997], ['B', ' C ', 225.972, 279.905, 265.997], ['B', ' O ', 224.796, 280.095, 266.323], ['B', ' CB ', 225.649, 277.499, 266.679], ['B', ' CG2', 224.486, 277.138, 265.766], ['B', ' OG1', 226.377, 276.298, 266.96]]
[['B', ' N ', 226.772, 280.905, 265.654], ['B', ' CA ', 226.287, 282.273, 265.478], ['B', ' C ', 227.366, 283.046, 264.725], ['B', ' O ', 228.389, 282.477, 264.325], ['B', ' CB ', 225.917, 282.916, 266.816], ['B', ' CG ', 224.896, 284.04, 266.69], ['B', ' CD ', 224.462, 284.59, 268.041], ['B', ' NE ', 223.599, 283.669, 268.774], ['B', ' CZ ', 222.272, 283.679, 268.71], ['B', ' NH1', 221.649, 284.561, 267.945], ['B', ' NH2', 221.567, 282.804, 269.409]]
[['B', ' N ', 227.142, 284.345, 264.535], ['B', ' CA ', 227.909, 285.184, 263.624], ['B', ' C ', 227.464, 286.62, 263.84], ['B', ' O ', 226.311, 286.864, 264.193], ['B', ' CB ', 227.676, 284.742, 262.172], ['B', ' CG ', 228.4, 285.56, 261.142], ['B', ' CD1', 229.759, 285.428, 260.953], ['B', ' CD2', 227.701, 286.422, 260.315], ['B', ' CE1', 230.408, 286.172, 259.985], ['B', ' CE2', 228.344, 287.162, 259.351], ['B', ' CZ ', 229.697, 287.038, 259.185]]
[['B', ' N ', 228.374, 287.564, 263.641], ['B', ' CA ', 228.045, 288.958, 263.923], ['B', ' C ', 229.096, 289.833, 263.246], ['B', ' O ', 230.005, 289.333, 262.577], ['B', ' CB ', 227.968, 289.174, 265.436], ['B', ' CG ', 227.229, 290.417, 265.898], ['B', ' CD ', 228.113, 291.632, 266.018], ['B', ' NE2', 227.531, 292.804, 265.801], ['B', ' OE1', 229.31, 291.524, 266.277]]
[['B', ' N ', 228.955, 291.148, 263.4], ['B', ' CA ', 229.935, 292.097, 262.893], ['B', ' C ', 230.11, 293.264, 263.863], ['B', ' O ', 229.143, 293.752, 264.451], ['B', ' CB ', 229.542, 292.596, 261.495], ['B', ' CG2', 228.134, 293.14, 261.485], ['B', ' OG1', 230.453, 293.613, 261.071]]
[['B', ' N ', 231.356, 293.708, 264.017], ['B', ' CA ', 231.748, 294.761, 264.956], ['B', ' C ', 232.233, 295.962, 264.145], ['B', ' O ', 233.417, 296.053, 263.808], ['B', ' CB ', 232.838, 294.247, 265.897], ['B', ' CG ', 233.138, 294.877, 267.26], ['B', ' CD1', 233.905, 293.882, 268.117], ['B', ' CD2', 233.92, 296.175, 267.13]]
[['B', ' N ', 231.337, 296.901, 263.855], ['B', ' CA ', 231.638, 297.995, 262.945], ['B', ' C ', 231.575, 299.325, 263.679], ['B', ' O ', 230.795, 299.498, 264.619], ['B', ' CB ', 230.663, 298.022, 261.772], ['B', ' CG ', 230.669, 296.818, 260.831], ['B', ' CD1', 230.175, 297.22, 259.447], ['B', ' CD2', 232.043, 296.188, 260.755]]
[['B', ' N ', 232.399, 300.269, 263.23], ['B', ' CA ', 232.414, 301.599, 263.82], ['B', ' C ', 231.117, 302.339, 263.504], ['B', ' O ', 230.369, 301.973, 262.594], ['B', ' CB ', 233.612, 302.4, 263.317]]
[['B', ' N ', 230.849, 303.389, 264.277], ['B', ' CA ', 229.608, 304.148, 264.143], ['B', ' C ', 229.878, 305.65, 264.224], ['B', ' O ', 229.182, 306.393, 264.917], ['B', ' CB ', 228.595, 303.721, 265.204], ['B', ' CG ', 227.122, 303.975, 264.888], ['B', ' CD1', 226.633, 302.996, 263.838], ['B', ' CD2', 226.273, 303.895, 266.142]]
[['B', ' N ', 230.904, 306.119, 263.518], ['B', ' CA ', 231.134, 307.56, 263.418], ['B', ' C ', 231.589, 307.937, 262.013], ['B', ' O ', 230.788, 308.384, 261.19], ['B', ' CB ', 232.162, 308.034, 264.455], ['B', ' CG ', 233.576, 308.06, 263.957], ['B', ' CD2', 234.342, 309.083, 263.51], ['B', ' ND1', 234.373, 306.936, 263.905], ['B', ' CE1', 235.564, 307.264, 263.435], ['B', ' NE2', 235.571, 308.562, 263.187]]
[['B', ' N ', 228.482, 300.558, 250.262], ['B', ' CA ', 228.127, 301.253, 251.494], ['B', ' C ', 227.567, 300.286, 252.535], ['B', ' O ', 227.038, 300.702, 253.566], ['B', ' CB ', 227.126, 302.352, 251.203]]
[['B', ' N ', 227.697, 298.994, 252.26], ['B', ' CA ', 227.118, 297.95, 253.094], ['B', ' C ', 227.876, 296.66, 252.824], ['B', ' O ', 228.976, 296.676, 252.262], ['B', ' CB ', 225.621, 297.808, 252.818]]
[['B', ' N ', 227.298, 295.534, 253.226], ['B', ' CA ', 227.958, 294.265, 252.963], ['B', ' C ', 227.0, 293.216, 252.423], ['B', ' O ', 225.79, 293.435, 252.378], ['B', ' CB ', 228.645, 293.76, 254.226], ['B', ' CG ', 227.798, 293.777, 255.475], ['B', ' CD1', 227.8, 294.872, 256.322], ['B', ' CD2', 227.028, 292.683, 255.825], ['B', ' CE1', 227.046, 294.881, 257.468], ['B', ' CE2', 226.269, 292.686, 256.971], ['B', ' CZ ', 226.282, 293.785, 257.786], ['B', ' OH ', 225.522, 293.784, 258.927]]
[['B', ' N ', 227.532, 292.072, 252.015], ['B', ' CA ', 226.737, 291.003, 251.424], ['B', ' C ', 226.999, 289.745, 252.227], ['B', ' O ', 228.137, 289.517, 252.641], ['B', ' CB ', 227.117, 290.781, 249.961], ['B', ' CG ', 227.12, 292.018, 249.09], ['B', ' CD1', 228.213, 292.867, 249.057], ['B', ' CD2', 226.018, 292.349, 248.322], ['B', ' CE1', 228.216, 293.992, 248.272], ['B', ' CE2', 226.024, 293.467, 247.521], ['B', ' CZ ', 227.12, 294.288, 247.514], ['B', ' OH ', 227.123, 295.411, 246.731]]
[['B', ' N ', 225.972, 288.934, 252.459], ['B', ' CA ', 226.127, 287.688, 253.203], ['B', ' C ', 225.471, 286.556, 252.43], ['B', ' O ', 224.263, 286.59, 252.169], ['B', ' CB ', 225.538, 287.789, 254.614], ['B', ' CG1', 225.62, 286.445, 255.292], ['B', ' CG2', 226.279, 288.832, 255.414]]
[['B', ' N ', 226.262, 285.548, 252.079], ['B', ' CA ', 225.761, 284.313, 251.527], ['B', ' C ', 225.759, 283.21, 252.56], ['B', ' O ', 225.76, 283.456, 253.77]]
[['B', ' N ', 225.767, 281.972, 252.077], ['B', ' CA ', 225.832, 280.81, 252.96], ['B', ' C ', 226.496, 279.677, 252.194], ['B', ' O ', 225.93, 279.179, 251.219], ['B', ' CB ', 224.445, 280.405, 253.442], ['B', ' CG ', 223.948, 281.217, 254.609], ['B', ' CD1', 224.322, 280.904, 255.904], ['B', ' CD2', 223.103, 282.298, 254.415], ['B', ' CE1', 223.872, 281.645, 256.969], ['B', ' CE2', 222.654, 283.045, 255.471], ['B', ' CZ ', 223.04, 282.715, 256.746], ['B', ' OH ', 222.587, 283.463, 257.802]]
[['B', ' N ', 227.686, 279.274, 252.632], ['B', ' CA ', 228.407, 278.205, 251.955], ['B', ' C ', 227.606, 276.914, 252.023], ['B', ' O ', 226.997, 276.598, 253.047], ['B', ' CB ', 229.784, 278.005, 252.59], ['B', ' CG ', 230.738, 279.196, 252.752], ['B', ' CD1', 232.167, 278.715, 252.88], ['B', ' CD2', 230.624, 280.17, 251.6]]
[['B', ' N ', 227.609, 276.161, 250.927], ['B', ' CA ', 226.752, 274.994, 250.804], ['B', ' C ', 227.547, 273.819, 250.255], ['B', ' O ', 228.437, 274.013, 249.414], ['B', ' CB ', 225.562, 275.295, 249.882], ['B', ' CG ', 224.36, 274.402, 250.075], ['B', ' CD ', 223.073, 275.091, 249.698], ['B', ' NE2', 222.356, 274.523, 248.74], ['B', ' OE1', 222.727, 276.126, 250.26]]
[['B', ' N ', 227.256, 272.597, 250.704], ['B', ' CA ', 227.994, 271.436, 250.194], ['B', ' C ', 227.66, 271.122, 248.746], ['B', ' O ', 226.558, 270.659, 248.439], ['B', ' CB ', 227.556, 270.303, 251.13], ['B', ' CG ', 226.258, 270.755, 251.686], ['B', ' CD ', 226.369, 272.234, 251.819]]
[['B', ' N ', 228.61, 271.365, 247.848], ['B', ' CA ', 228.42, 271.118, 246.43], ['B', ' C ', 229.701, 270.539, 245.858], ['B', ' O ', 230.747, 270.532, 246.507], ['B', ' CB ', 228.036, 272.398, 245.684], ['B', ' CG ', 226.632, 272.893, 245.979], ['B', ' CD ', 225.604, 272.187, 245.121], ['B', ' NE ', 224.4, 272.991, 244.945], ['B', ' CZ ', 224.32, 274.055, 244.153], ['B', ' NH1', 225.374, 274.45, 243.454], ['B', ' NH2', 223.181, 274.723, 244.055]]
[['B', ' N ', 229.608, 270.046, 244.628], ['B', ' CA ', 230.748, 269.508, 243.899], ['B', ' C ', 230.996, 270.37, 242.67], ['B', ' O ', 230.068, 270.654, 241.909], ['B', ' CB ', 230.516, 268.041, 243.52], ['B', ' CG2', 229.237, 267.863, 242.731], ['B', ' OG1', 231.63, 267.553, 242.768]]
[['B', ' N ', 232.235, 270.809, 242.496], ['B', ' CA ', 232.574, 271.779, 241.47], ['B', ' C ', 233.492, 271.152, 240.434], ['B', ' O ', 233.794, 269.959, 240.471], ['B', ' CB ', 233.246, 273.011, 242.081], ['B', ' CG ', 232.287, 274.09, 242.475], ['B', ' CD1', 231.188, 273.803, 243.26], ['B', ' CD2', 232.492, 275.394, 242.081], ['B', ' CE1', 230.305, 274.791, 243.627], ['B', ' CE2', 231.611, 276.384, 242.452], ['B', ' CZ ', 230.519, 276.08, 243.228]]
[['B', ' N ', 233.92, 271.977, 239.487], ['B', ' CA ', 234.94, 271.615, 238.51], ['B', ' C ', 235.852, 272.818, 238.343], ['B', ' O ', 235.451, 273.823, 237.75], ['B', ' CB ', 234.321, 271.217, 237.176], ['B', ' CG ', 235.357, 270.798, 236.138], ['B', ' CD1', 236.063, 269.539, 236.583], ['B', ' CD2', 234.737, 270.619, 234.779]]
[['B', ' N ', 237.069, 272.724, 238.856], ['B', ' CA ', 237.986, 273.848, 238.843], ['B', ' C ', 238.983, 273.707, 237.703], ['B', ' O ', 239.362, 272.6, 237.319], ['B', ' CB ', 238.734, 273.976, 240.168], ['B', ' CG ', 237.996, 274.714, 241.279], ['B', ' CD1', 237.738, 276.139, 240.852], ['B', ' CD2', 236.707, 274.032, 241.663]]
[['B', ' N ', 239.394, 274.845, 237.162], ['B', ' CA ', 240.38, 274.912, 236.099], ['B', ' C ', 241.627, 275.607, 236.616], ['B', ' O ', 241.536, 276.561, 237.39], ['B', ' CB ', 239.835, 275.67, 234.892], ['B', ' CG ', 240.803, 275.77, 233.727], ['B', ' CD ', 240.167, 276.432, 232.526], ['B', ' CE ', 241.121, 276.464, 231.355], ['B', ' NZ ', 240.484, 277.087, 230.169]]
[['B', ' N ', 242.789, 275.13, 236.185], ['B', ' CA ', 244.066, 275.726, 236.541], ['B', ' C ', 244.802, 276.152, 235.28], ['B', ' O ', 244.858, 275.404, 234.302], ['B', ' CB ', 244.926, 274.746, 237.336], ['B', ' CG ', 244.454, 274.494, 238.744], ['B', ' CD1', 243.44, 273.595, 239.004], ['B', ' CD2', 245.037, 275.142, 239.814], ['B', ' CE1', 243.012, 273.36, 240.283], ['B', ' CE2', 244.617, 274.912, 241.097], ['B', ' CZ ', 243.602, 274.023, 241.325], ['B', ' OH ', 243.182, 273.793, 242.609]]
[['B', ' N ', 245.362, 277.356, 235.304], ['B', ' CA ', 246.174, 277.847, 234.2], ['B', ' C ', 247.584, 277.273, 234.327], ['B', ' O ', 247.827, 276.328, 235.079], ['B', ' CB ', 246.165, 279.37, 234.171], ['B', ' CG ', 246.987, 279.978, 235.28], ['B', ' ND2', 247.626, 281.099, 234.991], ['B', ' OD1', 247.047, 279.451, 236.386]]
[['B', ' N ', 248.538, 277.828, 233.579], ['B', ' CA ', 249.884, 277.262, 233.582], ['B', ' C ', 250.566, 277.44, 234.933], ['B', ' O ', 251.332, 276.571, 235.363], ['B', ' CB ', 250.729, 277.884, 232.469], ['B', ' CG ', 251.037, 279.361, 232.652], ['B', ' CD ', 251.854, 279.931, 231.513], ['B', ' OE1', 252.21, 279.162, 230.595], ['B', ' OE2', 252.137, 281.148, 231.534]]
[['B', ' N ', 250.307, 278.551, 235.618], ['B', ' CA ', 251.0, 278.86, 236.86], ['B', ' C ', 250.294, 278.317, 238.09], ['B', ' O ', 250.705, 278.629, 239.209], ['B', ' CB ', 251.179, 280.367, 237.019], ['B', ' CG ', 252.043, 280.972, 235.942], ['B', ' ND2', 251.87, 282.265, 235.726], ['B', ' OD1', 252.858, 280.297, 235.317]]
[['B', ' N ', 249.239, 277.531, 237.921], ['B', ' CA ', 248.559, 276.985, 239.073], ['B', ' C ', 247.567, 277.906, 239.736], ['B', ' O ', 247.305, 277.753, 240.931]]
[['B', ' N ', 247.007, 278.861, 239.002], ['B', ' CA ', 246.001, 279.773, 239.524], ['B', ' C ', 244.655, 279.46, 238.892], ['B', ' O ', 244.544, 279.397, 237.665], ['B', ' CB ', 246.381, 281.225, 239.25], ['B', ' CG2', 245.187, 282.132, 239.448], ['B', ' OG1', 247.431, 281.618, 240.141]]
[['B', ' N ', 243.642, 279.259, 239.734], ['B', ' CA ', 242.292, 279.025, 239.243], ['B', ' C ', 241.86, 280.187, 238.362], ['B', ' O ', 242.074, 281.358, 238.697], ['B', ' CB ', 241.338, 278.834, 240.432], ['B', ' CG1', 241.417, 277.408, 240.953], ['B', ' CG2', 239.922, 279.162, 240.047], ['B', ' CD1', 240.775, 277.238, 242.296]]
[['B', ' N ', 241.261, 279.869, 237.212], ['B', ' CA ', 240.79, 280.888, 236.286], ['B', ' C ', 239.307, 280.813, 235.966], ['B', ' O ', 238.725, 281.844, 235.614], ['B', ' CB ', 241.57, 280.824, 234.966], ['B', ' CG2', 243.039, 281.067, 235.208], ['B', ' OG1', 241.391, 279.537, 234.368]]
[['B', ' N ', 238.683, 279.642, 236.052], ['B', ' CA ', 237.242, 279.55, 235.879], ['B', ' C ', 236.761, 278.265, 236.527], ['B', ' O ', 237.522, 277.312, 236.689], ['B', ' CB ', 236.842, 279.597, 234.405], ['B', ' CG ', 235.401, 280.005, 234.213], ['B', ' OD1', 234.701, 280.182, 235.229], ['B', ' OD2', 234.968, 280.16, 233.053]]
[['B', ' N ', 235.482, 278.251, 236.892], ['B', ' CA ', 234.911, 277.137, 237.631], ['B', ' C ', 233.532, 276.811, 237.09], ['B', ' O ', 232.826, 277.682, 236.581], ['B', ' CB ', 234.812, 277.44, 239.125]]
[['B', ' N ', 233.149, 275.548, 237.22], ['B', ' CA ', 231.876, 275.051, 236.722], ['B', ' C ', 231.156, 274.347, 237.859], ['B', ' O ', 231.725, 273.462, 238.505], ['B', ' CB ', 232.071, 274.1, 235.53], ['B', ' CG1', 230.828, 273.285, 235.3], ['B', ' CG2', 232.419, 274.885, 234.292]]
[['B', ' N ', 229.911, 274.737, 238.099], ['B', ' CA ', 229.067, 274.077, 239.081], ['B', ' C ', 228.535, 272.797, 238.46], ['B', ' O ', 228.075, 272.81, 237.318], ['B', ' CB ', 227.919, 274.995, 239.494], ['B', ' CG ', 227.117, 274.451, 240.661], ['B', ' OD1', 226.928, 273.22, 240.758], ['B', ' OD2', 226.661, 275.266, 241.489]]
[['B', ' N ', 228.606, 271.688, 239.198], ['B', ' CA ', 228.134, 270.432, 238.625], ['B', ' C ', 226.615, 270.363, 238.611], ['B', ' O ', 226.029, 269.763, 237.706], ['B', ' CB ', 228.71, 269.236, 239.38], ['B', ' SG ', 230.483, 268.953, 239.132]]
[['B', ' N ', 225.959, 270.979, 239.589], ['B', ' CA ', 224.52, 270.835, 239.779], ['B', ' C ', 223.771, 272.149, 239.585], ['B', ' O ', 222.879, 272.489, 240.362], ['B', ' CB ', 224.217, 270.259, 241.157]]
[['B', ' N ', 224.119, 272.904, 238.548], ['B', ' CA ', 223.371, 274.112, 238.232], ['B', ' C ', 222.307, 273.856, 237.172], ['B', ' O ', 221.156, 274.268, 237.334], ['B', ' CB ', 224.321, 275.217, 237.771], ['B', ' CG ', 223.619, 276.476, 237.272], ['B', ' CD1', 222.891, 277.14, 238.408], ['B', ' CD2', 224.598, 277.437, 236.641]]
[['B', ' N ', 222.672, 273.181, 236.089], ['B', ' CA ', 221.745, 272.877, 235.008], ['B', ' C ', 222.308, 271.698, 234.225], ['B', ' O ', 223.466, 271.311, 234.426], ['B', ' CB ', 221.52, 274.102, 234.103], ['B', ' CG ', 222.808, 274.725, 233.632], ['B', ' OD1', 223.88, 274.308, 234.105], ['B', ' OD2', 222.753, 275.639, 232.786]]
[['B', ' N ', 221.508, 271.084, 233.348], ['B', ' CA ', 221.991, 269.885, 232.641], ['B', ' C ', 223.276, 270.082, 231.858], ['B', ' O ', 224.123, 269.177, 231.831], ['B', ' CB ', 220.82, 269.552, 231.717], ['B', ' CG ', 219.64, 270.022, 232.463], ['B', ' CD ', 220.058, 271.266, 233.172]]
[['B', ' N ', 223.449, 271.231, 231.209], ['B', ' CA ', 224.682, 271.473, 230.469], ['B', ' C ', 225.887, 271.419, 231.397], ['B', ' O ', 226.936, 270.863, 231.045], ['B', ' CB ', 224.606, 272.821, 229.764], ['B', ' CG ', 225.904, 273.367, 229.183], ['B', ' CD1', 226.535, 272.366, 228.236], ['B', ' CD2', 225.647, 274.679, 228.48]]
[['B', ' N ', 225.751, 271.986, 232.593], ['B', ' CA ', 226.821, 271.9, 233.573], ['B', ' C ', 227.018, 270.476, 234.069], ['B', ' O ', 228.149, 270.084, 234.356], ['B', ' CB ', 226.531, 272.838, 234.733], ['B', ' OG ', 226.525, 274.181, 234.291]]
[['B', ' N ', 225.944, 269.688, 234.177], ['B', ' CA ', 226.103, 268.262, 234.455], ['B', ' C ', 227.017, 267.608, 233.431], ['B', ' O ', 227.923, 266.844, 233.783], ['B', ' CB ', 224.745, 267.557, 234.456], ['B', ' CG ', 223.754, 267.917, 235.561], ['B', ' CD ', 224.206, 267.476, 236.945], ['B', ' OE1', 224.899, 266.443, 237.044], ['B', ' OE2', 223.829, 268.134, 237.937]]
[['B', ' N ', 226.785, 267.888, 232.149], ['B', ' CA ', 227.605, 267.274, 231.111], ['B', ' C ', 229.049, 267.746, 231.198], ['B', ' O ', 229.983, 266.937, 231.122], ['B', ' CB ', 227.031, 267.58, 229.735], ['B', ' CG2', 225.591, 267.173, 229.684], ['B', ' OG1', 227.124, 268.984, 229.486]]
[['B', ' N ', 229.255, 269.053, 231.353], ['B', ' CA ', 230.614, 269.561, 231.501], ['B', ' C ', 231.314, 268.878, 232.668], ['B', ' O ', 232.463, 268.443, 232.554], ['B', ' CB ', 230.6, 271.073, 231.715], ['B', ' CG ', 230.145, 271.906, 230.541], ['B', ' CD ', 229.84, 273.314, 231.018], ['B', ' CE ', 229.851, 274.314, 229.886], ['B', ' NZ ', 229.593, 275.686, 230.392]]
[['B', ' N ', 230.614, 268.755, 233.795], ['B', ' CA ', 231.2, 268.185, 234.999], ['B', ' C ', 231.54, 266.711, 234.813], ['B', ' O ', 232.56, 266.235, 235.321], ['B', ' CB ', 230.238, 268.388, 236.17], ['B', ' SG ', 230.611, 267.511, 237.702]]
[['B', ' N ', 230.701, 265.969, 234.091], ['B', ' CA ', 230.972, 264.549, 233.907], ['B', ' C ', 231.941, 264.262, 232.769], ['B', ' O ', 232.395, 263.121, 232.644], ['B', ' CB ', 229.678, 263.777, 233.658], ['B', ' CG2', 229.122, 264.105, 232.293], ['B', ' OG1', 229.952, 262.373, 233.707]]
[['B', ' N ', 232.26, 265.248, 231.933], ['B', ' CA ', 233.253, 265.046, 230.887], ['B', ' C ', 234.643, 265.532, 231.269], ['B', ' O ', 235.6, 265.231, 230.551], ['B', ' CB ', 232.825, 265.745, 229.594], ['B', ' CG ', 231.918, 264.96, 228.656], ['B', ' CD1', 231.634, 265.772, 227.417], ['B', ' CD2', 232.56, 263.641, 228.297]]
[['B', ' N ', 234.778, 266.258, 232.377], ['B', ' CA ', 236.034, 266.899, 232.756], ['B', ' C ', 236.557, 267.773, 231.62], ['B', ' O ', 237.711, 267.675, 231.201], ['B', ' CB ', 237.082, 265.872, 233.185], ['B', ' CG ', 236.568, 264.826, 234.151], ['B', ' CD ', 236.745, 265.259, 235.593], ['B', ' CE ', 236.57, 264.083, 236.539], ['B', ' NZ ', 235.334, 263.308, 236.242]]
[['B', ' N ', 235.682, 268.633, 231.111], ['B', ' CA ', 236.051, 269.554, 230.05], ['B', ' C ', 235.128, 270.759, 230.113], ['B', ' O ', 234.088, 270.736, 230.773], ['B', ' CB ', 235.984, 268.884, 228.678], ['B', ' OG ', 236.243, 269.819, 227.648]]
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[['B', ' N ', 234.412, 272.423, 226.995], ['B', ' CA ', 233.719, 272.377, 225.72], ['B', ' C ', 233.077, 271.009, 225.559], ['B', ' O ', 233.713, 269.982, 225.813], ['B', ' CB ', 234.675, 272.635, 224.554], ['B', ' CG2', 234.989, 274.117, 224.436], ['B', ' OG1', 235.889, 271.904, 224.764]]
[['B', ' N ', 231.818, 270.996, 225.141], ['B', ' CA ', 231.091, 269.759, 224.898], ['B', ' C ', 230.657, 269.758, 223.444], ['B', ' O ', 229.85, 270.6, 223.031], ['B', ' CB ', 229.882, 269.609, 225.83], ['B', ' CG1', 228.961, 268.531, 225.321], ['B', ' CG2', 230.355, 269.28, 227.22]]
[['B', ' N ', 231.187, 268.818, 222.674], ['B', ' CA ', 230.951, 268.789, 221.244], ['B', ' C ', 229.511, 268.388, 220.949], ['B', ' O ', 228.728, 268.061, 221.842], ['B', ' CB ', 231.917, 267.819, 220.572], ['B', ' CG ', 233.356, 268.268, 220.638], ['B', ' CD ', 234.005, 267.913, 221.959], ['B', ' OE1', 233.339, 267.259, 222.791], ['B', ' OE2', 235.174, 268.296, 222.171]]
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[['B', ' N ', 224.85, 262.976, 225.504], ['B', ' CA ', 225.65, 262.425, 226.588], ['B', ' C ', 224.771, 262.011, 227.755], ['B', ' O ', 223.905, 262.772, 228.192], ['B', ' CB ', 226.679, 263.436, 227.082], ['B', ' CG ', 227.693, 263.84, 226.049], ['B', ' CD1', 227.461, 264.908, 225.207], ['B', ' CD2', 228.884, 263.153, 225.919], ['B', ' CE1', 228.384, 265.278, 224.267], ['B', ' CE2', 229.813, 263.518, 224.98], ['B', ' CZ ', 229.558, 264.582, 224.158], ['B', ' OH ', 230.483, 264.953, 223.215]]
[['B', ' N ', 225.012, 260.811, 228.27], ['B', ' CA ', 224.315, 260.314, 229.447], ['B', ' C ', 224.95, 260.95, 230.674], ['B', ' O ', 226.177, 260.966, 230.796], ['B', ' CB ', 224.396, 258.791, 229.512], ['B', ' CG ', 223.536, 258.155, 230.585], ['B', ' CD ', 224.211, 258.097, 231.928], ['B', ' NE2', 223.416, 258.135, 232.986], ['B', ' OE1', 225.432, 258.013, 232.019]]
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[['B', ' N ', 223.189, 261.316, 234.389], ['B', ' CA ', 222.904, 260.909, 235.761], ['B', ' C ', 221.681, 260.0, 235.757], ['B', ' O ', 221.262, 259.507, 234.706], ['B', ' CB ', 222.72, 262.144, 236.656], ['B', ' OG ', 221.387, 262.612, 236.597]]
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[['B', ' N ', 217.647, 259.09, 237.831], ['B', ' CA ', 216.419, 259.721, 238.284], ['B', ' C ', 215.501, 258.662, 238.866], ['B', ' O ', 215.484, 257.524, 238.393], ['B', ' CB ', 215.735, 260.459, 237.132], ['B', ' CG ', 214.467, 261.162, 237.517], ['B', ' CD1', 214.495, 262.343, 238.23], ['B', ' CD2', 213.243, 260.667, 237.104], ['B', ' CE1', 213.316, 262.99, 238.564], ['B', ' CE2', 212.073, 261.304, 237.426], ['B', ' CZ ', 212.103, 262.468, 238.156]]
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[['B', ' N ', 211.525, 258.767, 241.264], ['B', ' CA ', 210.576, 259.506, 242.08], ['B', ' C ', 210.784, 259.162, 243.546], ['B', ' O ', 210.915, 257.988, 243.917], ['B', ' CB ', 209.139, 259.197, 241.636], ['B', ' CG1', 208.145, 259.762, 242.625], ['B', ' CG2', 208.892, 259.76, 240.261]]
[['B', ' N ', 210.832, 260.186, 244.385], ['B', ' CA ', 210.955, 259.963, 245.814], ['B', ' C ', 209.591, 259.645, 246.423], ['B', ' O ', 208.559, 260.092, 245.918], ['B', ' CB ', 211.553, 261.189, 246.493], ['B', ' CG ', 212.966, 261.515, 246.043], ['B', ' CD ', 213.825, 260.282, 245.873], ['B', ' NE2', 214.456, 260.16, 244.714], ['B', ' OE1', 213.92, 259.447, 246.771]]
[['B', ' N ', 209.562, 258.878, 247.508], ['B', ' CA ', 208.289, 258.563, 248.161], ['B', ' C ', 207.663, 259.805, 248.775], ['B', ' O ', 208.281, 260.863, 248.889], ['B', ' CB ', 208.684, 257.549, 249.235], ['B', ' CG ', 210.126, 257.832, 249.496], ['B', ' CD ', 210.699, 258.224, 248.173]]
[['B', ' N ', 206.402, 259.664, 249.171], ['B', ' CA ', 205.65, 260.783, 249.721], ['B', ' C ', 205.14, 260.534, 251.132], ['B', ' O ', 205.279, 261.41, 251.993], ['B', ' CB ', 204.476, 261.124, 248.797], ['B', ' CG2', 203.964, 262.521, 249.093], ['B', ' OG1', 204.915, 261.063, 247.436]]
[['B', ' N ', 204.542, 259.374, 251.399], ['B', ' CA ', 203.905, 259.109, 252.68], ['B', ' C ', 204.315, 257.739, 253.2], ['B', ' O ', 204.725, 256.86, 252.44], ['B', ' CB ', 202.377, 259.191, 252.575], ['B', ' CG ', 201.845, 260.58, 252.259], ['B', ' CD ', 201.458, 260.742, 250.806], ['B', ' OE1', 201.565, 259.76, 250.047], ['B', ' OE2', 201.039, 261.851, 250.422]]
[['B', ' N ', 204.183, 257.565, 254.516], ['B', ' CA ', 204.659, 256.383, 255.227], ['B', ' C ', 203.479, 255.536, 255.682], ['B', ' O ', 202.642, 256.001, 256.461], ['B', ' CB ', 205.51, 256.784, 256.429], ['B', ' OG ', 205.775, 255.663, 257.248]]
[['B', ' N ', 203.435, 254.289, 255.224], ['B', ' CA ', 202.336, 253.374, 255.503], ['B', ' C ', 202.826, 252.348, 256.514], ['B', ' O ', 203.772, 251.6, 256.238], ['B', ' CB ', 201.839, 252.685, 254.225], ['B', ' CG1', 201.376, 253.716, 253.208], ['B', ' CG2', 200.695, 251.767, 254.536], ['B', ' CD1', 200.243, 254.554, 253.69]]
[['B', ' N ', 202.184, 252.308, 257.679], ['B', ' CA ', 202.514, 251.368, 258.747], ['B', ' C ', 201.254, 250.584, 259.082], ['B', ' O ', 200.238, 251.175, 259.469], ['B', ' CB ', 203.058, 252.088, 259.991], ['B', ' CG1', 202.988, 251.185, 261.199], ['B', ' CG2', 204.484, 252.551, 259.758]]
[['B', ' N ', 201.311, 249.262, 258.932], ['B', ' CA ', 200.168, 248.408, 259.222], ['B', ' C ', 200.587, 247.277, 260.149], ['B', ' O ', 201.486, 246.5, 259.818], ['B', ' CB ', 199.565, 247.838, 257.935], ['B', ' CG ', 199.239, 248.88, 256.883], ['B', ' CD ', 197.888, 249.52, 257.115], ['B', ' NE ', 196.827, 248.864, 256.358], ['B', ' CZ ', 195.566, 249.282, 256.328], ['B', ' NH1', 195.207, 250.36, 257.01], ['B', ' NH2', 194.664, 248.63, 255.612]]
[['B', ' N ', 199.92, 247.178, 261.29], ['B', ' CA ', 200.061, 246.106, 262.263], ['B', ' C ', 198.695, 245.502, 262.524], ['B', ' O ', 197.669, 246.131, 262.244], ['B', ' CB ', 200.648, 246.587, 263.599], ['B', ' CG ', 202.082, 246.995, 263.537], ['B', ' CD1', 202.873, 246.649, 262.462], ['B', ' CD2', 202.639, 247.728, 264.566], ['B', ' CE1', 204.193, 247.019, 262.416], ['B', ' CE2', 203.958, 248.108, 264.523], ['B', ' CZ ', 204.738, 247.754, 263.448]]
[['B', ' N ', 198.645, 244.281, 263.053], ['B', ' CA ', 197.367, 243.753, 263.535], ['B', ' C ', 196.808, 244.653, 264.624], ['B', ' O ', 197.548, 245.184, 265.455], ['B', ' CB ', 197.736, 242.367, 264.076], ['B', ' CG ', 199.2, 242.448, 264.356], ['B', ' CD ', 199.747, 243.332, 263.281]]
[['B', ' N ', 195.491, 244.829, 264.614], ['B', ' CA ', 194.847, 245.713, 265.574], ['B', ' C ', 194.514, 245.017, 266.886], ['B', ' O ', 193.918, 245.641, 267.769], ['B', ' CB ', 193.586, 246.336, 264.964], ['B', ' CG ', 192.61, 245.305, 264.446], ['B', ' ND2', 191.438, 245.773, 264.032], ['B', ' OD1', 192.899, 244.109, 264.414]]
[['B', ' N ', 194.887, 243.748, 267.034], ['B', ' CA ', 194.735, 243.068, 268.313], ['B', ' C ', 195.713, 243.659, 269.318], ['B', ' O ', 196.877, 243.932, 268.995], ['B', ' CB ', 194.944, 241.555, 268.147], ['B', ' CG1', 194.772, 240.842, 269.49], ['B', ' CG2', 196.306, 241.259, 267.534], ['B', ' CD1', 193.389, 240.979, 270.081]]
[['B', ' N ', 195.237, 243.883, 270.54], ['B', ' CA ', 196.07, 244.359, 271.635], ['B', ' C ', 195.941, 243.408, 272.818], ['B', ' O ', 194.832, 242.998, 273.178], ['B', ' CB ', 195.701, 245.794, 272.038], ['B', ' CG2', 194.247, 245.896, 272.489], ['B', ' OG1', 196.57, 246.239, 273.088]]
[['B', ' N ', 197.082, 243.037, 273.395], ['B', ' CA ', 197.14, 242.146, 274.545], ['B', ' C ', 198.557, 242.159, 275.091], ['B', ' O ', 199.52, 242.089, 274.325], ['B', ' CB ', 196.731, 240.716, 274.175], ['B', ' CG ', 196.35, 239.894, 275.385], ['B', ' ND2', 196.547, 238.586, 275.297], ['B', ' OD1', 195.879, 240.429, 276.387]]
[['B', ' N ', 198.675, 242.241, 276.411], ['B', ' CA ', 199.98, 242.329, 277.047], ['B', ' C ', 200.654, 240.961, 277.061], ['B', ' O ', 200.049, 239.962, 277.463], ['B', ' CB ', 199.836, 242.879, 278.467], ['B', ' CG ', 201.101, 243.264, 279.234], ['B', ' CD1', 200.863, 244.532, 280.031], ['B', ' CD2', 201.518, 242.14, 280.161]]
[['B', ' N ', 201.903, 240.92, 276.616], ['B', ' CA ', 202.666, 239.679, 276.647], ['B', ' C ', 203.05, 239.343, 278.084], ['B', ' O ', 203.603, 240.195, 278.787], ['B', ' CB ', 203.921, 239.801, 275.788], ['B', ' SG ', 203.625, 239.73, 274.017]]
[['B', ' N ', 202.797, 238.122, 278.548], ['B', ' CA ', 203.16, 237.775, 279.927], ['B', ' C ', 204.664, 237.689, 280.116], ['B', ' O ', 205.233, 236.595, 280.179], ['B', ' CB ', 202.484, 236.415, 280.137], ['B', ' CG ', 202.386, 235.831, 278.777], ['B', ' CD ', 202.194, 236.987, 277.829]]
[['B', ' N ', 205.318, 238.846, 280.193], ['B', ' CA ', 206.744, 238.895, 280.474], ['B', ' C ', 207.04, 239.064, 281.956], ['B', ' O ', 208.102, 238.626, 282.419], ['B', ' CB ', 207.395, 240.03, 279.681], ['B', ' CG ', 208.019, 239.581, 278.391], ['B', ' CD1', 207.24, 239.372, 277.266], ['B', ' CD2', 209.382, 239.363, 278.303], ['B', ' CE1', 207.81, 238.958, 276.08], ['B', ' CE2', 209.956, 238.947, 277.119], ['B', ' CZ ', 209.169, 238.745, 276.007]]
[['B', ' N ', 206.127, 239.68, 282.708], ['B', ' CA ', 206.287, 239.73, 284.15], ['B', ' C ', 206.257, 238.351, 284.78], ['B', ' O ', 206.997, 238.073, 285.726]]
[['B', ' N ', 205.413, 237.464, 284.254], ['B', ' CA ', 205.36, 236.093, 284.742], ['B', ' C ', 206.622, 235.31, 284.417], ['B', ' O ', 206.791, 234.198, 284.928], ['B', ' CB ', 204.136, 235.385, 284.164], ['B', ' CG ', 202.816, 235.893, 284.718], ['B', ' CD ', 202.363, 237.19, 284.074], ['B', ' OE1', 203.065, 237.688, 283.169], ['B', ' OE2', 201.302, 237.713, 284.475]]
[['B', ' N ', 207.501, 235.854, 283.58], ['B', ' CA ', 208.799, 235.25, 283.313], ['B', ' C ', 209.833, 235.87, 284.238], ['B', ' O ', 210.573, 235.16, 284.926], ['B', ' CB ', 209.207, 235.428, 281.841], ['B', ' CG1', 210.614, 234.905, 281.614], ['B', ' CG2', 208.218, 234.719, 280.935]]
[['B', ' N ', 209.889, 237.201, 284.263], ['B', ' CA ', 210.954, 237.875, 284.998], ['B', ' C ', 210.681, 237.96, 286.497], ['B', ' O ', 211.628, 237.992, 287.291], ['B', ' CB ', 211.189, 239.267, 284.409], ['B', ' CG ', 211.847, 239.243, 283.059], ['B', ' CD1', 213.223, 239.192, 282.948], ['B', ' CD2', 211.09, 239.247, 281.902], ['B', ' CE1', 213.83, 239.166, 281.711], ['B', ' CE2', 211.694, 239.217, 280.663], ['B', ' CZ ', 213.065, 239.176, 280.567]]
[['B', ' N ', 209.414, 237.995, 286.909], ['B', ' CA ', 209.054, 238.052, 288.32], ['B', ' C ', 208.6, 236.7, 288.861], ['B', ' O ', 207.729, 236.643, 289.734], ['B', ' CB ', 207.968, 239.102, 288.553], ['B', ' CG ', 208.489, 240.52, 288.437], ['B', ' ND2', 207.639, 241.426, 287.963], ['B', ' OD1', 209.64, 240.799, 288.771]]
[['B', ' N ', 209.167, 235.608, 288.357], ['B', ' CA ', 208.822, 234.286, 288.858], ['B', ' C ', 209.549, 234.002, 290.167], ['B', ' O ', 210.649, 234.504, 290.414], ['B', ' CB ', 209.16, 233.21, 287.827]]
[['B', ' N ', 208.916, 233.185, 291.012], ['B', ' CA ', 209.476, 232.917, 292.333], ['B', ' C ', 210.755, 232.087, 292.25], ['B', ' O ', 211.719, 232.356, 292.976], ['B', ' CB ', 208.43, 232.235, 293.219], ['B', ' CG2', 207.935, 230.933, 292.601], ['B', ' OG1', 208.985, 231.981, 294.517]]
[['B', ' N ', 210.794, 231.084, 291.374], ['B', ' CA ', 211.958, 230.218, 291.274], ['B', ' C ', 212.045, 229.648, 289.868], ['B', ' O ', 211.051, 229.595, 289.14], ['B', ' CB ', 211.908, 229.071, 292.289], ['B', ' CG ', 210.979, 227.939, 291.887], ['B', ' CD ', 211.084, 226.77, 292.843], ['B', ' NE ', 210.742, 227.16, 294.205], ['B', ' CZ ', 209.5, 227.223, 294.67], ['B', ' NH1', 208.481, 226.922, 293.879], ['B', ' NH2', 209.277, 227.588, 295.924]]
[['B', ' N ', 213.246, 229.216, 289.499], ['B', ' CA ', 213.52, 228.603, 288.211], ['B', ' C ', 213.999, 227.169, 288.423], ['B', ' O ', 214.067, 226.671, 289.553], ['B', ' CB ', 214.564, 229.416, 287.444], ['B', ' CG ', 214.132, 230.812, 287.102], ['B', ' CD1', 212.801, 231.177, 287.134], ['B', ' CD2', 215.069, 231.765, 286.753], ['B', ' CE1', 212.413, 232.463, 286.822], ['B', ' CE2', 214.686, 233.053, 286.438], ['B', ' CZ ', 213.356, 233.402, 286.474]]
[['B', ' N ', 214.329, 226.501, 287.324], ['B', ' CA ', 215.114, 225.279, 287.371], ['B', ' C ', 216.595, 225.642, 287.372], ['B', ' O ', 216.971, 226.796, 287.161], ['B', ' CB ', 214.773, 224.373, 286.193]]
[['B', ' N ', 217.45, 224.656, 287.634], ['B', ' CA ', 218.837, 225.034, 287.866], ['B', ' C ', 219.624, 225.197, 286.57], ['B', ' O ', 219.864, 226.324, 286.127], ['B', ' CB ', 219.498, 223.98, 288.75], ['B', ' OG ', 218.719, 223.774, 289.912]]
[['B', ' N ', 220.017, 224.091, 285.941], ['B', ' CA ', 220.457, 224.111, 284.551], ['B', ' C ', 219.984, 222.832, 283.878], ['B', ' O ', 219.921, 222.743, 282.647], ['B', ' CB ', 221.984, 224.268, 284.445], ['B', ' CG1', 222.68, 223.01, 284.924], ['B', ' CG2', 222.392, 224.615, 283.021]]
[['B', ' N ', 219.637, 221.838, 284.692], ['B', ' CA ', 219.406, 220.492, 284.191], ['B', ' C ', 217.953, 220.243, 283.83], ['B', ' O ', 217.672, 219.383, 282.988], ['B', ' CB ', 219.88, 219.465, 285.222], ['B', ' CG ', 218.84, 219.078, 286.241], ['B', ' CD1', 218.465, 219.96, 287.245], ['B', ' CD2', 218.249, 217.823, 286.217], ['B', ' CE1', 217.517, 219.609, 288.186], ['B', ' CE2', 217.301, 217.462, 287.155], ['B', ' CZ ', 216.939, 218.358, 288.137], ['B', ' OH ', 215.996, 218.005, 289.075]]
[['B', ' N ', 217.024, 220.97, 284.445], ['B', ' CA ', 215.629, 220.904, 284.031], ['B', ' C ', 215.302, 221.997, 283.021], ['B', ' O ', 214.673, 221.725, 281.995], ['B', ' CB ', 214.711, 220.999, 285.252]]
[['B', ' N ', 215.718, 223.228, 283.309], ['B', ' CA ', 215.628, 224.371, 282.397], ['B', ' C ', 214.265, 224.425, 281.695], ['B', ' O ', 214.137, 224.301, 280.478], ['B', ' CB ', 216.813, 224.375, 281.418], ['B', ' CG ', 216.712, 223.512, 280.185], ['B', ' CD1', 216.838, 222.157, 280.111], ['B', ' CD2', 216.507, 223.969, 278.843], ['B', ' CE2', 216.494, 222.834, 278.013], ['B', ' CE3', 216.316, 225.227, 278.267], ['B', ' NE1', 216.699, 221.74, 278.811], ['B', ' CZ2', 216.305, 222.92, 276.64], ['B', ' CZ3', 216.131, 225.31, 276.908], ['B', ' CH2', 216.126, 224.165, 276.107]]
[['B', ' N ', 213.228, 224.608, 282.511], ['B', ' CA ', 211.87, 224.665, 281.993], ['B', ' C ', 211.76, 225.724, 280.905], ['B', ' O ', 212.257, 226.845, 281.045], ['B', ' CB ', 210.88, 224.968, 283.119], ['B', ' CG ', 209.483, 225.253, 282.604], ['B', ' ND2', 209.156, 226.531, 282.455], ['B', ' OD1', 208.707, 224.335, 282.342]]
[['B', ' N ', 211.111, 225.354, 279.807], ['B', ' CA ', 210.994, 226.207, 278.635], ['B', ' C ', 209.578, 226.756, 278.564], ['B', ' O ', 208.608, 225.996, 278.643], ['B', ' CB ', 211.347, 225.433, 277.361], ['B', ' CG ', 210.626, 225.895, 276.109], ['B', ' CD ', 211.158, 227.229, 275.607], ['B', ' NE ', 212.53, 227.144, 275.116], ['B', ' CZ ', 212.885, 226.564, 273.977], ['B', ' NH1', 211.972, 225.996, 273.204], ['B', ' NH2', 214.157, 226.546, 273.611]]
[['B', ' N ', 209.467, 228.071, 278.416], ['B', ' CA ', 208.189, 228.763, 278.408], ['B', ' C ', 207.85, 229.185, 276.986], ['B', ' O ', 208.744, 229.45, 276.177], ['B', ' CB ', 208.232, 229.981, 279.335], ['B', ' CG ', 207.003, 230.864, 279.291], ['B', ' CD ', 205.795, 230.145, 279.859], ['B', ' CE ', 204.578, 231.053, 279.879], ['B', ' NZ ', 203.636, 230.684, 280.97]]
[['B', ' N ', 206.557, 229.229, 276.681], ['B', ' CA ', 206.062, 229.6, 275.365], ['B', ' C ', 205.247, 230.884, 275.456], ['B', ' O ', 204.462, 231.063, 276.393], ['B', ' CB ', 205.202, 228.48, 274.783], ['B', ' CG ', 205.032, 228.551, 273.287], ['B', ' CD ', 206.374, 228.481, 272.599], ['B', ' NE ', 206.284, 227.875, 271.274], ['B', ' CZ ', 205.776, 228.48, 270.207], ['B', ' NH1', 205.304, 229.716, 270.298], ['B', ' NH2', 205.745, 227.848, 269.043]]
[['B', ' N ', 205.44, 231.779, 274.487], ['B', ' CA ', 204.618, 232.976, 274.358], ['B', ' C ', 204.155, 233.091, 272.916], ['B', ' O ', 204.843, 232.656, 271.988], ['B', ' CB ', 205.358, 234.264, 274.769], ['B', ' CG1', 206.559, 234.502, 273.859], ['B', ' CG2', 205.786, 234.194, 276.223], ['B', ' CD1', 207.183, 235.852, 274.051]]
[['B', ' N ', 202.981, 233.69, 272.731], ['B', ' CA ', 202.448, 233.92, 271.395], ['B', ' C ', 201.28, 234.89, 271.482], ['B', ' O ', 200.668, 235.06, 272.54], ['B', ' CB ', 202.005, 232.614, 270.724], ['B', ' OG ', 203.112, 231.772, 270.449]]
[['B', ' N ', 200.997, 235.534, 270.348], ['B', ' CA ', 199.778, 236.313, 270.132], ['B', ' C ', 199.62, 237.433, 271.163], ['B', ' O ', 198.671, 237.466, 271.949], ['B', ' CB ', 198.553, 235.395, 270.121], ['B', ' CG ', 198.601, 234.385, 268.997], ['B', ' ND2', 197.91, 234.682, 267.903], ['B', ' OD1', 199.258, 233.353, 269.106]]
[['B', ' N ', 200.57, 238.363, 271.135], ['B', ' CA ', 200.503, 239.564, 271.958], ['B', ' C ', 201.567, 240.539, 271.481], ['B', ' O ', 202.569, 240.143, 270.881], ['B', ' CB ', 200.696, 239.249, 273.446], ['B', ' SG ', 202.189, 238.311, 273.818]]
[['B', ' N ', 201.341, 241.812, 271.761], ['B', ' CA ', 202.331, 242.848, 271.504], ['B', ' C ', 203.231, 242.968, 272.722], ['B', ' O ', 202.766, 242.907, 273.866], ['B', ' CB ', 201.654, 244.189, 271.167], ['B', ' CG1', 200.952, 244.1, 269.828], ['B', ' CG2', 200.665, 244.569, 272.251]]
[['B', ' N ', 204.529, 243.123, 272.482], ['B', ' CA ', 205.525, 243.155, 273.541], ['B', ' C ', 206.262, 244.483, 273.504], ['B', ' O ', 206.659, 244.945, 272.431], ['B', ' CB ', 206.516, 241.999, 273.4]]
[['B', ' N ', 206.449, 245.085, 274.673], ['B', ' CA ', 207.16, 246.352, 274.807], ['B', ' C ', 208.487, 246.076, 275.506], ['B', ' O ', 208.56, 246.02, 276.734], ['B', ' CB ', 206.332, 247.376, 275.573], ['B', ' CG ', 206.867, 248.784, 275.417], ['B', ' OD1', 207.857, 248.961, 274.677], ['B', ' OD2', 206.305, 249.711, 276.035]]
[['B', ' N ', 209.541, 245.909, 274.712], ['B', ' CA ', 210.871, 245.73, 275.272], ['B', ' C ', 211.452, 247.024, 275.82], ['B', ' O ', 212.511, 246.983, 276.458], ['B', ' CB ', 211.812, 245.157, 274.215], ['B', ' CG ', 211.295, 243.908, 273.552], ['B', ' CD1', 210.989, 242.783, 274.298], ['B', ' CD2', 211.118, 243.852, 272.181], ['B', ' CE1', 210.518, 241.638, 273.697], ['B', ' CE2', 210.648, 242.712, 271.572], ['B', ' CZ ', 210.35, 241.608, 272.334], ['B', ' OH ', 209.879, 240.467, 271.732]]
[['B', ' N ', 210.793, 248.162, 275.579], ['B', ' CA ', 211.342, 249.445, 276.005], ['B', ' C ', 211.519, 249.497, 277.514], ['B', ' O ', 212.542, 249.983, 278.009], ['B', ' CB ', 210.444, 250.586, 275.529], ['B', ' OG ', 210.947, 251.841, 275.955]]
[['B', ' N ', 210.536, 248.998, 278.265], ['B', ' CA ', 210.677, 248.964, 279.715], ['B', ' C ', 211.772, 247.986, 280.125], ['B', ' O ', 212.437, 248.183, 281.149], ['B', ' CB ', 209.324, 248.632, 280.373], ['B', ' CG1', 208.856, 247.24, 279.984], ['B', ' CG2', 209.414, 248.772, 281.883]]
[['B', ' N ', 211.996, 246.934, 279.335], ['B', ' CA ', 212.982, 245.928, 279.716], ['B', ' C ', 214.406, 246.439, 279.526], ['B', ' O ', 215.269, 246.219, 280.383], ['B', ' CB ', 212.756, 244.637, 278.93], ['B', ' CG ', 211.982, 243.546, 279.682], ['B', ' CD1', 210.668, 244.074, 280.232], ['B', ' CD2', 211.738, 242.329, 278.8]]
[['B', ' N ', 214.679, 247.125, 278.416], ['B', ' CA ', 216.046, 247.592, 278.208], ['B', ' C ', 216.325, 248.949, 278.842], ['B', ' O ', 217.487, 249.369, 278.869], ['B', ' CB ', 216.399, 247.639, 276.714], ['B', ' CG ', 215.591, 248.588, 275.847], ['B', ' CD1', 215.692, 249.968, 275.99], ['B', ' CD2', 214.767, 248.098, 274.843], ['B', ' CE1', 214.964, 250.826, 275.187], ['B', ' CE2', 214.041, 248.946, 274.033], ['B', ' CZ ', 214.142, 250.308, 274.208], ['B', ' OH ', 213.415, 251.152, 273.4]]
[['B', ' N ', 215.306, 249.644, 279.342], ['B', ' CA ', 215.498, 250.916, 280.024], ['B', ' C ', 215.593, 250.76, 281.536], ['B', ' O ', 215.705, 251.763, 282.247], ['B', ' CB ', 214.373, 251.888, 279.666], ['B', ' CG ', 214.465, 252.38, 278.235], ['B', ' ND2', 213.321, 252.475, 277.567], ['B', ' OD1', 215.552, 252.67, 277.735]]
[['B', ' N ', 215.547, 249.53, 282.039], ['B', ' CA ', 215.739, 249.242, 283.454], ['B', ' C ', 217.137, 248.669, 283.637], ['B', ' O ', 217.455, 247.611, 283.082], ['B', ' CB ', 214.679, 248.268, 283.966], ['B', ' OG ', 213.379, 248.808, 283.801]]
[['B', ' N ', 217.965, 249.362, 284.419], ['B', ' CA ', 219.378, 249.035, 284.554], ['B', ' C ', 219.646, 248.048, 285.684], ['B', ' O ', 220.755, 248.011, 286.227], ['B', ' CB ', 220.197, 250.309, 284.757]]
[['B', ' N ', 218.654, 247.242, 286.048], ['B', ' CA ', 218.838, 246.212, 287.059], ['B', ' C ', 219.389, 244.916, 286.482], ['B', ' O ', 219.627, 243.97, 287.238], ['B', ' CB ', 217.514, 245.938, 287.779], ['B', ' OG ', 216.456, 245.774, 286.854]]
[['B', ' N ', 219.598, 244.853, 285.171], ['B', ' CA ', 220.137, 243.673, 284.51], ['B', ' C ', 221.632, 243.863, 284.294], ['B', ' O ', 222.067, 244.922, 283.831], ['B', ' CB ', 219.428, 243.425, 283.177], ['B', ' CG ', 217.97, 243.076, 283.318], ['B', ' CD1', 217.509, 242.398, 284.432], ['B', ' CD2', 217.062, 243.427, 282.337], ['B', ' CE1', 216.171, 242.08, 284.561], ['B', ' CE2', 215.726, 243.108, 282.464], ['B', ' CZ ', 215.281, 242.434, 283.575]]
[['B', ' N ', 222.415, 242.84, 284.635], ['B', ' CA ', 223.866, 242.955, 284.629], ['B', ' C ', 224.516, 242.517, 283.324], ['B', ' O ', 225.729, 242.689, 283.173], ['B', ' CB ', 224.463, 242.141, 285.78], ['B', ' OG ', 225.878, 242.179, 285.743]]
[['B', ' N ', 223.758, 241.956, 282.383], ['B', ' CA ', 224.338, 241.535, 281.108], ['B', ' C ', 223.226, 241.474, 280.07], ['B', ' O ', 222.354, 240.605, 280.153], ['B', ' CB ', 225.037, 240.186, 281.243], ['B', ' CG2', 225.586, 239.733, 279.898], ['B', ' OG1', 226.12, 240.296, 282.175]]
[['B', ' N ', 223.265, 242.385, 279.098], ['B', ' CA ', 222.28, 242.453, 278.019], ['B', ' C ', 223.048, 242.65, 276.716], ['B', ' O ', 223.209, 243.778, 276.245], ['B', ' CB ', 221.293, 243.582, 278.279], ['B', ' CG ', 220.001, 243.461, 277.526], ['B', ' CD1', 219.956, 243.654, 276.16], ['B', ' CD2', 218.825, 243.182, 278.195], ['B', ' CE1', 218.764, 243.562, 275.477], ['B', ' CE2', 217.632, 243.086, 277.512], ['B', ' CZ ', 217.603, 243.274, 276.152]]
[['B', ' N ', 223.503, 241.547, 276.126], ['B', ' CA ', 224.289, 241.559, 274.895], ['B', ' C ', 223.561, 240.696, 273.876], ['B', ' O ', 223.471, 239.475, 274.047], ['B', ' CB ', 225.704, 241.039, 275.14], ['B', ' CG ', 226.536, 241.893, 276.082], ['B', ' CD ', 226.889, 243.236, 275.466], ['B', ' CE ', 227.993, 243.087, 274.43], ['B', ' NZ ', 228.361, 244.391, 273.814]]
[['B', ' N ', 223.048, 241.318, 272.821], ['B', ' CA ', 222.206, 240.624, 271.862], ['B', ' C ', 222.97, 240.337, 270.581], ['B', ' O ', 223.695, 241.194, 270.071], ['B', ' CB ', 220.934, 241.416, 271.549], ['B', ' SG ', 219.771, 241.614, 272.941]]
[['B', ' N ', 222.798, 239.126, 270.066], ['B', ' CA ', 223.462, 238.686, 268.85], ['B', ' C ', 222.5, 238.827, 267.681], ['B', ' O ', 221.395, 238.276, 267.711], ['B', ' CB ', 223.938, 237.24, 268.989], ['B', ' CG ', 224.897, 237.041, 270.137], ['B', ' CD1', 226.133, 237.669, 270.148], ['B', ' CD2', 224.552, 236.256, 271.229], ['B', ' CE1', 227.01, 237.499, 271.2], ['B', ' CE2', 225.421, 236.084, 272.287], ['B', ' CZ ', 226.649, 236.707, 272.266], ['B', ' OH ', 227.523, 236.544, 273.313]]
[['B', ' N ', 222.913, 239.583, 266.669], ['B', ' CA ', 222.138, 239.723, 265.458], ['B', ' C ', 220.981, 240.692, 265.526], ['B', ' O ', 220.393, 240.993, 264.486]]
[['B', ' N ', 220.647, 241.22, 266.696], ['B', ' CA ', 219.515, 242.125, 266.834], ['B', ' C ', 219.947, 243.337, 267.645], ['B', ' O ', 220.73, 243.228, 268.592], ['B', ' CB ', 218.313, 241.416, 267.488], ['B', ' CG1', 217.222, 242.402, 267.811], ['B', ' CG2', 217.78, 240.344, 266.558]]
[['B', ' N ', 219.436, 244.503, 267.259], ['B', ' CA ', 219.725, 245.736, 267.98], ['B', ' C ', 218.7, 245.945, 269.083], ['B', ' O ', 217.506, 246.082, 268.783], ['B', ' CB ', 219.712, 246.921, 267.04], ['B', ' OG ', 220.74, 246.796, 266.081]]
[['B', ' N ', 219.109, 245.998, 270.352], ['B', ' CA ', 218.126, 246.202, 271.428], ['B', ' C ', 217.337, 247.491, 271.293], ['B', ' O ', 216.241, 247.596, 271.857], ['B', ' CB ', 218.991, 246.194, 272.697], ['B', ' CG ', 220.4, 246.375, 272.222], ['B', ' CD ', 220.456, 245.741, 270.88]]
[['B', ' N ', 217.861, 248.482, 270.572], ['B', ' CA ', 217.085, 249.686, 270.301], ['B', ' C ', 215.975, 249.41, 269.291], ['B', ' O ', 214.833, 249.846, 269.472], ['B', ' CB ', 218.003, 250.8, 269.796], ['B', ' CG2', 218.773, 251.426, 270.951], ['B', ' OG1', 218.93, 250.262, 268.845]]
[['B', ' N ', 216.294, 248.685, 268.217], ['B', ' CA ', 215.323, 248.399, 267.167], ['B', ' C ', 214.32, 247.325, 267.56], ['B', ' O ', 213.385, 247.072, 266.794], ['B', ' CB ', 216.042, 247.966, 265.89], ['B', ' CG ', 217.173, 248.88, 265.459], ['B', ' CD ', 216.734, 249.827, 264.366], ['B', ' CE ', 217.868, 250.747, 263.953], ['B', ' NZ ', 219.054, 249.991, 263.48]]
[['B', ' N ', 214.497, 246.683, 268.718], ['B', ' CA ', 213.605, 245.597, 269.117], ['B', ' C ', 212.166, 246.064, 269.259], ['B', ' O ', 211.24, 245.254, 269.157], ['B', ' CB ', 214.077, 244.983, 270.432], ['B', ' CG ', 214.833, 243.671, 270.292], ['B', ' CD1', 215.12, 243.081, 271.657], ['B', ' CD2', 214.023, 242.719, 269.446]]
[['B', ' N ', 211.952, 247.355, 269.496], ['B', ' CA ', 210.592, 247.857, 269.606], ['B', ' C ', 209.855, 247.801, 268.278], ['B', ' O ', 208.637, 247.993, 268.252], ['B', ' CB ', 210.605, 249.292, 270.127], ['B', ' CG ', 211.17, 249.4, 271.529], ['B', ' ND2', 210.466, 248.827, 272.498], ['B', ' OD1', 212.22, 250.003, 271.74]]
[['B', ' N ', 210.563, 247.547, 267.178], ['B', ' CA ', 210.001, 247.666, 265.838], ['B', ' C ', 209.672, 246.322, 265.202], ['B', ' O ', 208.582, 246.15, 264.651], ['B', ' CB ', 210.97, 248.431, 264.931], ['B', ' CG ', 210.8, 249.927, 265.032], ['B', ' OD1', 210.223, 250.394, 266.033], ['B', ' OD2', 211.235, 250.635, 264.104]]
[['B', ' N ', 210.598, 245.37, 265.257], ['B', ' CA ', 210.445, 244.131, 264.51], ['B', ' C ', 209.309, 243.281, 265.06], ['B', ' O ', 209.135, 243.156, 266.274], ['B', ' CB ', 211.74, 243.332, 264.546], ['B', ' CG ', 212.954, 243.973, 263.888], ['B', ' CD1', 213.959, 242.889, 263.584], ['B', ' CD2', 212.564, 244.729, 262.629]]
[['B', ' N ', 208.544, 242.685, 264.15], ['B', ' CA ', 207.5, 241.733, 264.495], ['B', ' C ', 208.01, 240.328, 264.206], ['B', ' O ', 208.562, 240.074, 263.131], ['B', ' CB ', 206.218, 242.015, 263.715], ['B', ' SG ', 204.776, 241.133, 264.342]]
[['B', ' N ', 207.819, 239.423, 265.164], ['B', ' CA ', 208.507, 238.14, 265.202], ['B', ' C ', 207.537, 236.993, 264.972], ['B', ' O ', 206.388, 237.04, 265.42], ['B', ' CB ', 209.2, 237.952, 266.547], ['B', ' CG ', 210.396, 238.819, 266.73], ['B', ' CD1', 211.502, 238.669, 265.922], ['B', ' CD2', 210.404, 239.803, 267.7], ['B', ' CE1', 212.603, 239.476, 266.087], ['B', ' CE2', 211.498, 240.613, 267.869], ['B', ' CZ ', 212.6, 240.451, 267.063]]
[['B', ' N ', 208.01, 235.956, 264.281], ['B', ' CA ', 207.162, 234.797, 264.023], ['B', ' C ', 206.945, 233.983, 265.292], ['B', ' O ', 205.805, 233.775, 265.723], ['B', ' CB ', 207.775, 233.925, 262.928], ['B', ' CG2', 206.752, 232.917, 262.422], ['B', ' OG1', 208.196, 234.75, 261.837]]
[['B', ' N ', 208.03, 233.514, 265.903], ['B', ' CA ', 207.962, 232.749, 267.139], ['B', ' C ', 208.983, 233.305, 268.112], ['B', ' O ', 210.129, 233.562, 267.735], ['B', ' CB ', 208.248, 231.27, 266.9], ['B', ' CG ', 207.606, 230.758, 265.644], ['B', ' ND2', 206.283, 230.816, 265.595], ['B', ' OD1', 208.288, 230.327, 264.715]]
[['B', ' N ', 208.573, 233.488, 269.361], ['B', ' CA ', 209.466, 233.968, 270.406], ['B', ' C ', 209.463, 232.958, 271.541], ['B', ' O ', 208.397, 232.566, 272.027], ['B', ' CB ', 209.056, 235.358, 270.919], ['B', ' CG1', 210.112, 235.899, 271.862], ['B', ' CG2', 208.848, 236.298, 269.761]]
[['B', ' N ', 210.648, 232.542, 271.963], ['B', ' CA ', 210.8, 231.594, 273.052], ['B', ' C ', 211.337, 232.308, 274.283], ['B', ' O ', 212.094, 233.275, 274.17], ['B', ' CB ', 211.742, 230.458, 272.662], ['B', ' CG ', 211.128, 229.433, 271.744], ['B', ' CD1', 209.77, 229.441, 271.47], ['B', ' CD2', 211.908, 228.457, 271.146], ['B', ' CE1', 209.21, 228.504, 270.629], ['B', ' CE2', 211.351, 227.514, 270.307], ['B', ' CZ ', 210.001, 227.544, 270.053], ['B', ' OH ', 209.44, 226.612, 269.217]]
[['B', ' N ', 210.938, 231.829, 275.455], ['B', ' CA ', 211.471, 232.303, 276.721], ['B', ' C ', 212.043, 231.123, 277.491], ['B', ' O ', 211.466, 230.032, 277.49], ['B', ' CB ', 210.395, 233.003, 277.549]]
[['B', ' N ', 213.18, 231.34, 278.142], ['B', ' CA ', 213.865, 230.298, 278.887], ['B', ' C ', 214.118, 230.777, 280.307], ['B', ' O ', 214.133, 231.98, 280.579], ['B', ' CB ', 215.184, 229.92, 278.218], ['B', ' CG ', 215.011, 229.58, 276.757], ['B', ' OD1', 213.91, 229.132, 276.383], ['B', ' OD2', 215.965, 229.762, 275.976]]
[['B', ' N ', 214.32, 229.827, 281.216], ['B', ' CA ', 214.483, 230.165, 282.626], ['B', ' C ', 215.355, 229.122, 283.305], ['B', ' O ', 215.026, 227.932, 283.281], ['B', ' CB ', 213.119, 230.262, 283.314], ['B', ' OG ', 212.499, 228.991, 283.395]]
[['B', ' N ', 216.459, 229.568, 283.903], ['B', ' CA ', 217.301, 228.696, 284.711], ['B', ' C ', 218.171, 229.55, 285.621], ['B', ' O ', 218.338, 230.753, 285.402], ['B', ' CB ', 218.17, 227.777, 283.85], ['B', ' CG ', 218.871, 228.478, 282.734], ['B', ' CD1', 220.023, 229.2, 282.968], ['B', ' CD2', 218.388, 228.398, 281.445], ['B', ' CE1', 220.673, 229.84, 281.94], ['B', ' CE2', 219.035, 229.033, 280.411], ['B', ' CZ ', 220.179, 229.755, 280.659]]
[['B', ' N ', 218.731, 228.907, 286.643], ['B', ' CA ', 219.575, 229.568, 287.632], ['B', ' C ', 220.895, 228.812, 287.702], ['B', ' O ', 220.936, 227.673, 288.184], ['B', ' CB ', 218.912, 229.623, 289.013], ['B', ' CG1', 219.873, 230.197, 290.039], ['B', ' CG2', 217.639, 230.44, 288.954]]
[['B', ' N ', 221.975, 229.447, 287.25], ['B', ' CA ', 223.3, 228.846, 287.259], ['B', ' C ', 224.258, 229.784, 287.982], ['B', ' O ', 223.908, 230.902, 288.359], ['B', ' CB ', 223.82, 228.541, 285.842], ['B', ' CG1', 224.138, 229.84, 285.105], ['B', ' CG2', 222.809, 227.726, 285.068], ['B', ' CD1', 224.969, 229.642, 283.861]]
[['B', ' N ', 225.484, 229.3, 288.177], ['B', ' CA ', 226.517, 230.111, 288.804], ['B', ' C ', 226.861, 231.307, 287.925], ['B', ' O ', 227.028, 231.182, 286.709], ['B', ' CB ', 227.763, 229.263, 289.073], ['B', ' CG ', 228.334, 228.579, 287.841], ['B', ' CD ', 229.438, 227.601, 288.208], ['B', ' NE ', 230.681, 228.278, 288.564], ['B', ' CZ ', 231.768, 227.659, 289.015], ['B', ' NH1', 231.768, 226.342, 289.165], ['B', ' NH2', 232.856, 228.355, 289.314]]
[['B', ' N ', 226.966, 232.475, 288.552], ['B', ' CA ', 227.168, 233.727, 287.854], ['B', ' C ', 228.599, 234.064, 287.504], ['B', ' O ', 228.845, 235.145, 286.955]]
[['B', ' N ', 229.551, 233.189, 287.805], ['B', ' CA ', 230.939, 233.402, 287.431], ['B', ' C ', 231.243, 232.918, 286.023], ['B', ' O ', 232.376, 233.077, 285.557], ['B', ' CB ', 231.866, 232.698, 288.424], ['B', ' CG ', 231.724, 231.192, 288.381], ['B', ' OD1', 230.674, 230.68, 288.822], ['B', ' OD2', 232.662, 230.517, 287.907]]
[['B', ' N ', 230.265, 232.332, 285.338], ['B', ' CA ', 230.461, 231.811, 283.993], ['B', ' C ', 229.303, 232.226, 283.096], ['B', ' O ', 228.76, 231.42, 282.333], ['B', ' CB ', 230.625, 230.292, 284.012], ['B', ' CG ', 231.52, 229.75, 282.911], ['B', ' CD ', 232.973, 230.148, 283.092], ['B', ' OE1', 233.382, 230.411, 284.243], ['B', ' OE2', 233.707, 230.195, 282.083]]
[['B', ' N ', 228.906, 233.498, 283.187], ['B', ' CA ', 227.868, 234.033, 282.311], ['B', ' C ', 228.285, 233.917, 280.854], ['B', ' O ', 227.458, 233.621, 279.982], ['B', ' CB ', 227.554, 235.492, 282.696], ['B', ' CG1', 226.604, 236.122, 281.698], ['B', ' CG2', 226.958, 235.55, 284.089]]
[['B', ' N ', 229.572, 234.124, 280.57], ['B', ' CA ', 230.075, 234.058, 279.203], ['B', ' C ', 229.836, 232.697, 278.562], ['B', ' O ', 229.791, 232.603, 277.331], ['B', ' CB ', 231.568, 234.397, 279.201], ['B', ' CG ', 232.277, 234.216, 277.872], ['B', ' CD ', 233.786, 234.251, 278.051], ['B', ' NE ', 234.213, 233.565, 279.269], ['B', ' CZ ', 234.199, 232.246, 279.437], ['B', ' NH1', 233.783, 231.45, 278.461], ['B', ' NH2', 234.607, 231.721, 280.583]]
[['B', ' N ', 229.643, 231.648, 279.365], ['B', ' CA ', 229.49, 230.303, 278.825], ['B', ' C ', 228.223, 230.131, 277.992], ['B', ' O ', 228.108, 229.129, 277.279], ['B', ' CB ', 229.515, 229.281, 279.964], ['B', ' CG ', 230.003, 227.901, 279.545], ['B', ' CD ', 230.144, 226.949, 280.715], ['B', ' NE2', 230.676, 225.762, 280.451], ['B', ' OE1', 229.774, 227.273, 281.842]]
[['B', ' N ', 227.281, 231.065, 278.055], ['B', ' CA ', 226.102, 231.042, 277.192], ['B', ' C ', 226.415, 231.954, 276.011], ['B', ' O ', 226.134, 233.153, 276.025], ['B', ' CB ', 224.84, 231.473, 277.932], ['B', ' CG1', 224.77, 230.799, 279.302], ['B', ' CG2', 223.61, 231.142, 277.104], ['B', ' CD1', 223.448, 230.997, 280.007]]
[['B', ' N ', 227.003, 231.378, 274.973], ['B', ' CA ', 227.374, 232.091, 273.763], ['B', ' C ', 227.072, 231.2, 272.571], ['B', ' O ', 227.019, 229.973, 272.707], ['B', ' CB ', 228.857, 232.484, 273.776]]
[['B', ' N ', 226.872, 231.784, 271.385], ['B', ' CA ', 226.466, 230.966, 270.229], ['B', ' C ', 227.467, 229.885, 269.862], ['B', ' O ', 227.085, 228.905, 269.21], ['B', ' CB ', 226.314, 231.998, 269.101], ['B', ' CG ', 227.027, 233.217, 269.581], ['B', ' CD ', 226.884, 233.218, 271.06]]
[['B', ' N ', 228.73, 230.029, 270.254], ['B', ' CA ', 229.694, 228.956, 270.114], ['B', ' C ', 230.722, 228.999, 271.223], ['B', ' O ', 231.394, 230.016, 271.416]]
[['B', ' N ', 230.865, 227.895, 271.951], ['B', ' CA ', 231.744, 227.845, 273.109], ['B', ' C ', 232.229, 226.415, 273.299], ['B', ' O ', 231.849, 225.503, 272.558], ['B', ' CB ', 231.035, 228.352, 274.369], ['B', ' CG ', 231.137, 229.847, 274.59], ['B', ' CD ', 232.561, 230.35, 274.502], ['B', ' NE2', 233.389, 229.956, 275.461], ['B', ' OE1', 232.914, 231.086, 273.582]]
[['B', ' N ', 233.077, 226.226, 274.309], ['B', ' CA ', 233.601, 224.91, 274.674], ['B', ' C ', 233.69, 224.865, 276.195], ['B', ' O ', 234.639, 225.394, 276.782], ['B', ' CB ', 234.959, 224.649, 274.034], ['B', ' CG2', 234.805, 224.282, 272.565], ['B', ' OG1', 235.774, 225.822, 274.148]]
[['B', ' N ', 232.702, 224.24, 276.828], ['B', ' CA ', 232.685, 224.138, 278.275], ['B', ' C ', 231.806, 222.992, 278.719], ['B', ' O ', 231.056, 222.41, 277.932]]
[['B', ' N ', 231.915, 222.67, 280.011], ['B', ' CA ', 231.135, 221.567, 280.566], ['B', ' C ', 229.64, 221.837, 280.455], ['B', ' O ', 228.864, 220.942, 280.097], ['B', ' CB ', 231.534, 221.323, 282.021], ['B', ' CG ', 232.502, 220.169, 282.205], ['B', ' CD ', 231.752, 218.86, 282.38], ['B', ' CE ', 232.688, 217.668, 282.301], ['B', ' NZ ', 232.0, 216.408, 282.69]]
[['B', ' N ', 229.216, 223.063, 280.765], ['B', ' CA ', 227.829, 223.442, 280.524], ['B', ' C ', 227.532, 223.403, 279.034], ['B', ' O ', 226.465, 222.946, 278.607], ['B', ' CB ', 227.539, 224.828, 281.126], ['B', ' CG1', 227.872, 224.838, 282.618], ['B', ' CG2', 226.09, 225.212, 280.898], ['B', ' CD1', 227.222, 223.717, 283.395]]
[['B', ' N ', 228.476, 223.876, 278.218], ['B', ' CA ', 228.327, 223.805, 276.772], ['B', ' C ', 228.376, 222.376, 276.252], ['B', ' O ', 227.995, 222.136, 275.101], ['B', ' CB ', 229.41, 224.642, 276.091]]
[['B', ' N ', 228.834, 221.425, 277.063], ['B', ' CA ', 228.94, 220.035, 276.637], ['B', ' C ', 227.744, 219.187, 277.044], ['B', ' O ', 227.246, 218.403, 276.231], ['B', ' CB ', 230.218, 219.404, 277.199], ['B', ' CG ', 231.445, 219.75, 276.382], ['B', ' OD1', 231.31, 219.931, 275.155], ['B', ' OD2', 232.544, 219.84, 276.966]]
[['B', ' N ', 227.264, 219.324, 278.282], ['B', ' CA ', 226.228, 218.433, 278.787], ['B', ' C ', 225.058, 219.155, 279.447], ['B', ' O ', 224.202, 218.491, 280.043], ['B', ' CB ', 226.821, 217.429, 279.785], ['B', ' CG ', 228.043, 216.686, 279.291], ['B', ' CD1', 227.984, 215.895, 278.152], ['B', ' CD2', 229.247, 216.755, 279.979], ['B', ' CE1', 229.094, 215.205, 277.703], ['B', ' CE2', 230.362, 216.068, 279.538], ['B', ' CZ ', 230.279, 215.295, 278.4], ['B', ' OH ', 231.384, 214.61, 277.954]]
[['B', ' N ', 224.984, 220.481, 279.366], ['B', ' CA ', 223.946, 221.172, 280.122], ['B', ' C ', 223.126, 222.14, 279.278], ['B', ' O ', 221.932, 222.321, 279.537], ['B', ' CB ', 224.573, 221.902, 281.308], ['B', ' CG ', 225.358, 220.97, 282.211], ['B', ' ND2', 226.608, 220.708, 281.848], ['B', ' OD1', 224.844, 220.483, 283.217]]
[['B', ' N ', 223.739, 222.759, 278.271], ['B', ' CA ', 223.018, 223.715, 277.44], ['B', ' C ', 223.87, 224.037, 276.223], ['B', ' O ', 225.096, 223.906, 276.264], ['B', ' CB ', 222.693, 224.995, 278.22], ['B', ' CG ', 221.808, 225.964, 277.48], ['B', ' CD1', 220.442, 225.745, 277.386], ['B', ' CD2', 222.332, 227.097, 276.881], ['B', ' CE1', 219.623, 226.625, 276.716], ['B', ' CE2', 221.52, 227.983, 276.207], ['B', ' CZ ', 220.167, 227.742, 276.128], ['B', ' OH ', 219.353, 228.622, 275.454]]
[['B', ' N ', 223.213, 224.458, 275.143], ['B', ' CA ', 223.93, 224.795, 273.921], ['B', ' C ', 223.045, 225.673, 273.049], ['B', ' O ', 221.836, 225.772, 273.262], ['B', ' CB ', 224.369, 223.535, 273.168], ['B', ' CG ', 225.526, 223.759, 272.208], ['B', ' CD ', 226.78, 224.189, 272.948], ['B', ' CE ', 227.954, 224.317, 271.999], ['B', ' NZ ', 229.152, 224.875, 272.678]]
[['B', ' N ', 223.671, 226.31, 272.064], ['B', ' CA ', 223.029, 227.262, 271.175], ['B', ' C ', 223.32, 226.917, 269.723], ['B', ' O ', 224.365, 226.337, 269.415], ['B', ' CB ', 223.512, 228.687, 271.463], ['B', ' CG ', 222.829, 229.345, 272.653], ['B', ' CD1', 223.231, 230.798, 272.756], ['B', ' CD2', 221.328, 229.21, 272.528]]
[['B', ' N ', 222.414, 227.272, 268.805], ['B', ' CA ', 222.639, 226.968, 267.385], ['B', ' C ', 223.606, 227.928, 266.707], ['B', ' O ', 224.25, 228.748, 267.369], ['B', ' CB ', 221.235, 227.059, 266.776], ['B', ' CG ', 220.448, 227.898, 267.705], ['B', ' CD ', 221.113, 227.915, 269.046]]
[['B', ' N ', 223.718, 227.812, 265.38], ['B', ' CA ', 224.74, 228.538, 264.629], ['B', ' C ', 224.598, 230.047, 264.794], ['B', ' O ', 225.473, 230.709, 265.362], ['B', ' CB ', 224.665, 228.153, 263.15], ['B', ' CG ', 225.86, 228.646, 262.354], ['B', ' OD1', 226.793, 229.212, 262.961], ['B', ' OD2', 225.864, 228.473, 261.117]]
[['B', ' N ', 223.501, 230.614, 264.297], ['B', ' CA ', 223.336, 232.061, 264.295], ['B', ' C ', 222.651, 232.588, 265.545], ['B', ' O ', 223.091, 233.598, 266.099], ['B', ' CB ', 222.549, 232.505, 263.061], ['B', ' CG ', 222.774, 233.968, 262.724], ['B', ' OD1', 222.316, 234.838, 263.494], ['B', ' OD2', 223.419, 234.245, 261.69]]
[['B', ' N ', 221.584, 231.931, 265.995], ['B', ' CA ', 220.878, 232.294, 267.223], ['B', ' C ', 220.482, 233.775, 267.211], ['B', ' O ', 220.982, 234.606, 267.966], ['B', ' CB ', 221.722, 231.93, 268.449], ['B', ' CG ', 221.249, 232.559, 269.724], ['B', ' CD1', 219.942, 232.418, 270.14], ['B', ' CD2', 222.116, 233.312, 270.497], ['B', ' CE1', 219.514, 233.009, 271.31], ['B', ' CE2', 221.693, 233.902, 271.667], ['B', ' CZ ', 220.391, 233.75, 272.074]]
[['B', ' N ', 219.587, 234.096, 266.287], ['B', ' CA ', 218.96, 235.41, 266.302], ['B', ' C ', 218.055, 235.499, 267.525], ['B', ' O ', 217.123, 234.705, 267.682], ['B', ' CB ', 218.2, 235.655, 265.001], ['B', ' CG2', 217.254, 234.502, 264.672], ['B', ' OG1', 217.481, 236.892, 265.084]]
[['B', ' N ', 218.348, 236.444, 268.41], ['B', ' CA ', 217.719, 236.494, 269.716], ['B', ' C ', 218.801, 236.623, 270.761], ['B', ' O ', 219.978, 236.514, 270.409]]
[['B', ' N ', 218.465, 236.836, 272.031], ['B', ' CA ', 219.531, 237.149, 272.972], ['B', ' C ', 219.143, 236.816, 274.405], ['B', ' O ', 218.084, 236.247, 274.682], ['B', ' CB ', 219.949, 238.607, 272.838], ['B', ' SG ', 218.724, 239.874, 273.125]]
[['B', ' N ', 220.039, 237.205, 275.317], ['B', ' CA ', 220.14, 236.667, 276.665], ['B', ' C ', 220.343, 237.811, 277.647], ['B', ' O ', 221.015, 238.801, 277.346], ['B', ' CB ', 221.299, 235.653, 276.758], ['B', ' CG1', 222.619, 236.326, 276.425], ['B', ' CG2', 221.361, 235.035, 278.128]]
[['B', ' N ', 219.747, 237.677, 278.826], ['B', ' CA ', 219.842, 238.683, 279.874], ['B', ' C ', 220.265, 238.0, 281.165], ['B', ' O ', 219.77, 236.916, 281.492], ['B', ' CB ', 218.505, 239.42, 280.077], ['B', ' CG1', 217.893, 239.813, 278.734], ['B', ' CG2', 218.71, 240.646, 280.94], ['B', ' CD1', 216.399, 240.056, 278.799]]
[['B', ' N ', 221.174, 238.635, 281.904], ['B', ' CA ', 221.66, 238.103, 283.171], ['B', ' C ', 221.605, 239.183, 284.24], ['B', ' O ', 222.04, 240.314, 284.006], ['B', ' CB ', 223.09, 237.573, 283.038]]
[['B', ' N ', 221.074, 238.831, 285.411], ['B', ' CA ', 221.055, 239.731, 286.555], ['B', ' C ', 221.368, 238.942, 287.819], ['B', ' O ', 221.09, 237.742, 287.904], ['B', ' CB ', 219.704, 240.452, 286.688], ['B', ' CG ', 218.592, 239.608, 287.229], ['B', ' CD1', 218.314, 239.364, 288.541], ['B', ' CD2', 217.59, 238.92, 286.475], ['B', ' CE2', 216.746, 238.27, 287.396], ['B', ' CE3', 217.326, 238.787, 285.111], ['B', ' NE1', 217.211, 238.556, 288.651], ['B', ' CZ2', 215.659, 237.5, 286.997], ['B', ' CZ3', 216.243, 238.018, 284.715], ['B', ' CH2', 215.424, 237.386, 285.655]]
[['B', ' N ', 221.95, 239.629, 288.8], ['B', ' CA ', 222.353, 238.978, 290.04], ['B', ' C ', 221.142, 238.589, 290.878], ['B', ' O ', 220.175, 239.347, 290.996], ['B', ' CB ', 223.272, 239.89, 290.847], ['B', ' CG ', 223.743, 239.246, 292.131], ['B', ' ND2', 223.8, 240.029, 293.2], ['B', ' OD1', 224.055, 238.056, 292.163]]
[['B', ' N ', 221.21, 237.4, 291.479], ['B', ' CA ', 220.093, 236.84, 292.225], ['B', ' C ', 220.441, 236.437, 293.651], ['B', ' O ', 219.629, 235.767, 294.3], ['B', ' CB ', 219.525, 235.621, 291.489], ['B', ' OG ', 218.327, 235.172, 292.098]]
[['B', ' N ', 221.612, 236.815, 294.16], ['B', ' CA ', 222.008, 236.458, 295.522], ['B', ' C ', 221.402, 237.436, 296.531], ['B', ' O ', 222.085, 238.046, 297.354], ['B', ' CB ', 223.524, 236.414, 295.638], ['B', ' CG ', 223.99, 235.643, 296.852], ['B', ' ND2', 224.526, 236.356, 297.834], ['B', ' OD1', 223.864, 234.421, 296.911]]
[['B', ' N ', 220.082, 237.578, 296.446], ['B', ' CA ', 219.342, 238.436, 297.36], ['B', ' C ', 218.072, 237.801, 297.899], ['B', ' O ', 217.524, 238.315, 298.878], ['B', ' CB ', 218.985, 239.76, 296.671], ['B', ' CG ', 218.449, 239.557, 295.269], ['B', ' ND2', 218.133, 240.654, 294.589], ['B', ' OD1', 218.322, 238.426, 294.8]]
[['B', ' N ', 217.59, 236.721, 297.313], ['B', ' CA ', 216.384, 236.048, 297.778], ['B', ' C ', 216.592, 234.561, 298.015], ['B', ' O ', 215.975, 233.997, 298.922], ['B', ' CB ', 215.245, 236.265, 296.766], ['B', ' CG ', 213.963, 235.452, 296.955], ['B', ' CD1', 213.291, 235.806, 298.272], ['B', ' CD2', 213.013, 235.669, 295.79]]
[['B', ' N ', 217.454, 233.913, 297.233], ['B', ' CA ', 217.645, 232.471, 297.306], ['B', ' C ', 219.061, 232.093, 297.731], ['B', ' O ', 219.6, 231.082, 297.277], ['B', ' CB ', 217.304, 231.824, 295.965], ['B', ' CG ', 215.907, 232.168, 295.494], ['B', ' OD1', 215.043, 232.444, 296.353], ['B', ' OD2', 215.672, 232.164, 294.268]]
[['B', ' N ', 219.68, 232.901, 298.594], ['B', ' CA ', 220.992, 232.54, 299.124], ['B', ' C ', 220.907, 231.278, 299.976], ['B', ' O ', 221.731, 230.366, 299.835], ['B', ' CB ', 221.572, 233.702, 299.932], ['B', ' OG ', 222.91, 233.439, 300.315]]
[['B', ' N ', 219.903, 231.203, 300.851], ['B', ' CA ', 219.649, 230.044, 301.708], ['B', ' C ', 220.916, 229.636, 302.467], ['B', ' O ', 221.511, 228.583, 302.238], ['B', ' CB ', 219.083, 228.877, 300.893], ['B', ' CG ', 218.14, 227.98, 301.682], ['B', ' CD ', 218.858, 226.762, 302.237], ['B', ' CE ', 217.896, 225.835, 302.959], ['B', ' NZ ', 218.59, 224.64, 303.509]]
[['B', ' N ', 221.322, 230.537, 303.366], ['B', ' CA ', 222.55, 230.349, 304.128], ['B', ' C ', 222.519, 229.018, 304.867], ['B', ' O ', 221.481, 228.593, 305.387], ['B', ' CB ', 222.75, 231.526, 305.099], ['B', ' CG1', 222.966, 232.814, 304.325], ['B', ' CG2', 221.551, 231.662, 306.028]]
[['B', ' N ', 223.67, 228.348, 304.904], ['B', ' CA ', 223.788, 227.077, 305.593], ['B', ' C ', 223.144, 225.918, 304.861], ['B', ' O ', 222.156, 225.351, 305.338]]
[['B', ' N ', 223.692, 225.552, 303.704], ['B', ' CA ', 223.11, 224.489, 302.907], ['B', ' C ', 222.846, 224.895, 301.472], ['B', ' O ', 223.785, 225.109, 300.699]]
[['B', ' N ', 221.565, 224.98, 301.107], ['B', ' CA ', 221.133, 225.421, 299.779], ['B', ' C ', 221.577, 224.434, 298.697], ['B', ' O ', 222.245, 224.793, 297.725], ['B', ' CB ', 221.639, 226.837, 299.483], ['B', ' CG ', 220.974, 227.458, 298.273], ['B', ' ND2', 221.343, 228.696, 297.968], ['B', ' OD1', 220.134, 226.837, 297.623]]
[['B', ' N ', 221.202, 223.173, 298.88], ['B', ' CA ', 221.41, 222.139, 297.866], ['B', ' C ', 220.127, 221.908, 297.069], ['B', ' O ', 219.539, 220.827, 297.075], ['B', ' CB ', 221.893, 220.847, 298.519], ['B', ' CG ', 223.372, 220.817, 298.829], ['B', ' CD1', 224.292, 220.414, 297.872], ['B', ' CD2', 223.847, 221.186, 300.08], ['B', ' CE1', 225.645, 220.379, 298.15], ['B', ' CE2', 225.199, 221.157, 300.368], ['B', ' CZ ', 226.093, 220.753, 299.399], ['B', ' OH ', 227.439, 220.724, 299.683]]
[['B', ' N ', 219.69, 222.956, 296.372], ['B', ' CA ', 218.496, 222.895, 295.539], ['B', ' C ', 218.811, 223.04, 294.057], ['B', ' O ', 217.888, 223.169, 293.247], ['B', ' CB ', 217.496, 223.971, 295.965], ['B', ' CG ', 216.89, 223.695, 297.323], ['B', ' ND2', 217.135, 224.589, 298.273], ['B', ' OD1', 216.208, 222.69, 297.517]]
[['B', ' N ', 220.087, 223.026, 293.682], ['B', ' CA ', 220.486, 223.272, 292.305], ['B', ' C ', 221.643, 222.358, 291.938], ['B', ' O ', 222.636, 222.286, 292.666], ['B', ' CB ', 220.868, 224.743, 292.109], ['B', ' CG ', 219.851, 225.699, 292.695], ['B', ' CD1', 218.691, 226.019, 292.006], ['B', ' CD2', 220.039, 226.258, 293.951], ['B', ' CE1', 217.755, 226.884, 292.542], ['B', ' CE2', 219.11, 227.123, 294.495], ['B', ' CZ ', 217.97, 227.432, 293.787], ['B', ' OH ', 217.043, 228.293, 294.327]]
[['B', ' N ', 221.51, 221.662, 290.812], ['B', ' CA ', 222.48, 220.664, 290.389], ['B', ' C ', 222.771, 220.826, 288.904], ['B', ' O ', 221.957, 221.355, 288.144], ['B', ' CB ', 221.976, 219.24, 290.672], ['B', ' CG ', 221.429, 218.948, 292.072], ['B', ' CD1', 219.918, 219.13, 292.117], ['B', ' CD2', 221.812, 217.548, 292.523]]
[['B', ' N ', 223.951, 220.363, 288.494], ['B', ' CA ', 224.328, 220.336, 287.089], ['B', ' C ', 224.922, 218.977, 286.748], ['B', ' O ', 225.482, 218.291, 287.606], ['B', ' CB ', 225.317, 221.458, 286.736], ['B', ' CG ', 226.666, 221.358, 287.403], ['B', ' CD1', 226.872, 221.871, 288.674], ['B', ' CD2', 227.741, 220.77, 286.752], ['B', ' CE1', 228.106, 221.791, 289.284], ['B', ' CE2', 228.98, 220.685, 287.355], ['B', ' CZ ', 229.156, 221.197, 288.621], ['B', ' OH ', 230.388, 221.114, 289.227]]
[['B', ' N ', 224.79, 218.596, 285.48], ['B', ' CA ', 225.16, 217.258, 285.045], ['B', ' C ', 226.671, 217.117, 284.916], ['B', ' O ', 227.358, 218.019, 284.429], ['B', ' CB ', 224.488, 216.928, 283.712], ['B', ' CG ', 224.791, 215.533, 283.195], ['B', ' CD ', 224.197, 215.311, 281.815], ['B', ' NE ', 222.739, 215.393, 281.83], ['B', ' CZ ', 221.94, 214.417, 282.25], ['B', ' NH1', 222.455, 213.278, 282.69], ['B', ' NH2', 220.624, 214.58, 282.228]]
[['B', ' N ', 227.18, 215.973, 285.361], ['B', ' CA ', 228.595, 215.64, 285.286], ['B', ' C ', 228.862, 214.882, 283.983], ['B', ' O ', 228.055, 214.931, 283.051], ['B', ' CB ', 229.008, 214.855, 286.535], ['B', ' CG ', 230.447, 215.045, 287.015], ['B', ' CD1', 230.73, 216.514, 287.281], ['B', ' CD2', 230.708, 214.209, 288.258]]
[['B', ' N ', 230.014, 214.214, 283.899], ['B', ' CA ', 230.437, 213.449, 282.729], ['B', ' C ', 229.288, 212.677, 282.093], ['B', ' O ', 228.529, 211.988, 282.779], ['B', ' CB ', 231.545, 212.472, 283.133], ['B', ' CG ', 232.915, 213.085, 283.183], ['B', ' CD1', 233.522, 213.559, 282.032], ['B', ' CD2', 233.601, 213.179, 284.383], ['B', ' CE1', 234.786, 214.119, 282.077], ['B', ' CE2', 234.864, 213.738, 284.435], ['B', ' CZ ', 235.457, 214.209, 283.28]]
[['B', ' N ', 229.165, 212.804, 280.772], ['B', ' CA ', 228.187, 212.056, 279.995], ['B', ' C ', 228.873, 211.505, 278.753], ['B', ' O ', 229.924, 211.994, 278.334], ['B', ' CB ', 226.98, 212.924, 279.607], ['B', ' CG ', 225.727, 212.134, 279.252], ['B', ' CD ', 224.548, 213.052, 278.961], ['B', ' NE ', 224.695, 213.755, 277.689], ['B', ' CZ ', 224.187, 213.33, 276.536], ['B', ' NH1', 223.491, 212.203, 276.491], ['B', ' NH2', 224.372, 214.035, 275.429]]
[['B', ' N ', 228.263, 210.469, 278.169], ['B', ' CA ', 228.88, 209.766, 277.047], ['B', ' C ', 229.114, 210.7, 275.865], ['B', ' O ', 230.257, 210.943, 275.462], ['B', ' CB ', 228.007, 208.582, 276.627], ['B', ' CG ', 227.797, 207.54, 277.711], ['B', ' CD ', 226.535, 206.735, 277.459], ['B', ' CE ', 226.716, 205.794, 276.28], ['B', ' NZ ', 226.235, 204.42, 276.588]]
[['B', ' N ', 228.04, 211.231, 275.294], ['B', ' CA ', 228.121, 212.116, 274.144], ['B', ' C ', 227.753, 213.537, 274.546], ['B', ' O ', 227.118, 213.773, 275.577], ['B', ' CB ', 227.203, 211.634, 273.015], ['B', ' OG ', 227.612, 210.366, 272.534]]
[['B', ' N ', 228.159, 214.487, 273.71], ['B', ' CA ', 227.868, 215.893, 273.95], ['B', ' C ', 226.394, 216.163, 273.647], ['B', ' O ', 225.614, 215.25, 273.363], ['B', ' CB ', 228.809, 216.77, 273.129], ['B', ' CG ', 228.858, 216.364, 271.672], ['B', ' ND2', 229.723, 217.017, 270.906], ['B', ' OD1', 228.13, 215.472, 271.239]]
[['B', ' N ', 225.991, 217.427, 273.708], ['B', ' CA ', 224.595, 217.807, 273.558], ['B', ' C ', 224.364, 218.5, 272.221], ['B', ' O ', 225.294, 218.766, 271.456], ['B', ' CB ', 224.155, 218.712, 274.714], ['B', ' CG ', 223.555, 217.982, 275.916], ['B', ' CD1', 222.845, 218.96, 276.836], ['B', ' CD2', 222.608, 216.885, 275.458]]
[['B', ' N ', 223.1, 218.789, 271.952], ['B', ' CA ', 222.641, 219.382, 270.708], ['B', ' C ', 221.762, 220.584, 271.011], ['B', ' O ', 221.259, 220.726, 272.131], ['B', ' CB ', 221.866, 218.358, 269.864], ['B', ' CG ', 222.629, 217.072, 269.609], ['B', ' CD ', 221.937, 216.209, 268.572], ['B', ' CE ', 222.922, 215.256, 267.92], ['B', ' NZ ', 224.193, 215.945, 267.564]]
[['B', ' N ', 221.582, 221.491, 270.033], ['B', ' CA ', 220.766, 222.695, 270.257], ['B', ' C ', 219.438, 222.454, 270.959], ['B', ' O ', 218.561, 221.757, 270.44], ['B', ' CB ', 220.534, 223.221, 268.836], ['B', ' CG ', 221.682, 222.691, 268.024], ['B', ' CD ', 222.364, 221.587, 268.788]]
[['B', ' N ', 219.296, 223.044, 272.147], ['B', ' CA ', 218.045, 223.037, 272.905], ['B', ' C ', 217.549, 221.619, 273.178], ['B', ' O ', 216.35, 221.341, 273.127], ['B', ' CB ', 216.968, 223.853, 272.191], ['B', ' CG ', 217.36, 225.275, 271.924], ['B', ' CD1', 217.443, 226.188, 272.957], ['B', ' CD2', 217.632, 225.7, 270.64], ['B', ' CE1', 217.795, 227.494, 272.715], ['B', ' CE2', 217.985, 227.005, 270.394], ['B', ' CZ ', 218.067, 227.903, 271.433]]
[['B', ' N ', 218.473, 220.714, 273.476], ['B', ' CA ', 218.105, 219.356, 273.837], ['B', ' C ', 218.053, 219.207, 275.351], ['B', ' O ', 218.915, 219.709, 276.076], ['B', ' CB ', 219.088, 218.346, 273.246], ['B', ' CG ', 218.615, 216.897, 273.3], ['B', ' CD ', 217.223, 216.698, 272.727], ['B', ' OE1', 217.119, 216.293, 271.551], ['B', ' OE2', 216.233, 216.919, 273.455]]
[['B', ' N ', 217.024, 218.509, 275.823], ['B', ' CA ', 216.796, 218.304, 277.248], ['B', ' C ', 216.823, 216.814, 277.543], ['B', ' O ', 216.122, 216.038, 276.886], ['B', ' CB ', 215.46, 218.906, 277.686], ['B', ' CG ', 215.221, 218.847, 279.181], ['B', ' CD ', 214.163, 219.844, 279.599], ['B', ' NE ', 213.974, 219.861, 281.046], ['B', ' CZ ', 212.894, 219.393, 281.663], ['B', ' NH1', 211.899, 218.873, 280.959], ['B', ' NH2', 212.807, 219.45, 282.984]]
[['B', ' N ', 217.625, 216.417, 278.525], ['B', ' CA ', 217.694, 215.033, 278.971], ['B', ' C ', 217.556, 214.987, 280.485], ['B', ' O ', 218.263, 215.705, 281.199], ['B', ' CB ', 219.005, 214.375, 278.538], ['B', ' CG ', 219.255, 213.06, 279.247], ['B', ' OD1', 218.405, 212.151, 279.134], ['B', ' OD2', 220.299, 212.935, 279.92]]
[['B', ' N ', 216.649, 214.142, 280.966], ['B', ' CA ', 216.404, 213.972, 282.391], ['B', ' C ', 216.74, 212.546, 282.833], ['B', ' O ', 216.757, 212.243, 284.021], ['B', ' CB ', 214.951, 214.354, 282.74], ['B', ' CG1', 214.637, 215.753, 282.215], ['B', ' CG2', 214.718, 214.368, 284.244], ['B', ' CD1', 215.505, 216.837, 282.811]]
[['B', ' N ', 217.062, 211.674, 281.877], ['B', ' CA ', 217.295, 210.259, 282.163], ['B', ' C ', 218.628, 210.117, 282.893], ['B', ' O ', 219.662, 209.768, 282.32], ['B', ' CB ', 217.265, 209.442, 280.878], ['B', ' OG ', 218.202, 209.936, 279.937]]
[['B', ' N ', 218.59, 210.395, 284.191], ['B', ' CA ', 219.742, 210.264, 285.07], ['B', ' C ', 219.601, 209.002, 285.914], ['B', ' O ', 218.64, 208.24, 285.777], ['B', ' CB ', 219.894, 211.502, 285.955], ['B', ' CG2', 219.884, 212.767, 285.11], ['B', ' OG1', 218.817, 211.553, 286.898]]
[['B', ' N ', 220.609, 208.771, 286.761], ['B', ' CA ', 220.706, 207.657, 287.707], ['B', ' C ', 220.482, 206.299, 287.044], ['B', ' O ', 220.272, 205.295, 287.731], ['B', ' CB ', 219.745, 207.841, 288.896], ['B', ' CG ', 218.264, 207.586, 288.64], ['B', ' CD ', 217.449, 208.864, 288.593], ['B', ' OE1', 216.232, 208.804, 288.869], ['B', ' OE2', 218.024, 209.93, 288.288]]
[['B', ' N ', 220.538, 206.253, 285.714], ['B', ' CA ', 220.453, 204.991, 284.983], ['B', ' C ', 221.572, 204.81, 283.972], ['B', ' O ', 221.831, 203.671, 283.542], ['B', ' CB ', 219.079, 204.853, 284.288], ['B', ' CG1', 218.912, 205.931, 283.215], ['B', ' CG2', 217.95, 204.914, 285.305], ['B', ' CD1', 217.815, 205.631, 282.215]]
[['B', ' N ', 222.258, 205.868, 283.556], ['B', ' CA ', 223.407, 205.751, 282.674], ['B', ' C ', 224.692, 205.702, 283.492], ['B', ' O ', 224.719, 206.073, 284.669], ['B', ' CB ', 223.442, 206.91, 281.675], ['B', ' CG ', 223.727, 208.266, 282.283], ['B', ' CD1', 222.724, 208.985, 282.921], ['B', ' CD2', 224.99, 208.838, 282.199], ['B', ' CE1', 222.973, 210.224, 283.472], ['B', ' CE2', 225.248, 210.081, 282.746], ['B', ' CZ ', 224.235, 210.769, 283.382], ['B', ' OH ', 224.484, 212.006, 283.929]]
[['B', ' N ', 225.76, 205.233, 282.854], ['B', ' CA ', 226.985, 204.915, 283.573], ['B', ' C ', 227.63, 206.162, 284.167], ['B', ' O ', 227.675, 207.223, 283.539], ['B', ' CB ', 227.975, 204.208, 282.645], ['B', ' CG ', 228.29, 204.964, 281.362], ['B', ' CD ', 229.521, 205.843, 281.487], ['B', ' NE2', 229.485, 207.007, 280.852], ['B', ' OE1', 230.491, 205.479, 282.15]]
[['B', ' N ', 228.112, 206.026, 285.404], ['B', ' CA ', 229.028, 206.98, 286.03], ['B', ' C ', 230.164, 206.146, 286.622], ['B', ' O ', 230.151, 205.801, 287.806], ['B', ' CB ', 228.323, 207.83, 287.081]]
[['B', ' N ', 231.151, 205.826, 285.788], ['B', ' CA ', 232.236, 204.946, 286.155], ['B', ' C ', 232.366, 203.823, 285.149], ['B', ' O ', 231.913, 203.93, 284.005]]
[['B', ' N ', 232.992, 202.731, 285.582], ['B', ' CA ', 233.238, 201.574, 284.724], ['B', ' C ', 232.873, 200.29, 285.462], ['B', ' O ', 233.637, 199.324, 285.496], ['B', ' CB ', 234.691, 201.544, 284.254], ['B', ' OG ', 235.568, 201.247, 285.326]]
[['B', ' N ', 231.693, 200.269, 286.065], ['B', ' CA ', 231.245, 199.161, 286.892], ['B', ' C ', 229.863, 198.694, 286.466], ['B', ' O ', 229.094, 199.455, 285.871], ['B', ' CB ', 231.218, 199.56, 288.376], ['B', ' CG2', 232.625, 199.82, 288.881], ['B', ' OG1', 230.421, 200.74, 288.544]]
[['B', ' N ', 229.518, 197.433, 286.76], ['B', ' CA ', 228.155, 196.945, 286.494], ['B', ' C ', 227.151, 197.432, 287.529], ['B', ' O ', 226.062, 196.864, 287.661], ['B', ' CB ', 228.303, 195.417, 286.542], ['B', ' CG ', 229.77, 195.14, 286.507], ['B', ' CD ', 230.451, 196.339, 287.074]]
[['B', ' N ', 227.526, 198.476, 288.27], ['B', ' CA ', 226.791, 199.003, 289.415], ['B', ' C ', 225.282, 199.054, 289.221], ['B', ' O ', 224.54, 198.353, 289.916], ['B', ' CB ', 227.314, 200.41, 289.703], ['B', ' SG ', 226.338, 201.399, 290.823]]
[['B', ' N ', 224.829, 199.902, 288.302], ['B', ' CA ', 223.48, 199.893, 287.742], ['B', ' C ', 222.383, 200.328, 288.716], ['B', ' O ', 221.289, 200.696, 288.278], ['B', ' CB ', 223.166, 198.486, 287.216], ['B', ' CG ', 221.969, 198.45, 286.287], ['B', ' ND2', 221.577, 197.247, 285.884], ['B', ' OD1', 221.396, 199.482, 285.942]]
[['B', ' N ', 222.642, 200.33, 290.025], ['B', ' CA ', 221.636, 200.878, 290.917], ['B', ' C ', 222.043, 201.491, 292.244], ['B', ' O ', 221.192, 202.079, 292.92]]
[['B', ' N ', 223.317, 201.402, 292.631], ['B', ' CA ', 223.73, 201.792, 293.98], ['B', ' C ', 225.146, 202.357, 293.984], ['B', ' O ', 226.113, 201.649, 293.685], ['B', ' CB ', 223.611, 200.615, 294.975], ['B', ' CG1', 222.156, 200.264, 295.252], ['B', ' CG2', 224.322, 199.377, 294.439]]
[['B', ' N ', 225.282, 203.627, 294.365], ['B', ' CA ', 226.588, 204.274, 294.365], ['B', ' C ', 227.561, 203.522, 295.267], ['B', ' O ', 227.227, 203.155, 296.397], ['B', ' CB ', 226.458, 205.731, 294.814], ['B', ' CG ', 225.848, 205.92, 296.196], ['B', ' CD ', 224.337, 206.015, 296.162], ['B', ' OE1', 223.745, 205.705, 295.107], ['B', ' OE2', 223.741, 206.396, 297.191]]
[['B', ' N ', 228.763, 203.277, 294.753], ['B', ' CA ', 229.768, 202.54, 295.493], ['B', ' C ', 231.113, 203.235, 295.514], ['B', ' O ', 231.186, 204.46, 295.376]]
[['B', ' N ', 232.188, 202.464, 295.692], ['B', ' CA ', 233.522, 203.055, 295.693], ['B', ' C ', 233.907, 203.532, 294.298], ['B', ' O ', 234.414, 204.648, 294.129], ['B', ' CB ', 234.545, 202.049, 296.222], ['B', ' CG ', 235.971, 202.471, 296.013], ['B', ' CD1', 236.461, 203.617, 296.617], ['B', ' CD2', 236.82, 201.725, 295.214], ['B', ' CE1', 237.772, 204.012, 296.429], ['B', ' CE2', 238.133, 202.115, 295.022], ['B', ' CZ ', 238.609, 203.26, 295.63]]
[['B', ' N ', 233.674, 202.7, 293.284], ['B', ' CA ', 233.908, 203.091, 291.9], ['B', ' C ', 232.644, 203.652, 291.257], ['B', ' O ', 232.708, 204.62, 290.494], ['B', ' CB ', 234.434, 201.899, 291.097], ['B', ' CG ', 235.939, 201.752, 291.191], ['B', ' ND2', 236.417, 200.515, 291.135], ['B', ' OD1', 236.664, 202.739, 291.311]]
[['B', ' N ', 231.491, 203.051, 291.552], ['B', ' CA ', 230.206, 203.586, 291.12], ['B', ' C ', 229.921, 204.884, 291.865], ['B', ' O ', 229.584, 204.86, 293.053], ['B', ' CB ', 229.097, 202.556, 291.361], ['B', ' SG ', 227.411, 203.116, 291.013]]
[['B', ' N ', 230.048, 206.022, 291.18], ['B', ' CA ', 229.957, 207.314, 291.852], ['B', ' C ', 228.89, 208.21, 291.231], ['B', ' O ', 228.091, 207.758, 290.404], ['B', ' CB ', 231.32, 208.016, 291.849], ['B', ' CG ', 231.818, 208.447, 290.486], ['B', ' CD1', 232.459, 207.548, 289.644], ['B', ' CD2', 231.672, 209.758, 290.053], ['B', ' CE1', 232.922, 207.936, 288.404], ['B', ' CE2', 232.134, 210.156, 288.814], ['B', ' CZ ', 232.758, 209.241, 287.993], ['B', ' OH ', 233.22, 209.632, 286.758]]
[['B', ' N ', 228.873, 209.476, 291.634], ['B', ' CA ', 227.772, 210.381, 291.326], ['B', ' C ', 227.665, 210.655, 289.83], ['B', ' O ', 228.642, 211.115, 289.22], ['B', ' CB ', 227.96, 211.694, 292.079], ['B', ' CG ', 228.278, 211.519, 293.535], ['B', ' CD1', 227.264, 211.361, 294.465], ['B', ' CD2', 229.591, 211.515, 293.976], ['B', ' CE1', 227.553, 211.201, 295.806], ['B', ' CE2', 229.886, 211.354, 295.315], ['B', ' CZ ', 228.866, 211.197, 296.231]]
[['B', ' N ', 226.514, 210.389, 289.204], ['B', ' CA ', 226.335, 210.823, 287.808], ['B', ' C ', 226.252, 212.33, 287.66], ['B', ' O ', 226.529, 212.855, 286.574], ['B', ' CB ', 225.024, 210.138, 287.393], ['B', ' CG ', 224.789, 209.066, 288.419], ['B', ' CD ', 225.376, 209.592, 289.686]]
[['B', ' N ', 225.868, 213.043, 288.718], ['B', ' CA ', 225.692, 214.488, 288.68], ['B', ' C ', 226.223, 215.103, 289.969], ['B', ' O ', 226.494, 214.406, 290.95], ['B', ' CB ', 224.22, 214.877, 288.488], ['B', ' CG ', 223.308, 214.788, 289.714], ['B', ' CD1', 222.021, 215.553, 289.46], ['B', ' CD2', 223.006, 213.346, 290.097]]
[['B', ' N ', 226.363, 216.428, 289.958], ['B', ' CA ', 226.943, 217.166, 291.07], ['B', ' C ', 226.043, 218.338, 291.44], ['B', ' O ', 225.19, 218.763, 290.659], ['B', ' CB ', 228.352, 217.667, 290.726], ['B', ' CG ', 229.279, 217.794, 291.918], ['B', ' CD ', 229.348, 219.21, 292.446], ['B', ' NE2', 229.621, 219.348, 293.737], ['B', ' OE1', 229.156, 220.171, 291.703]]
[['B', ' N ', 226.243, 218.855, 292.653], ['B', ' CA ', 225.451, 219.959, 293.176], ['B', ' C ', 226.366, 220.983, 293.834], ['B', ' O ', 227.468, 220.657, 294.28], ['B', ' CB ', 224.404, 219.472, 294.183], ['B', ' OG ', 225.026, 218.893, 295.316]]
[['B', ' N ', 225.891, 222.229, 293.897], ['B', ' CA ', 226.715, 223.321, 294.407], ['B', ' C ', 226.707, 223.38, 295.932], ['B', ' O ', 227.749, 223.213, 296.575], ['B', ' CB ', 226.24, 224.654, 293.826], ['B', ' CG ', 226.489, 224.806, 292.345], ['B', ' CD1', 227.753, 225.119, 291.866], ['B', ' CD2', 225.462, 224.643, 291.427], ['B', ' CE1', 227.989, 225.262, 290.514], ['B', ' CE2', 225.687, 224.785, 290.074], ['B', ' CZ ', 226.953, 225.094, 289.623], ['B', ' OH ', 227.185, 225.235, 288.275]]
[['B', ' N ', 225.54, 223.616, 296.528], ['B', ' CA ', 225.47, 223.852, 297.958], ['B', ' C ', 225.893, 225.26, 298.327], ['B', ' O ', 226.905, 225.456, 299.006]]
[['B', ' N ', 225.12, 226.247, 297.879], ['B', ' CA ', 225.53, 227.644, 297.968], ['B', ' C ', 225.612, 228.124, 299.413], ['B', ' O ', 224.712, 227.871, 300.22], ['B', ' CB ', 224.557, 228.518, 297.179], ['B', ' CG ', 224.462, 228.165, 295.723], ['B', ' CD1', 225.508, 228.442, 294.861], ['B', ' CD2', 223.325, 227.559, 295.215], ['B', ' CE1', 225.423, 228.121, 293.52], ['B', ' CE2', 223.235, 227.235, 293.876], ['B', ' CZ ', 224.283, 227.516, 293.027]]
[['B', ' N ', 226.702, 228.821, 299.726], ['B', ' CA ', 226.94, 229.639, 300.904], ['B', ' C ', 226.793, 231.112, 300.544], ['B', ' O ', 226.9, 231.486, 299.373], ['B', ' CB ', 228.335, 229.361, 301.462], ['B', ' CG ', 228.434, 228.087, 302.287], ['B', ' CD ', 229.034, 226.931, 301.516], ['B', ' NE2', 228.713, 225.712, 301.932], ['B', ' OE1', 229.781, 227.129, 300.56]]
[['B', ' N ', 226.535, 231.985, 301.528], ['B', ' CA ', 226.224, 233.386, 301.203], ['B', ' C ', 227.33, 234.148, 300.486], ['B', ' O ', 227.098, 234.692, 299.402], ['B', ' CB ', 225.939, 234.008, 302.578], ['B', ' CG ', 226.559, 233.074, 303.566], ['B', ' CD ', 226.39, 231.719, 302.968]]
[['B', ' N ', 228.529, 234.207, 301.066], ['B', ' CA ', 229.538, 235.136, 300.563], ['B', ' C ', 230.304, 234.571, 299.368], ['B', ' O ', 230.244, 235.125, 298.265], ['B', ' CB ', 230.505, 235.513, 301.687], ['B', ' CG2', 229.805, 236.391, 302.712], ['B', ' OG1', 230.981, 234.323, 302.329]]
[['B', ' N ', 231.054, 233.486, 299.581], ['B', ' CA ', 231.884, 232.861, 298.551], ['B', ' C ', 232.957, 233.785, 297.983], ['B', ' O ', 233.679, 233.398, 297.059], ['B', ' CB ', 231.034, 232.337, 297.393], ['B', ' CG ', 230.554, 230.921, 297.558], ['B', ' CD1', 231.455, 229.88, 297.724], ['B', ' CD2', 229.206, 230.615, 297.493], ['B', ' CE1', 231.022, 228.579, 297.859], ['B', ' CE2', 228.765, 229.321, 297.619], ['B', ' CZ ', 229.674, 228.305, 297.805], ['B', ' OH ', 229.232, 227.01, 297.935]]
[['B', ' N ', 233.076, 235.002, 298.515], ['B', ' CA ', 233.969, 236.006, 297.971], ['B', ' C ', 233.188, 237.201, 297.444], ['B', ' O ', 232.188, 237.616, 298.041]]
[['B', ' N ', 233.648, 237.745, 296.318], ['B', ' CA ', 233.006, 238.894, 295.682], ['B', ' C ', 232.171, 238.472, 294.468], ['B', ' O ', 230.946, 238.606, 294.476], ['B', ' CB ', 234.039, 239.986, 295.319], ['B', ' CG1', 234.588, 240.613, 296.587], ['B', ' CG2', 235.206, 239.411, 294.526]]
[['B', ' N ', 232.811, 237.961, 293.418], ['B', ' CA ', 232.042, 237.345, 292.357], ['B', ' C ', 232.083, 235.833, 292.391], ['B', ' O ', 232.988, 235.218, 291.818]]
[['B', ' N ', 231.112, 235.222, 293.058], ['B', ' CA ', 230.871, 233.793, 292.903], ['B', ' C ', 229.4, 233.433, 293.028], ['B', ' O ', 229.073, 232.244, 292.984], ['B', ' CB ', 231.694, 232.996, 293.924], ['B', ' CG ', 232.078, 231.618, 293.44], ['B', ' CD1', 232.982, 231.457, 292.401], ['B', ' CD2', 231.534, 230.481, 294.018], ['B', ' CE1', 233.338, 230.201, 291.952], ['B', ' CE2', 231.883, 229.22, 293.575], ['B', ' CZ ', 232.785, 229.086, 292.542], ['B', ' OH ', 233.137, 227.832, 292.096]]
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[['B', ' N ', 225.349, 232.731, 292.617], ['B', ' CA ', 224.478, 232.28, 291.528], ['B', ' C ', 223.731, 233.452, 290.913], ['B', ' O ', 223.406, 234.436, 291.582], ['B', ' CB ', 223.521, 231.302, 292.217], ['B', ' CG ', 223.527, 231.719, 293.65], ['B', ' CD ', 224.924, 232.194, 293.921]]
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[['B', ' N ', 219.619, 261.846, 229.913], ['B', ' CA ', 220.594, 262.099, 228.864], ['B', ' C ', 220.274, 263.455, 228.242], ['B', ' O ', 219.137, 263.923, 228.292], ['B', ' CB ', 220.57, 260.978, 227.808], ['B', ' CG1', 220.957, 259.65, 228.43], ['B', ' CG2', 221.594, 261.199, 226.765], ['B', ' CD1', 220.711, 258.504, 227.515]]
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[['B', ' N ', 226.343, 273.381, 221.168], ['B', ' CA ', 227.291, 274.264, 221.853], ['B', ' C ', 226.665, 275.251, 222.828], ['B', ' O ', 227.409, 275.844, 223.615], ['B', ' CB ', 228.132, 275.058, 220.838], ['B', ' CG ', 227.284, 275.945, 219.917], ['B', ' ND2', 227.93, 276.701, 219.015], ['B', ' OD1', 226.055, 275.951, 220.017]]
[['B', ' N ', 225.35, 275.474, 222.807], ['B', ' CA ', 224.747, 276.565, 223.563], ['B', ' C ', 223.714, 276.111, 224.584], ['B', ' O ', 223.836, 276.451, 225.766], ['B', ' CB ', 224.12, 277.56, 222.581], ['B', ' CG2', 223.619, 278.78, 223.319], ['B', ' OG1', 225.109, 277.965, 221.629]]
[['B', ' N ', 222.696, 275.355, 224.168], ['B', ' CA ', 221.591, 274.971, 225.04], ['B', ' C ', 221.231, 273.51, 224.803], ['B', ' O ', 221.37, 272.996, 223.691], ['B', ' CB ', 220.365, 275.86, 224.811], ['B', ' OG ', 219.356, 275.581, 225.76]]
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[['B', ' N ', 218.711, 269.873, 225.993], ['B', ' CA ', 217.36, 269.432, 226.335], ['B', ' C ', 217.369, 267.972, 226.768], ['B', ' O ', 217.639, 267.09, 225.954], ['B', ' CB ', 216.416, 269.618, 225.147], ['B', ' CG ', 216.641, 270.891, 224.351], ['B', ' CD ', 216.618, 272.145, 225.208], ['B', ' NE2', 215.67, 272.219, 226.132], ['B', ' OE1', 217.456, 273.031, 225.046]]
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[['B', ' N ', 216.557, 264.089, 228.098], ['B', ' CA ', 215.896, 262.981, 227.407], ['B', ' C ', 215.643, 261.802, 228.342], ['B', ' O ', 216.053, 260.677, 228.057], ['B', ' CB ', 216.706, 262.52, 226.199]]
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[['B', ' N ', 214.866, 258.6, 230.222], ['B', ' CA ', 214.796, 257.357, 229.446], ['B', ' C ', 213.905, 256.317, 230.123], ['B', ' O ', 214.353, 255.528, 230.949], ['B', ' CB ', 216.191, 256.776, 229.266], ['B', ' CG ', 217.151, 257.04, 228.122], ['B', ' CD1', 218.388, 256.24, 228.439], ['B', ' CD2', 216.571, 256.613, 226.799]]
[['B', ' N ', 212.643, 256.262, 229.719], ['B', ' CA ', 211.801, 255.171, 230.185], ['B', ' C ', 210.684, 254.902, 229.183], ['B', ' O ', 210.445, 255.68, 228.258], ['B', ' CB ', 211.251, 255.456, 231.588], ['B', ' CG ', 210.134, 256.465, 231.668], ['B', ' CD1', 208.822, 256.085, 231.449], ['B', ' CD2', 210.385, 257.784, 232.007], ['B', ' CE1', 207.803, 256.982, 231.531], ['B', ' CE2', 209.366, 258.69, 232.094], ['B', ' CZ ', 208.076, 258.28, 231.853], ['B', ' OH ', 207.038, 259.163, 231.937]]
[['B', ' N ', 209.993, 253.78, 229.385], ['B', ' CA ', 209.014, 253.244, 228.447], ['B', ' C ', 207.617, 253.34, 229.042], ['B', ' O ', 207.431, 253.726, 230.197], ['B', ' CB ', 209.325, 251.782, 228.094], ['B', ' CG ', 208.968, 250.803, 229.207], ['B', ' CD ', 209.388, 249.381, 228.902], ['B', ' NE2', 209.169, 248.485, 229.855], ['B', ' OE1', 209.908, 249.091, 227.826]]
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[['B', ' N ', 204.291, 260.331, 230.268], ['B', ' CA ', 205.311, 261.256, 230.754], ['B', ' C ', 204.619, 262.194, 231.733], ['B', ' O ', 204.113, 263.251, 231.355], ['B', ' CB ', 205.964, 262.036, 229.629], ['B', ' SG ', 206.934, 263.447, 230.21]]
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[['B', ' N ', 205.983, 261.904, 235.323], ['B', ' CA ', 206.787, 261.753, 236.523], ['B', ' C ', 207.963, 262.717, 236.571], ['B', ' O ', 208.771, 262.645, 237.501], ['B', ' CB ', 207.277, 260.31, 236.64], ['B', ' CG ', 206.147, 259.29, 236.67], ['B', ' CD ', 206.636, 257.857, 236.78], ['B', ' OE1', 207.805, 257.647, 237.162], ['B', ' OE2', 205.844, 256.938, 236.488]]
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[['B', ' N ', 209.878, 266.318, 237.217], ['B', ' CA ', 209.694, 267.425, 238.164], ['B', ' C ', 209.488, 268.775, 237.481], ['B', ' O ', 209.441, 268.832, 236.253], ['B', ' CB ', 211.0, 267.419, 238.958], ['B', ' CG ', 212.002, 266.897, 238.0], ['B', ' CD ', 211.283, 265.874, 237.165]]
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[['B', ' N ', 207.259, 266.28, 224.94], ['B', ' CA ', 207.055, 265.345, 223.846], ['B', ' C ', 206.945, 263.951, 224.445], ['B', ' O ', 207.132, 263.761, 225.648], ['B', ' CB ', 208.196, 265.466, 222.833], ['B', ' CG ', 207.919, 264.816, 221.516], ['B', ' CD1', 206.835, 265.2, 220.754], ['B', ' CD2', 208.763, 263.842, 221.026], ['B', ' CE1', 206.588, 264.607, 219.543], ['B', ' CE2', 208.524, 263.25, 219.818], ['B', ' CZ ', 207.437, 263.631, 219.074]]
[['B', ' N ', 206.633, 262.966, 223.61], ['B', ' CA ', 206.531, 261.585, 224.079], ['B', ' C ', 207.129, 260.668, 223.02], ['B', ' O ', 206.436, 260.239, 222.095], ['B', ' CB ', 205.09, 261.203, 224.392], ['B', ' CG ', 204.941, 259.846, 225.064], ['B', ' CD ', 205.873, 259.66, 226.25], ['B', ' NE2', 206.289, 258.423, 226.486], ['B', ' OE1', 206.215, 260.611, 226.943]]
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[['B', ' N ', 209.44, 257.078, 222.005], ['B', ' CA ', 209.352, 255.68, 222.386], ['B', ' C ', 210.482, 255.257, 223.304], ['B', ' O ', 210.529, 254.094, 223.708], ['B', ' CB ', 209.34, 254.79, 221.144], ['B', ' CG ', 208.074, 254.91, 220.325], ['B', ' CD ', 207.792, 253.63, 219.575], ['B', ' NE ', 208.08, 252.455, 220.388], ['B', ' CZ ', 208.913, 251.486, 220.024], ['B', ' NH1', 209.545, 251.556, 218.861], ['B', ' NH2', 209.116, 250.449, 220.825]]
[['B', ' N ', 211.392, 256.167, 223.642], ['B', ' CA ', 212.475, 255.858, 224.565], ['B', ' C ', 212.465, 256.781, 225.774], ['B', ' O ', 213.428, 256.793, 226.539], ['B', ' CB ', 213.832, 255.938, 223.868]]
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[['B', ' N ', 212.258, 266.565, 226.791], ['B', ' CA ', 211.879, 267.859, 227.339], ['B', ' C ', 212.749, 268.909, 226.673], ['B', ' O ', 213.942, 269.013, 226.967], ['B', ' CB ', 212.049, 267.91, 228.858], ['B', ' CG1', 211.207, 266.842, 229.543], ['B', ' CG2', 211.652, 269.272, 229.361], ['B', ' CD1', 209.746, 266.996, 229.301]]
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[['B', ' N ', 206.919, 268.37, 211.245], ['B', ' CA ', 206.38, 267.337, 210.365], ['B', ' C ', 207.416, 266.839, 209.365], ['B', ' O ', 207.482, 265.638, 209.08], ['B', ' CB ', 205.15, 267.87, 209.639], ['B', ' CG ', 203.889, 267.711, 210.451], ['B', ' ND2', 203.195, 268.822, 210.69], ['B', ' OD1', 203.545, 266.605, 210.862]]
[['B', ' N ', 208.219, 267.739, 208.81], ['B', ' CA ', 209.173, 267.34, 207.789], ['B', ' C ', 210.272, 266.466, 208.385], ['B', ' O ', 210.495, 266.439, 209.598], ['B', ' CB ', 209.779, 268.568, 207.118], ['B', ' CG ', 208.754, 269.372, 206.353], ['B', ' ND2', 208.196, 268.775, 205.309], ['B', ' OD1', 208.464, 270.516, 206.695]]
[['B', ' N ', 210.961, 265.74, 207.51], ['B', ' CA ', 211.988, 264.792, 207.912], ['B', ' C ', 213.311, 265.121, 207.235], ['B', ' O ', 213.346, 265.549, 206.078], ['B', ' CB ', 211.582, 263.366, 207.561], ['B', ' OG ', 210.303, 263.062, 208.08]]
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[['B', ' N ', 217.706, 263.746, 207.137], ['B', ' CA ', 218.749, 262.838, 207.593], ['B', ' C ', 219.283, 263.34, 208.921], ['B', ' O ', 219.707, 264.492, 209.029], ['B', ' CB ', 219.872, 262.764, 206.566], ['B', ' CG ', 221.095, 262.023, 207.055], ['B', ' CD ', 222.119, 262.943, 207.689], ['B', ' OE1', 222.642, 262.595, 208.768], ['B', ' OE2', 222.396, 264.016, 207.112]]
[['B', ' N ', 219.277, 262.483, 209.935], ['B', ' CA ', 219.343, 263.018, 211.285], ['B', ' C ', 220.776, 263.151, 211.77], ['B', ' O ', 221.679, 262.43, 211.34], ['B', ' CB ', 218.557, 262.178, 212.284], ['B', ' SG ', 219.09, 260.507, 212.637]]
[['B', ' N ', 220.959, 264.079, 212.702], ['B', ' CA ', 222.259, 264.552, 213.145], ['B', ' C ', 222.634, 264.046, 214.531], ['B', ' O ', 223.817, 263.84, 214.807], ['B', ' CB ', 222.255, 266.084, 213.109], ['B', ' CG ', 223.611, 266.685, 213.347], ['B', ' OD1', 224.474, 266.581, 212.453], ['B', ' OD2', 223.793, 267.312, 214.407]]
[['B', ' N ', 221.655, 263.838, 215.413], ['B', ' CA ', 221.894, 263.329, 216.754], ['B', ' C ', 220.961, 262.149, 216.999], ['B', ' O ', 219.74, 262.304, 216.924], ['B', ' CB ', 221.678, 264.405, 217.831], ['B', ' CG1', 222.585, 265.604, 217.579], ['B', ' CG2', 221.932, 263.838, 219.206], ['B', ' CD1', 222.075, 266.88, 218.201]]
[['B', ' N ', 221.473, 260.955, 217.3], ['B', ' CA ', 220.603, 259.783, 217.475], ['B', ' C ', 219.979, 259.762, 218.862], ['B', ' O ', 220.69, 259.76, 219.868], ['B', ' CB ', 221.563, 258.606, 217.28], ['B', ' CG ', 222.791, 259.198, 216.669], ['B', ' CD ', 222.883, 260.561, 217.244]]
[['B', ' N ', 218.649, 259.723, 218.917], ['B', ' CA ', 217.944, 259.553, 220.182], ['B', ' C ', 217.498, 258.106, 220.319], ['B', ' O ', 217.903, 257.411, 221.255], ['B', ' CB ', 216.742, 260.501, 220.3], ['B', ' CG1', 217.199, 261.951, 220.27], ['B', ' CG2', 215.99, 260.232, 221.578], ['B', ' CD1', 216.062, 262.922, 220.372]]
[['B', ' N ', 216.66, 257.641, 219.397], ['B', ' CA ', 216.233, 256.256, 219.423], ['B', ' C ', 214.858, 255.997, 218.843], ['B', ' O ', 213.962, 256.833, 218.962]]
[['B', ' N ', 214.691, 254.838, 218.204], ['B', ' CA ', 213.406, 254.392, 217.664], ['B', ' C ', 212.921, 255.301, 216.538], ['B', ' O ', 211.753, 255.679, 216.47], ['B', ' CB ', 212.354, 254.279, 218.766]]
[['B', ' N ', 213.834, 255.645, 215.642], ['B', ' CA ', 213.515, 256.435, 214.47], ['B', ' C ', 213.574, 257.925, 214.687], ['B', ' O ', 213.529, 258.693, 213.725]]
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[['B', ' N ', 215.371, 261.501, 215.913], ['B', ' CA ', 216.683, 262.127, 215.988], ['B', ' C ', 216.486, 263.613, 216.261], ['B', ' O ', 215.356, 264.093, 216.368], ['B', ' CB ', 217.47, 261.905, 214.7], ['B', ' SG ', 218.313, 260.309, 214.501]]
[['B', ' N ', 217.589, 264.355, 216.359], ['B', ' CA ', 217.489, 265.767, 216.702], ['B', ' C ', 218.6, 266.562, 216.034], ['B', ' O ', 219.689, 266.043, 215.783], ['B', ' CB ', 217.546, 265.971, 218.215]]
[['B', ' N ', 218.316, 267.835, 215.765], ['B', ' CA ', 219.284, 268.725, 215.138], ['B', ' C ', 218.903, 270.167, 215.435], ['B', ' O ', 217.794, 270.46, 215.885], ['B', ' CB ', 219.376, 268.493, 213.631], ['B', ' OG ', 220.46, 269.222, 213.08]]
[['B', ' N ', 219.841, 271.068, 215.156], ['B', ' CA ', 219.786, 272.45, 215.61], ['B', ' C ', 219.315, 273.433, 214.543], ['B', ' O ', 219.233, 274.631, 214.824], ['B', ' CB ', 221.172, 272.86, 216.124], ['B', ' CG ', 221.276, 274.259, 216.681], ['B', ' CD1', 220.388, 274.723, 217.638], ['B', ' CD2', 222.269, 275.121, 216.241], ['B', ' CE1', 220.489, 276.005, 218.143], ['B', ' CE2', 222.378, 276.403, 216.738], ['B', ' CZ ', 221.487, 276.84, 217.688], ['B', ' OH ', 221.597, 278.119, 218.182]]
[['B', ' N ', 218.971, 272.971, 213.344], ['B', ' CA ', 218.802, 273.906, 212.242], ['B', ' C ', 217.555, 274.765, 212.447], ['B', ' O ', 216.781, 274.585, 213.391], ['B', ' CB ', 218.747, 273.165, 210.904], ['B', ' CG ', 217.578, 272.209, 210.709], ['B', ' CD ', 216.321, 272.912, 210.218], ['B', ' NE2', 215.161, 272.369, 210.561], ['B', ' OE1', 216.397, 273.922, 209.523]]
[['B', ' N ', 217.375, 275.721, 211.543], ['B', ' CA ', 216.294, 276.694, 211.646], ['B', ' C ', 215.01, 276.185, 211.004], ['B', ' O ', 214.495, 275.131, 211.373], ['B', ' CB ', 216.681, 278.026, 210.985], ['B', ' CG2', 215.587, 279.058, 211.191], ['B', ' OG1', 217.897, 278.512, 211.564]]
[['B', ' N ', 216.042, 282.368, 217.038], ['B', ' CA ', 214.901, 281.462, 217.046], ['B', ' C ', 215.345, 280.016, 216.864], ['B', ' O ', 214.527, 279.098, 216.905], ['B', ' CB ', 213.905, 281.844, 215.951], ['B', ' OG ', 214.452, 281.614, 214.664]]
[['B', ' N ', 216.647, 279.819, 216.66], ['B', ' CA ', 217.19, 278.483, 216.459], ['B', ' C ', 216.969, 277.63, 217.7], ['B', ' O ', 217.594, 277.861, 218.738], ['B', ' CB ', 218.677, 278.554, 216.114], ['B', ' CG ', 218.96, 279.002, 214.69], ['B', ' CD ', 218.758, 280.491, 214.491], ['B', ' NE2', 219.557, 281.294, 215.181], ['B', ' OE1', 217.896, 280.914, 213.723]]
[['B', ' N ', 216.084, 276.642, 217.602], ['B', ' CA ', 215.695, 275.815, 218.735], ['B', ' C ', 215.863, 274.35, 218.368], ['B', ' O ', 215.505, 273.944, 217.259], ['B', ' CB ', 214.246, 276.096, 219.137], ['B', ' OG ', 214.082, 277.45, 219.516]]
[['B', ' N ', 216.404, 273.563, 219.299], ['B', ' CA ', 216.566, 272.133, 219.076], ['B', ' C ', 215.224, 271.513, 218.735], ['B', ' O ', 214.232, 271.717, 219.442], ['B', ' CB ', 217.188, 271.474, 220.316], ['B', ' CG1', 218.537, 272.097, 220.616], ['B', ' CG2', 217.367, 269.999, 220.097], ['B', ' CD1', 219.509, 271.914, 219.504]]
[['B', ' N ', 215.188, 270.747, 217.646], ['B', ' CA ', 213.969, 270.112, 217.171], ['B', ' C ', 214.172, 268.604, 217.166], ['B', ' O ', 215.293, 268.103, 217.22], ['B', ' CB ', 213.559, 270.604, 215.774], ['B', ' CG1', 214.765, 270.631, 214.843], ['B', ' CG2', 212.945, 271.978, 215.858], ['B', ' CD1', 214.383, 270.641, 213.398]]
[['B', ' N ', 213.058, 267.881, 217.093], ['B', ' CA ', 213.071, 266.426, 217.022], ['B', ' C ', 212.154, 265.995, 215.893], ['B', ' O ', 210.989, 266.399, 215.856], ['B', ' CB ', 212.625, 265.798, 218.344]]
[['B', ' N ', 212.671, 265.181, 214.983], ['B', ' CA ', 211.92, 264.678, 213.844], ['B', ' C ', 212.091, 263.168, 213.732], ['B', ' O ', 212.85, 262.55, 214.478], ['B', ' CB ', 212.373, 265.362, 212.558], ['B', ' CG ', 213.872, 265.478, 212.428], ['B', ' CD1', 214.662, 264.357, 212.28], ['B', ' CD2', 214.492, 266.712, 212.433], ['B', ' CE1', 216.02, 264.461, 212.155], ['B', ' CE2', 215.851, 266.823, 212.303], ['B', ' CZ ', 216.609, 265.693, 212.164], ['B', ' OH ', 217.972, 265.794, 212.038]]
[['B', ' N ', 211.382, 262.576, 212.778], ['B', ' CA ', 211.53, 261.166, 212.443], ['B', ' C ', 212.349, 261.076, 211.162], ['B', ' O ', 211.966, 261.639, 210.134], ['B', ' CB ', 210.163, 260.484, 212.312], ['B', ' CG2', 209.29, 261.12, 211.234], ['B', ' OG1', 210.335, 259.088, 212.048]]
[['B', ' N ', 213.492, 260.403, 211.231], ['B', ' CA ', 214.478, 260.539, 210.17], ['B', ' C ', 214.04, 259.815, 208.901], ['B', ' O ', 213.369, 258.782, 208.945], ['B', ' CB ', 215.837, 260.026, 210.633], ['B', ' CG ', 215.942, 258.542, 210.806], ['B', ' SD ', 217.681, 258.104, 210.801], ['B', ' CE ', 217.598, 256.333, 210.779]]
[['B', ' N ', 214.427, 260.38, 207.758], ['B', ' CA ', 214.038, 259.881, 206.448], ['B', ' C ', 215.261, 259.349, 205.721], ['B', ' O ', 216.336, 259.949, 205.768], ['B', ' CB ', 213.372, 260.966, 205.61], ['B', ' OG ', 213.142, 260.516, 204.286]]
[['B', ' N ', 215.077, 258.227, 205.042], ['B', ' CA ', 216.168, 257.357, 204.603], ['B', ' C ', 216.555, 257.594, 203.149], ['B', ' O ', 216.672, 256.651, 202.377], ['B', ' CB ', 215.757, 255.911, 204.829], ['B', ' CG ', 215.849, 255.439, 206.277], ['B', ' CD1', 214.781, 256.065, 207.129], ['B', ' CD2', 215.634, 253.97, 206.298]]
[['B', ' N ', 216.797, 258.838, 202.758], ['B', ' CA ', 217.146, 259.13, 201.381], ['B', ' C ', 215.957, 259.546, 200.538], ['B', ' O ', 214.8, 259.529, 200.963]]
[['B', ' N ', 216.257, 259.921, 199.299], ['B', ' CA ', 215.27, 260.487, 198.394], ['B', ' C ', 214.778, 259.44, 197.407], ['B', ' O ', 215.531, 258.566, 196.976], ['B', ' CB ', 215.846, 261.68, 197.635]]
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[['B', ' N ', 213.328, 257.411, 194.132], ['B', ' CA ', 213.756, 257.297, 192.745], ['B', ' C ', 212.996, 256.163, 192.083], ['B', ' O ', 212.868, 255.082, 192.662], ['B', ' CB ', 215.254, 257.04, 192.644], ['B', ' CG ', 215.783, 257.299, 191.259], ['B', ' ND2', 217.0, 256.841, 190.992], ['B', ' OD1', 215.103, 257.901, 190.429]]
[['B', ' N ', 212.503, 256.409, 190.873], ['B', ' CA ', 211.806, 255.4, 190.08], ['B', ' C ', 212.442, 255.389, 188.695], ['B', ' O ', 211.987, 256.09, 187.787], ['B', ' CB ', 210.311, 255.68, 190.016], ['B', ' OG ', 209.767, 255.82, 191.312]]
[['B', ' N ', 213.503, 254.595, 188.538], ['B', ' CA ', 214.117, 254.442, 187.229], ['B', ' C ', 213.104, 253.827, 186.281], ['B', ' O ', 212.435, 252.84, 186.608], ['B', ' CB ', 215.402, 253.609, 187.333], ['B', ' CG1', 216.408, 254.319, 188.208], ['B', ' CG2', 215.107, 252.249, 187.927]]
[['B', ' N ', 212.97, 254.423, 185.1], ['B', ' CA ', 211.907, 254.046, 184.175], ['B', ' C ', 212.243, 252.681, 183.59], ['B', ' O ', 212.72, 252.546, 182.462], ['B', ' CB ', 211.74, 255.095, 183.083]]
[['B', ' N ', 211.995, 251.648, 184.383], ['B', ' CA ', 212.228, 250.287, 183.928], ['B', ' C ', 211.198, 249.939, 182.863], ['B', ' O ', 209.996, 249.903, 183.14], ['B', ' CB ', 212.159, 249.315, 185.102], ['B', ' CG ', 212.16, 247.866, 184.685], ['B', ' CD1', 213.345, 247.17, 184.542], ['B', ' CD2', 210.978, 247.197, 184.433], ['B', ' CE1', 213.35, 245.858, 184.156], ['B', ' CE2', 210.977, 245.886, 184.042], ['B', ' CZ ', 212.162, 245.22, 183.906], ['B', ' OH ', 212.158, 243.906, 183.52]]
[['B', ' N ', 211.664, 249.699, 181.645], ['B', ' CA ', 210.832, 249.213, 180.558], ['B', ' C ', 211.418, 247.894, 180.077], ['B', ' O ', 212.523, 247.515, 180.467], ['B', ' CB ', 210.757, 250.24, 179.421], ['B', ' OG ', 209.727, 249.922, 178.505]]
[['B', ' N ', 210.672, 247.171, 179.241], ['B', ' CA ', 211.18, 245.881, 178.794], ['B', ' C ', 212.282, 245.998, 177.751], ['B', ' O ', 213.03, 245.035, 177.566], ['B', ' CB ', 210.054, 244.993, 178.253], ['B', ' CG ', 209.392, 245.559, 177.02], ['B', ' ND2', 208.332, 244.903, 176.57], ['B', ' OD1', 209.829, 246.561, 176.468]]
[['B', ' N ', 212.4, 247.136, 177.051], ['B', ' CA ', 213.534, 247.363, 176.154], ['B', ' C ', 213.978, 248.823, 176.267], ['B', ' O ', 213.52, 249.7, 175.537], ['B', ' CB ', 213.185, 246.987, 174.722], ['B', ' CG ', 212.063, 247.814, 174.167], ['B', ' ND2', 212.02, 247.944, 172.852], ['B', ' OD1', 211.241, 248.335, 174.91]]
[['B', ' N ', 214.885, 249.087, 177.203], ['B', ' CA ', 215.576, 250.372, 177.271], ['B', ' C ', 216.766, 250.225, 178.198], ['B', ' O ', 216.579, 249.995, 179.394], ['B', ' CB ', 214.653, 251.473, 177.767], ['B', ' OG ', 213.668, 251.781, 176.8]]
[['B', ' N ', 217.973, 250.374, 177.671], ['B', ' CA ', 219.18, 250.313, 178.484], ['B', ' C ', 219.799, 251.702, 178.528], ['B', ' O ', 219.612, 252.515, 177.619], ['B', ' CB ', 220.18, 249.272, 177.942], ['B', ' CG1', 221.308, 249.036, 178.939], ['B', ' CG2', 220.754, 249.726, 176.623], ['B', ' CD1', 222.134, 247.823, 178.632]]
[['B', ' N ', 220.521, 251.982, 179.607], ['B', ' CA ', 221.219, 253.248, 179.786], ['B', ' C ', 222.712, 252.98, 179.816], ['B', ' O ', 223.175, 252.147, 180.599], ['B', ' CB ', 220.777, 253.944, 181.069]]
[['B', ' N ', 223.463, 253.69, 178.982], ['B', ' CA ', 224.884, 253.444, 178.78], ['B', ' C ', 225.624, 254.758, 178.974], ['B', ' O ', 225.234, 255.766, 178.385], ['B', ' CB ', 225.183, 252.869, 177.386], ['B', ' CG1', 224.428, 251.567, 177.18], ['B', ' CG2', 226.646, 252.606, 177.234], ['B', ' CD1', 224.618, 250.993, 175.817]]
[['B', ' N ', 226.688, 254.795, 179.767], ['B', ' CA ', 227.36, 256.063, 180.048], ['B', ' C ', 228.044, 256.648, 178.826], ['B', ' O ', 228.418, 255.939, 177.892], ['B', ' CB ', 228.389, 255.68, 181.112], ['B', ' CG ', 227.838, 254.463, 181.72], ['B', ' CD ', 227.208, 253.716, 180.611]]
[['B', ' N ', 228.208, 257.968, 178.847], ['B', ' CA ', 228.941, 258.669, 177.811], ['B', ' C ', 230.305, 259.144, 178.294], ['B', ' O ', 231.262, 259.138, 177.512], ['B', ' CB ', 228.118, 259.859, 177.284], ['B', ' CG1', 226.786, 259.39, 176.728], ['B', ' CG2', 228.863, 260.552, 176.177], ['B', ' CD1', 226.919, 258.453, 175.582]]
[['B', ' N ', 230.421, 259.552, 179.555], ['B', ' CA ', 231.633, 260.111, 180.127], ['B', ' C ', 231.919, 259.391, 181.436], ['B', ' O ', 231.101, 258.613, 181.925], ['B', ' CB ', 231.48, 261.624, 180.341], ['B', ' CG ', 232.774, 262.298, 180.739], ['B', ' ND2', 232.73, 263.615, 180.911], ['B', ' OD1', 233.802, 261.645, 180.891]]
[['B', ' N ', 233.093, 259.64, 182.009], ['B', ' CA ', 233.494, 258.954, 183.227], ['B', ' C ', 234.247, 259.906, 184.137], ['B', ' O ', 234.779, 260.925, 183.699], ['B', ' CB ', 234.366, 257.736, 182.934], ['B', ' CG ', 235.608, 258.044, 182.147], ['B', ' CD1', 235.569, 258.133, 180.77], ['B', ' CD2', 236.818, 258.219, 182.784], ['B', ' CE1', 236.704, 258.401, 180.053], ['B', ' CE2', 237.955, 258.485, 182.066], ['B', ' CZ ', 237.897, 258.577, 180.702]]
[['B', ' N ', 234.282, 259.561, 185.421], ['B', ' CA ', 235.002, 260.333, 186.422], ['B', ' C ', 235.847, 259.405, 187.275], ['B', ' O ', 235.39, 258.335, 187.68], ['B', ' CB ', 234.058, 261.12, 187.332], ['B', ' CG2', 233.061, 261.921, 186.519], ['B', ' OG1', 233.355, 260.213, 188.186]]
[['B', ' N ', 237.069, 259.827, 187.553], ['B', ' CA ', 237.996, 259.09, 188.4], ['B', ' C ', 237.945, 259.686, 189.795], ['B', ' O ', 238.0, 260.908, 189.961], ['B', ' CB ', 239.421, 259.148, 187.827], ['B', ' CG1', 239.443, 258.595, 186.406], ['B', ' CG2', 240.374, 258.388, 188.705], ['B', ' CD1', 239.357, 257.099, 186.33]]
[['B', ' N ', 237.827, 258.831, 190.803], ['B', ' CA ', 237.72, 259.286, 192.178], ['B', ' C ', 238.74, 258.565, 193.041], ['B', ' O ', 238.981, 257.37, 192.877], ['B', ' CB ', 236.324, 259.056, 192.734], ['B', ' OG ', 236.158, 257.705, 193.108]]
[['B', ' N ', 239.326, 259.307, 193.973], ['B', ' CA ', 240.425, 258.819, 194.801], ['B', ' C ', 239.96, 258.961, 196.247], ['B', ' O ', 240.138, 260.009, 196.873], ['B', ' CB ', 241.723, 259.59, 194.557], ['B', ' CG1', 242.809, 259.108, 195.487], ['B', ' CG2', 242.15, 259.47, 193.109]]
[['B', ' N ', 239.36, 257.909, 196.786], ['B', ' CA ', 238.811, 257.946, 198.134], ['B', ' C ', 239.907, 257.63, 199.145], ['B', ' O ', 241.1, 257.687, 198.844], ['B', ' CB ', 237.631, 256.989, 198.26], ['B', ' CG2', 236.472, 257.458, 197.4], ['B', ' OG1', 238.031, 255.68, 197.844]]
[['B', ' N ', 239.511, 257.321, 200.375], ['B', ' CA ', 240.46, 257.089, 201.45], ['B', ' C ', 239.865, 256.077, 202.415], ['B', ' O ', 238.654, 256.057, 202.64], ['B', ' CB ', 240.783, 258.395, 202.182], ['B', ' CG2', 241.889, 258.196, 203.174], ['B', ' OG1', 241.203, 259.376, 201.233]]
[['B', ' N ', 240.72, 255.231, 202.974], ['B', ' CA ', 240.313, 254.32, 204.03], ['B', ' C ', 241.376, 254.312, 205.11], ['B', ' O ', 242.571, 254.32, 204.812], ['B', ' CB ', 240.096, 252.901, 203.511], ['B', ' CG ', 239.032, 252.146, 204.273], ['B', ' CD ', 239.066, 250.665, 204.006], ['B', ' OE1', 239.357, 250.276, 202.859], ['B', ' OE2', 238.797, 249.888, 204.942]]
[['B', ' N ', 240.939, 254.288, 206.363], ['B', ' CA ', 241.842, 254.36, 207.502], ['B', ' C ', 241.547, 253.189, 208.421], ['B', ' O ', 240.389, 252.96, 208.786], ['B', ' CB ', 241.7, 255.689, 208.253], ['B', ' CG1', 242.343, 256.811, 207.452], ['B', ' CG2', 242.33, 255.599, 209.608], ['B', ' CD1', 242.084, 258.157, 208.022]]
[['B', ' N ', 242.585, 252.449, 208.79], ['B', ' CA ', 242.473, 251.314, 209.685], ['B', ' C ', 243.532, 251.417, 210.769], ['B', ' O ', 244.635, 251.902, 210.515], ['B', ' CB ', 242.654, 249.99, 208.93], ['B', ' CG ', 241.676, 249.668, 207.802], ['B', ' CD1', 242.364, 248.896, 206.705], ['B', ' CD2', 240.503, 248.88, 208.328]]
[['B', ' N ', 243.227, 250.975, 211.983], ['B', ' CA ', 244.251, 250.878, 213.021], ['B', ' C ', 244.934, 249.523, 212.986], ['B', ' O ', 244.331, 248.501, 212.664], ['B', ' CB ', 243.44, 251.054, 214.308], ['B', ' CG ', 242.14, 250.443, 213.977], ['B', ' CD ', 241.888, 250.688, 212.513]]
[['B', ' N ', 246.222, 249.522, 213.321], ['B', ' CA ', 247.03, 248.33, 213.101], ['B', ' C ', 247.631, 247.798, 214.395], ['B', ' O ', 247.819, 246.586, 214.54], ['B', ' CB ', 248.132, 248.617, 212.069], ['B', ' CG1', 248.953, 247.386, 211.815], ['B', ' CG2', 247.52, 249.083, 210.778]]
[['B', ' N ', 247.913, 248.672, 215.357], ['B', ' CA ', 248.593, 248.197, 216.553], ['B', ' C ', 248.424, 249.19, 217.688], ['B', ' O ', 248.42, 250.401, 217.471], ['B', ' CB ', 250.078, 247.967, 216.284], ['B', ' OG ', 250.767, 249.199, 216.24]]
[['B', ' N ', 248.309, 248.664, 218.9], ['B', ' CA ', 248.179, 249.485, 220.093], ['B', ' C ', 249.564, 249.949, 220.533], ['B', ' O ', 250.543, 249.809, 219.797], ['B', ' CB ', 247.486, 248.711, 221.215], ['B', ' CG ', 246.362, 247.815, 220.789], ['B', ' SD ', 245.243, 247.554, 222.165], ['B', ' CE ', 246.16, 246.339, 223.091]]
[['B', ' N ', 249.661, 250.5, 221.736], ['B', ' CA ', 250.936, 250.855, 222.334], ['B', ' C ', 251.288, 249.803, 223.373], ['B', ' O ', 250.434, 249.388, 224.162], ['B', ' CB ', 250.899, 252.256, 222.951], ['B', ' CG2', 249.913, 252.331, 224.099], ['B', ' OG1', 252.206, 252.609, 223.415]]
[['B', ' N ', 252.53, 249.341, 223.334], ['B', ' CA ', 252.963, 248.262, 224.201], ['B', ' C ', 253.033, 248.745, 225.643], ['B', ' O ', 253.219, 249.931, 225.913], ['B', ' CB ', 254.32, 247.744, 223.733], ['B', ' CG ', 254.258, 247.104, 222.356], ['B', ' CD ', 255.631, 246.797, 221.791], ['B', ' CE ', 256.29, 245.656, 222.524], ['B', ' NZ ', 257.581, 245.288, 221.891]]
[['B', ' N ', 252.862, 247.815, 226.575], ['B', ' CA ', 252.898, 248.158, 227.987], ['B', ' C ', 253.267, 246.93, 228.797], ['B', ' O ', 253.163, 245.796, 228.328], ['B', ' CB ', 251.561, 248.706, 228.48], ['B', ' CG2', 250.495, 247.648, 228.356], ['B', ' OG1', 251.681, 249.07, 229.858]]
[['B', ' N ', 253.701, 247.173, 230.029], ['B', ' CA ', 254.055, 246.094, 230.939], ['B', ' C ', 254.041, 246.65, 232.351], ['B', ' O ', 254.725, 247.635, 232.633], ['B', ' CB ', 255.427, 245.509, 230.605], ['B', ' OG ', 255.732, 244.421, 231.457]]
[['B', ' N ', 253.265, 246.023, 233.227], ['B', ' CA ', 253.049, 246.517, 234.578], ['B', ' C ', 253.636, 245.516, 235.556], ['B', ' O ', 253.27, 244.336, 235.54], ['B', ' CB ', 251.56, 246.751, 234.865], ['B', ' CG1', 251.386, 247.493, 236.174], ['B', ' CG2', 250.932, 247.528, 233.731]]
[['B', ' N ', 254.539, 245.991, 236.407], ['B', ' CA ', 255.079, 245.166, 237.474], ['B', ' C ', 253.976, 244.805, 238.461], ['B', ' O ', 253.009, 245.547, 238.641], ['B', ' CB ', 256.205, 245.913, 238.183], ['B', ' CG ', 256.942, 245.055, 239.176], ['B', ' OD1', 256.619, 243.857, 239.296], ['B', ' OD2', 257.856, 245.582, 239.839]]
[['B', ' N ', 254.119, 243.646, 239.101], ['B', ' CA ', 253.088, 243.19, 240.027], ['B', ' C ', 253.241, 243.859, 241.38], ['B', ' O ', 252.407, 244.67, 241.795], ['B', ' CB ', 253.205, 241.687, 240.244], ['B', ' SG ', 253.143, 240.637, 238.821]]
[['B', ' N ', 254.325, 243.532, 242.069], ['B', ' CA ', 254.514, 243.912, 243.454], ['B', ' C ', 254.95, 245.353, 243.634], ['B', ' O ', 254.794, 245.881, 244.736], ['B', ' CB ', 255.528, 242.986, 244.114], ['B', ' CG2', 256.864, 243.094, 243.434], ['B', ' OG1', 255.658, 243.333, 245.496]]
[['B', ' N ', 255.482, 246.011, 242.61], ['B', ' CA ', 255.679, 247.445, 242.741], ['B', ' C ', 254.362, 248.201, 242.705], ['B', ' O ', 254.269, 249.287, 243.282], ['B', ' CB ', 256.61, 247.985, 241.651], ['B', ' CG ', 256.931, 249.467, 241.836], ['B', ' SD ', 258.026, 250.24, 240.629], ['B', ' CE ', 259.597, 249.528, 241.063]]
[['B', ' N ', 253.333, 247.637, 242.08], ['B', ' CA ', 252.01, 248.242, 242.079], ['B', ' C ', 251.205, 247.864, 243.313], ['B', ' O ', 250.637, 248.735, 243.975], ['B', ' CB ', 251.245, 247.833, 240.817], ['B', ' CG ', 249.853, 248.399, 240.757], ['B', ' CD1', 249.643, 249.76, 240.698], ['B', ' CD2', 248.749, 247.572, 240.771], ['B', ' CE1', 248.378, 250.277, 240.647], ['B', ' CE2', 247.481, 248.087, 240.722], ['B', ' CZ ', 247.304, 249.437, 240.661], ['B', ' OH ', 246.04, 249.957, 240.608]]
[['B', ' N ', 251.152, 246.573, 243.638], ['B', ' CA ', 250.37, 246.126, 244.785], ['B', ' C ', 250.988, 246.619, 246.083], ['B', ' O ', 250.292, 247.134, 246.963], ['B', ' CB ', 250.24, 244.597, 244.78], ['B', ' CG1', 249.657, 244.125, 243.457], ['B', ' CG2', 249.381, 244.149, 245.922], ['B', ' CD1', 248.376, 244.798, 243.108]]
[['B', ' N ', 252.3, 246.464, 246.228], ['B', ' CA ', 253.0, 246.776, 247.471], ['B', ' C ', 254.098, 247.779, 247.148], ['B', ' O ', 255.249, 247.397, 246.935], ['B', ' CB ', 253.577, 245.527, 248.072], ['B', ' SG ', 252.486, 244.115, 247.982]]
[['B', ' N ', 253.757, 249.06, 247.128], ['B', ' CA ', 254.745, 250.032, 246.715], ['B', ' C ', 255.891, 250.146, 247.693], ['B', ' O ', 255.767, 250.795, 248.735]]
[['B', ' N ', 257.021, 249.542, 247.338], ['B', ' CA ', 258.258, 249.576, 248.12], ['B', ' C ', 257.987, 249.317, 249.602], ['B', ' O ', 258.106, 250.193, 250.457], ['B', ' CB ', 258.998, 250.897, 247.911], ['B', ' CG ', 260.194, 251.046, 248.825], ['B', ' OD1', 261.113, 250.207, 248.742], ['B', ' OD2', 260.207, 251.995, 249.634]]
[['B', ' N ', 257.57, 248.091, 249.893], ['B', ' CA ', 257.355, 247.678, 251.268], ['B', ' C ', 257.76, 246.222, 251.413], ['B', ' O ', 257.753, 245.454, 250.45], ['B', ' CB ', 255.9, 247.873, 251.699], ['B', ' OG ', 255.083, 246.837, 251.195]]
[['B', ' N ', 258.122, 245.847, 252.64], ['B', ' CA ', 258.463, 244.469, 252.952], ['B', ' C ', 257.407, 243.753, 253.773], ['B', ' O ', 257.399, 242.519, 253.785], ['B', ' CB ', 259.803, 244.396, 253.699], ['B', ' CG2', 259.642, 244.866, 255.135], ['B', ' OG1', 260.278, 243.045, 253.693]]
[['B', ' N ', 256.515, 244.478, 254.441], ['B', ' CA ', 255.382, 243.86, 255.119], ['B', ' C ', 254.32, 243.44, 254.173], ['B', ' O ', 253.257, 242.996, 254.608], ['B', ' CB ', 254.798, 244.816, 256.16], ['B', ' CG ', 255.845, 245.554, 256.969], ['B', ' CD ', 255.237, 246.455, 258.022], ['B', ' OE1', 254.114, 246.162, 258.479], ['B', ' OE2', 255.882, 247.454, 258.399]]
[['B', ' N ', 254.569, 243.592, 252.874], ['B', ' CA ', 253.667, 243.099, 251.847], ['B', ' C ', 254.32, 241.978, 251.049], ['B', ' O ', 253.808, 241.593, 249.995], ['B', ' CB ', 253.227, 244.245, 250.934], ['B', ' SG ', 251.821, 243.872, 249.879]]
[['B', ' N ', 255.453, 241.461, 251.52], ['B', ' CA ', 256.009, 240.225, 250.983], ['B', ' C ', 255.314, 239.013, 251.581], ['B', ' O ', 254.871, 238.114, 250.855], ['B', ' CB ', 257.508, 240.157, 251.27], ['B', ' OG ', 258.046, 238.912, 250.863]]
[['B', ' N ', 255.231, 238.967, 252.909], ['B', ' CA ', 254.537, 237.873, 253.571], ['B', ' C ', 253.072, 237.843, 253.174], ['B', ' O ', 252.509, 236.774, 252.927], ['B', ' CB ', 254.669, 238.014, 255.086], ['B', ' CG ', 256.096, 238.23, 255.528], ['B', ' ND2', 256.851, 237.145, 255.637], ['B', ' OD1', 256.515, 239.36, 255.781]]
[['B', ' N ', 252.443, 239.006, 253.099], ['B', ' CA ', 251.018, 239.101, 252.844], ['B', ' C ', 250.682, 239.025, 251.366], ['B', ' O ', 249.53, 239.257, 250.996], ['B', ' CB ', 250.462, 240.392, 253.444], ['B', ' CG ', 250.238, 240.4, 254.957], ['B', ' CD1', 251.541, 240.433, 255.734], ['B', ' CD2', 249.373, 241.58, 255.336]]
[['B', ' N ', 251.657, 238.715, 250.516], ['B', ' CA ', 251.41, 238.513, 249.094], ['B', ' C ', 251.959, 237.205, 248.558], ['B', ' O ', 251.478, 236.74, 247.52], ['B', ' CB ', 251.995, 239.669, 248.273], ['B', ' CG ', 251.6, 239.734, 246.8], ['B', ' CD1', 250.094, 239.758, 246.666], ['B', ' CD2', 252.212, 240.948, 246.145]]
[['B', ' N ', 252.945, 236.595, 249.215], ['B', ' CA ', 253.317, 235.235, 248.855], ['B', ' C ', 252.199, 234.245, 249.141], ['B', ' O ', 252.212, 233.139, 248.591], ['B', ' CB ', 254.575, 234.814, 249.601], ['B', ' CG ', 255.845, 235.545, 249.192], ['B', ' CD1', 256.995, 235.123, 250.082], ['B', ' CD2', 256.161, 235.28, 247.733]]
[['B', ' N ', 251.245, 234.607, 250.001], ['B', ' CA ', 250.099, 233.742, 250.255], ['B', ' C ', 249.362, 233.438, 248.962], ['B', ' O ', 249.242, 232.278, 248.556], ['B', ' CB ', 249.16, 234.398, 251.264], ['B', ' CG ', 249.841, 234.997, 252.481], ['B', ' CD ', 250.667, 233.999, 253.271], ['B', ' NE2', 250.2, 233.673, 254.469], ['B', ' OE1', 251.719, 233.542, 252.824]]
[['B', ' N ', 248.869, 234.475, 248.294], ['B', ' CA ', 248.266, 234.297, 246.984], ['B', ' C ', 249.283, 233.679, 246.038], ['B', ' O ', 250.486, 233.924, 246.141], ['B', ' CB ', 247.777, 235.637, 246.441], ['B', ' CG ', 246.852, 236.37, 247.381], ['B', ' CD1', 245.513, 236.046, 247.461], ['B', ' CD2', 247.326, 237.384, 248.191], ['B', ' CE1', 244.675, 236.716, 248.317], ['B', ' CE2', 246.496, 238.054, 249.048], ['B', ' CZ ', 245.176, 237.72, 249.108], ['B', ' OH ', 244.352, 238.394, 249.97]]
[['B', ' N ', 248.8, 232.862, 245.116], ['B', ' CA ', 249.708, 232.031, 244.359], ['B', ' C ', 250.324, 232.708, 243.157], ['B', ' O ', 250.902, 233.792, 243.265]]
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[['B', ' N ', 258.94, 243.314, 187.136], ['B', ' CA ', 259.007, 243.503, 185.696], ['B', ' C ', 258.52, 244.903, 185.361], ['B', ' O ', 257.393, 245.274, 185.701], ['B', ' CB ', 258.173, 242.457, 184.961], ['B', ' CG ', 258.4, 241.002, 185.349], ['B', ' CD1', 257.362, 240.137, 184.678], ['B', ' CD2', 259.786, 240.566, 184.961]]
[['B', ' N ', 259.372, 245.669, 184.695], ['B', ' CA ', 259.032, 247.016, 184.27], ['B', ' C ', 257.92, 246.996, 183.23], ['B', ' O ', 257.71, 245.995, 182.545], ['B', ' CB ', 260.278, 247.671, 183.703], ['B', ' CG ', 260.77, 246.944, 182.488], ['B', ' CD ', 262.23, 247.156, 182.244], ['B', ' NE2', 262.956, 246.067, 182.071], ['B', ' OE1', 262.712, 248.28, 182.229]]
[['B', ' N ', 257.195, 248.106, 183.13], ['B', ' CA ', 256.171, 248.314, 182.105], ['B', ' C ', 255.829, 249.799, 182.1], ['B', ' O ', 255.676, 250.389, 183.176], ['B', ' CB ', 254.934, 247.435, 182.354], ['B', ' CG1', 253.901, 247.615, 181.248], ['B', ' CG2', 254.321, 247.725, 183.698], ['B', ' CD1', 252.954, 246.461, 181.109]]
[['B', ' N ', 255.739, 250.454, 180.942], ['B', ' CA ', 255.463, 251.897, 180.939], ['B', ' C ', 254.121, 252.184, 181.591], ['B', ' O ', 253.162, 251.436, 181.414], ['B', ' CB ', 255.458, 252.264, 179.453], ['B', ' CG ', 255.976, 251.103, 178.743], ['B', ' CD ', 255.803, 249.905, 179.584]]
[['B', ' N ', 254.057, 253.28, 182.346], ['B', ' CA ', 252.892, 253.51, 183.192], ['B', ' C ', 251.62, 253.654, 182.375], ['B', ' O ', 250.55, 253.205, 182.8], ['B', ' CB ', 253.088, 254.747, 184.055], ['B', ' CG ', 252.09, 254.864, 185.151], ['B', ' CD1', 252.294, 254.227, 186.351], ['B', ' CD2', 250.94, 255.594, 184.978], ['B', ' CE1', 251.379, 254.323, 187.361], ['B', ' CE2', 250.019, 255.689, 185.987], ['B', ' CZ ', 250.24, 255.054, 187.179]]
[['B', ' N ', 251.704, 254.31, 181.219], ['B', ' CA ', 250.52, 254.455, 180.385], ['B', ' C ', 249.916, 253.1, 180.077], ['B', ' O ', 248.71, 252.894, 180.245], ['B', ' CB ', 250.869, 255.194, 179.095]]
[['B', ' N ', 250.746, 252.147, 179.668], ['B', ' CA ', 250.243, 250.813, 179.386], ['B', ' C ', 249.759, 250.111, 180.641], ['B', ' O ', 248.843, 249.293, 180.563], ['B', ' CB ', 251.317, 249.978, 178.701], ['B', ' CG ', 251.634, 250.433, 177.305], ['B', ' SD ', 253.248, 249.851, 176.796], ['B', ' CE ', 252.96, 248.087, 176.8]]
[['B', ' N ', 250.346, 250.403, 181.798], ['B', ' CA ', 249.855, 249.798, 183.029], ['B', ' C ', 248.428, 250.235, 183.31], ['B', ' O ', 247.536, 249.403, 183.52], ['B', ' CB ', 250.76, 250.167, 184.197], ['B', ' CG ', 250.464, 249.389, 185.446], ['B', ' CD ', 251.002, 250.063, 186.68], ['B', ' NE2', 252.303, 249.961, 186.883], ['B', ' OE1', 250.259, 250.678, 187.441]]
[['B', ' N ', 248.186, 251.542, 183.298], ['B', ' CA ', 246.85, 252.075, 183.496], ['B', ' C ', 245.891, 251.661, 182.389], ['B', ' O ', 244.685, 251.565, 182.631], ['B', ' CB ', 246.9, 253.596, 183.605], ['B', ' CG ', 245.55, 254.234, 183.841], ['B', ' SD ', 244.958, 254.033, 185.526], ['B', ' CE ', 246.412, 254.508, 186.448]]
[['B', ' N ', 246.396, 251.397, 181.19], ['B', ' CA ', 245.563, 250.919, 180.099], ['B', ' C ', 245.186, 249.463, 180.216], ['B', ' O ', 244.075, 249.099, 179.847], ['B', ' CB ', 246.269, 251.118, 178.757]]
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[['B', ' N ', 244.964, 248.001, 183.03], ['B', ' CA ', 244.083, 247.915, 184.184], ['B', ' C ', 242.626, 248.185, 183.843], ['B', ' O ', 241.743, 247.635, 184.506], ['B', ' CB ', 244.534, 248.879, 185.274], ['B', ' CG ', 245.512, 248.251, 186.228], ['B', ' CD ', 246.161, 249.286, 187.091], ['B', ' NE ', 247.321, 248.769, 187.796], ['B', ' CZ ', 247.253, 247.934, 188.822], ['B', ' NH1', 246.079, 247.52, 189.261], ['B', ' NH2', 248.358, 247.516, 189.414]]
[['B', ' N ', 242.339, 249.02, 182.839], ['B', ' CA ', 240.957, 249.142, 182.387], ['B', ' C ', 240.453, 247.827, 181.831], ['B', ' O ', 239.341, 247.393, 182.149], ['B', ' CB ', 240.798, 250.22, 181.32], ['B', ' CG ', 240.792, 251.611, 181.85], ['B', ' CD1', 240.72, 251.852, 183.197], ['B', ' CD2', 240.761, 252.68, 180.986], ['B', ' CE1', 240.695, 253.131, 183.671], ['B', ' CE2', 240.723, 253.954, 181.46], ['B', ' CZ ', 240.689, 254.18, 182.8]]
[['B', ' N ', 241.26, 247.171, 181.007], ['B', ' CA ', 240.832, 245.939, 180.368], ['B', ' C ', 240.438, 244.883, 181.39], ['B', ' O ', 239.887, 243.845, 181.015], ['B', ' CB ', 241.95, 245.431, 179.463], ['B', ' CG ', 241.433, 244.798, 178.206], ['B', ' ND2', 242.342, 244.381, 177.341], ['B', ' OD1', 240.23, 244.7, 177.999]]
[['B', ' N ', 240.712, 245.127, 182.671], ['B', ' CA ', 240.2, 244.251, 183.707], ['B', ' C ', 238.771, 244.582, 184.093], ['B', ' O ', 237.912, 243.7, 184.146]]
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[['B', ' N ', 236.571, 246.155, 182.441], ['B', ' CA ', 235.648, 245.921, 181.349], ['B', ' C ', 235.848, 246.758, 180.105], ['B', ' O ', 235.579, 246.284, 179.001]]
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[['B', ' N ', 237.788, 248.917, 177.079], ['B', ' CA ', 238.905, 248.599, 176.203], ['B', ' C ', 240.065, 249.549, 176.476], ['B', ' O ', 240.042, 250.337, 177.423], ['B', ' CB ', 238.459, 248.656, 174.751], ['B', ' CG2', 237.335, 247.684, 174.519], ['B', ' OG1', 238.0, 249.974, 174.452]]
[['B', ' N ', 241.103, 249.481, 175.642], ['B', ' CA ', 242.296, 250.299, 175.815], ['B', ' C ', 242.277, 251.584, 175.003], ['B', ' O ', 242.847, 252.59, 175.442], ['B', ' CB ', 243.539, 249.496, 175.44], ['B', ' CG ', 243.547, 248.096, 175.989], ['B', ' CD ', 244.39, 247.169, 175.152], ['B', ' NE2', 244.652, 245.976, 175.665], ['B', ' OE1', 244.802, 247.522, 174.053]]
[['B', ' N ', 241.657, 251.572, 173.824], ['B', ' CA ', 241.472, 252.813, 173.085], ['B', ' C ', 240.757, 253.857, 173.926], ['B', ' O ', 241.089, 255.047, 173.857], ['B', ' CB ', 240.721, 252.531, 171.785], ['B', ' CG ', 239.324, 251.999, 172.013], ['B', ' ND2', 238.666, 251.601, 170.936], ['B', ' OD1', 238.841, 251.94, 173.139]]
[['B', ' N ', 239.814, 253.423, 174.761], ['B', ' CA ', 239.099, 254.343, 175.636], ['B', ' C ', 240.077, 255.129, 176.491], ['B', ' O ', 239.868, 256.316, 176.763], ['B', ' CB ', 238.086, 253.571, 176.495], ['B', ' CG1', 237.659, 254.393, 177.682], ['B', ' CG2', 236.894, 253.181, 175.654]]
[['B', ' N ', 241.174, 254.497, 176.908], ['B', ' CA ', 242.192, 255.225, 177.656], ['B', ' C ', 243.069, 256.06, 176.739], ['B', ' O ', 243.22, 257.268, 176.94], ['B', ' CB ', 243.073, 254.276, 178.454], ['B', ' CG ', 244.111, 255.159, 179.136], ['B', ' CD1', 243.464, 255.892, 180.28], ['B', ' CD2', 245.306, 254.393, 179.609]]
[['B', ' N ', 243.666, 255.429, 175.728], ['B', ' CA ', 244.693, 256.119, 174.954], ['B', ' C ', 244.16, 257.37, 174.273], ['B', ' O ', 244.915, 258.325, 174.08], ['B', ' CB ', 245.313, 255.182, 173.927], ['B', ' CG ', 246.111, 254.066, 174.542], ['B', ' CD1', 247.176, 254.333, 175.381], ['B', ' CD2', 245.811, 252.748, 174.272], ['B', ' CE1', 247.906, 253.317, 175.939], ['B', ' CE2', 246.538, 251.729, 174.827], ['B', ' CZ ', 247.582, 252.019, 175.655], ['B', ' OH ', 248.309, 251.001, 176.208]]
[['B', ' N ', 242.882, 257.406, 173.908], ['B', ' CA ', 242.341, 258.653, 173.38], ['B', ' C ', 241.814, 259.592, 174.456], ['B', ' O ', 241.324, 260.674, 174.121], ['B', ' CB ', 241.245, 258.398, 172.339], ['B', ' CG ', 241.77, 257.865, 171.014], ['B', ' CD ', 241.663, 256.372, 170.863], ['B', ' OE1', 240.72, 255.784, 171.424], ['B', ' OE2', 242.524, 255.787, 170.176]]
[['B', ' N ', 241.914, 259.224, 175.73], ['B', ' CA ', 241.471, 260.08, 176.823], ['B', ' C ', 242.514, 260.135, 177.929], ['B', ' O ', 242.17, 260.237, 179.107], ['B', ' CB ', 240.135, 259.602, 177.378], ['B', ' CG ', 238.97, 260.112, 176.581], ['B', ' ND2', 237.802, 259.531, 176.801], ['B', ' OD1', 239.118, 261.012, 175.759]]
[['B', ' N ', 243.793, 260.047, 177.564], ['B', ' CA ', 244.855, 260.077, 178.561], ['B', ' C ', 244.918, 261.422, 179.266], ['B', ' O ', 245.085, 261.479, 180.487], ['B', ' CB ', 246.192, 259.758, 177.902], ['B', ' CG ', 247.316, 259.508, 178.869], ['B', ' CD ', 248.529, 258.91, 178.194], ['B', ' NE2', 249.669, 258.978, 178.862], ['B', ' OE1', 248.445, 258.402, 177.08]]
[['B', ' N ', 244.8, 262.518, 178.517], ['B', ' CA ', 244.88, 263.837, 179.133], ['B', ' C ', 243.745, 264.049, 180.124], ['B', ' O ', 243.959, 264.543, 181.239], ['B', ' CB ', 244.864, 264.915, 178.055], ['B', ' CG ', 246.041, 264.845, 177.103], ['B', ' CD ', 247.344, 265.211, 177.8], ['B', ' CE ', 248.22, 263.988, 178.031], ['B', ' NZ ', 249.546, 264.356, 178.578]]
[['B', ' N ', 242.529, 263.675, 179.733], ['B', ' CA ', 241.386, 263.848, 180.617], ['B', ' C ', 241.573, 263.074, 181.909], ['B', ' O ', 241.386, 263.619, 182.999], ['B', ' CB ', 240.106, 263.407, 179.916], ['B', ' CG ', 239.301, 264.495, 179.217], ['B', ' CD1', 240.004, 264.973, 177.957], ['B', ' CD2', 237.924, 263.965, 178.899]]
[['B', ' N ', 241.949, 261.8, 181.811], ['B', ' CA ', 242.08, 260.989, 183.014], ['B', ' C ', 243.225, 261.488, 183.881], ['B', ' O ', 243.121, 261.508, 185.111], ['B', ' CB ', 242.239, 259.504, 182.654], ['B', ' CG1', 242.126, 258.655, 183.907], ['B', ' CG2', 243.543, 259.231, 181.967], ['B', ' CD1', 241.958, 257.206, 183.616]]
[['B', ' N ', 244.326, 261.917, 183.265], ['B', ' CA ', 245.455, 262.405, 184.044], ['B', ' C ', 245.084, 263.663, 184.82], ['B', ' O ', 245.372, 263.776, 186.019], ['B', ' CB ', 246.646, 262.66, 183.126]]
[['B', ' N ', 244.436, 264.619, 184.157], ['B', ' CA ', 244.062, 265.841, 184.85], ['B', ' C ', 242.868, 265.652, 185.771], ['B', ' O ', 242.64, 266.5, 186.637], ['B', ' CB ', 243.781, 266.952, 183.843], ['B', ' CG ', 244.971, 267.238, 182.958], ['B', ' ND2', 244.729, 267.866, 181.814], ['B', ' OD1', 246.103, 266.912, 183.308]]
[['B', ' N ', 242.101, 264.576, 185.605], ['B', ' CA ', 241.073, 264.244, 186.58], ['B', ' C ', 241.672, 263.611, 187.823], ['B', ' O ', 241.145, 263.795, 188.924], ['B', ' CB ', 240.043, 263.303, 185.962], ['B', ' CG ', 238.905, 264.008, 185.258], ['B', ' CD ', 237.911, 263.044, 184.645], ['B', ' NE2', 237.999, 262.859, 183.336], ['B', ' OE1', 237.07, 262.48, 185.337]]
[['B', ' N ', 242.758, 262.857, 187.656], ['B', ' CA ', 243.442, 262.216, 188.774], ['B', ' C ', 244.243, 263.222, 189.591], ['B', ' O ', 244.253, 263.163, 190.829], ['B', ' CB ', 244.34, 261.106, 188.227], ['B', ' CG ', 245.175, 260.427, 189.255], ['B', ' CD1', 244.603, 259.864, 190.37], ['B', ' CD2', 246.535, 260.323, 189.09], ['B', ' CE1', 245.381, 259.232, 191.307], ['B', ' CE2', 247.313, 259.693, 190.026], ['B', ' CZ ', 246.738, 259.145, 191.13]]
[['B', ' N ', 244.918, 264.152, 188.916], ['B', ' CA ', 245.674, 265.17, 189.637], ['B', ' C ', 244.752, 266.051, 190.466], ['B', ' O ', 245.008, 266.29, 191.65], ['B', ' CB ', 246.484, 266.013, 188.66], ['B', ' CG ', 247.497, 265.2, 187.908], ['B', ' ND2', 247.817, 265.623, 186.697], ['B', ' OD1', 247.985, 264.195, 188.407]]
[['B', ' N ', 243.663, 266.528, 189.872], ['B', ' CA ', 242.718, 267.382, 190.571], ['B', ' C ', 241.785, 266.595, 191.476], ['B', ' O ', 240.807, 267.154, 191.982], ['B', ' CB ', 241.918, 268.211, 189.57], ['B', ' OG ', 241.092, 267.389, 188.772]]
[['B', ' N ', 242.057, 265.309, 191.677], ['B', ' CA ', 241.376, 264.517, 192.688], ['B', ' C ', 242.28, 264.106, 193.832], ['B', ' O ', 241.775, 263.84, 194.924], ['B', ' CB ', 240.76, 263.252, 192.074]]
[['B', ' N ', 243.592, 264.029, 193.613], ['B', ' CA ', 244.487, 263.855, 194.751], ['B', ' C ', 244.475, 265.072, 195.672], ['B', ' O ', 244.477, 264.907, 196.898], ['B', ' CB ', 245.927, 263.551, 194.31], ['B', ' CG1', 246.012, 262.167, 193.684], ['B', ' CG2', 246.875, 263.594, 195.485], ['B', ' CD1', 247.402, 261.801, 193.248]]
[['B', ' N ', 244.433, 266.29, 195.123], ['B', ' CA ', 244.501, 267.479, 195.96], ['B', ' C ', 243.366, 267.594, 196.96], ['B', ' O ', 243.523, 268.212, 198.022]]
[['B', ' N ', 242.208, 267.017, 196.642], ['B', ' CA ', 241.1, 267.068, 197.585], ['B', ' C ', 241.421, 266.312, 198.864], ['B', ' O ', 240.92, 266.674, 199.931], ['B', ' CB ', 239.828, 266.519, 196.947], ['B', ' CG ', 239.547, 267.071, 195.568], ['B', ' CD ', 238.834, 268.399, 195.65], ['B', ' CE ', 239.211, 269.285, 194.48], ['B', ' NZ ', 240.652, 269.645, 194.51]]
[['B', ' N ', 242.249, 265.269, 198.785], ['B', ' CA ', 242.667, 264.577, 200.0], ['B', ' C ', 243.502, 265.497, 200.872], ['B', ' O ', 243.322, 265.55, 202.094], ['B', ' CB ', 243.44, 263.296, 199.659], ['B', ' CG1', 242.731, 262.52, 198.56], ['B', ' CG2', 243.578, 262.437, 200.891], ['B', ' CD1', 243.44, 261.261, 198.198]]
[['B', ' N ', 244.445, 266.215, 200.263], ['B', ' CA ', 245.236, 267.196, 200.993], ['B', ' C ', 244.333, 268.188, 201.703], ['B', ' O ', 244.49, 268.445, 202.902], ['B', ' CB ', 246.17, 267.92, 200.026], ['B', ' CG ', 247.484, 268.369, 200.616], ['B', ' CD ', 248.414, 268.945, 199.566], ['B', ' NE2', 248.746, 270.22, 199.708], ['B', ' OE1', 248.817, 268.255, 198.63]]
[['B', ' N ', 243.359, 268.736, 200.975], ['B', ' CA ', 242.457, 269.721, 201.57], ['B', ' C ', 241.653, 269.12, 202.719], ['B', ' O ', 241.581, 269.698, 203.811], ['B', ' CB ', 241.526, 270.292, 200.502], ['B', ' CG ', 242.25, 271.191, 199.528], ['B', ' OD1', 243.357, 271.656, 199.871], ['B', ' OD2', 241.714, 271.443, 198.428]]
[['B', ' N ', 241.051, 267.951, 202.495], ['B', ' CA ', 240.198, 267.346, 203.51], ['B', ' C ', 240.983, 267.009, 204.768], ['B', ' O ', 240.494, 267.21, 205.884], ['B', ' CB ', 239.524, 266.093, 202.952], ['B', ' OG ', 239.037, 265.267, 203.995]]
[['B', ' N ', 242.199, 266.486, 204.613], ['B', ' CA ', 242.977, 266.115, 205.786], ['B', ' C ', 243.523, 267.34, 206.506], ['B', ' O ', 243.576, 267.36, 207.74], ['B', ' CB ', 244.115, 265.174, 205.392], ['B', ' CG ', 243.7, 263.757, 204.999], ['B', ' CD1', 244.912, 262.905, 204.673], ['B', ' CD2', 242.87, 263.117, 206.084]]
[['B', ' N ', 243.93, 268.373, 205.765], ['B', ' CA ', 244.517, 269.54, 206.413], ['B', ' C ', 243.464, 270.369, 207.136], ['B', ' O ', 243.734, 270.92, 208.21], ['B', ' CB ', 245.253, 270.393, 205.383], ['B', ' OG ', 246.106, 271.33, 206.017]]
[['B', ' N ', 242.262, 270.48, 206.564], ['B', ' CA ', 241.255, 271.373, 207.131], ['B', ' C ', 240.812, 270.917, 208.517], ['B', ' O ', 240.838, 271.696, 209.476], ['B', ' CB ', 240.057, 271.471, 206.188], ['B', ' OG ', 240.443, 272.008, 204.936]]
[['B', ' N ', 240.4, 269.656, 208.646], ['B', ' CA ', 239.867, 269.142, 209.901], ['B', ' C ', 240.389, 267.735, 210.146], ['B', ' O ', 240.881, 267.064, 209.236], ['B', ' CB ', 238.327, 269.112, 209.917], ['B', ' CG2', 237.739, 270.488, 209.635], ['B', ' OG1', 237.853, 268.177, 208.94]]
[['B', ' N ', 240.276, 267.295, 211.397], ['B', ' CA ', 240.567, 265.908, 211.763], ['B', ' C ', 239.307, 265.051, 211.699], ['B', ' O ', 238.973, 264.316, 212.628], ['B', ' CB ', 241.195, 265.856, 213.15]]
[['B', ' N ', 238.598, 265.142, 210.573], ['B', ' CA ', 237.331, 264.436, 210.426], ['B', ' C ', 237.538, 262.949, 210.164], ['B', ' O ', 236.789, 262.115, 210.685], ['B', ' CB ', 236.513, 265.066, 209.299], ['B', ' OG ', 236.426, 266.471, 209.455]]
[['B', ' N ', 238.546, 262.599, 209.364], ['B', ' CA ', 238.745, 261.217, 208.946], ['B', ' C ', 239.577, 260.409, 209.934], ['B', ' O ', 239.295, 259.226, 210.149], ['B', ' CB ', 239.398, 261.18, 207.564]]
[['B', ' N ', 240.591, 261.014, 210.55], ['B', ' CA ', 241.481, 260.266, 211.43], ['B', ' C ', 240.904, 260.107, 212.828], ['B', ' O ', 241.571, 260.422, 213.817], ['B', ' CB ', 242.851, 260.939, 211.52], ['B', ' CG ', 243.843, 260.664, 210.394], ['B', ' CD1', 243.44, 261.378, 209.135], ['B', ' CD2', 245.238, 261.065, 210.802]]
[['B', ' N ', 239.677, 259.609, 212.925], ['B', ' CA ', 239.093, 259.322, 214.218], ['B', ' C ', 239.234, 257.862, 214.581], ['B', ' O ', 239.271, 257.506, 215.764]]
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[['B', ' N ', 249.915, 253.299, 252.546], ['B', ' CA ', 250.428, 252.08, 253.16], ['B', ' C ', 251.225, 252.385, 254.422], ['B', ' O ', 251.021, 251.756, 255.467], ['B', ' CB ', 251.284, 251.313, 252.158], ['B', ' CG ', 251.586, 249.894, 252.615], ['B', ' CD1', 250.285, 249.166, 252.867], ['B', ' CD2', 252.412, 249.164, 251.582]]
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[['B', ' N ', 251.065, 250.98, 258.307], ['B', ' CA ', 252.277, 250.325, 258.788], ['B', ' C ', 252.752, 250.909, 260.111], ['B', ' O ', 253.296, 250.193, 260.957], ['B', ' CB ', 253.385, 250.439, 257.745], ['B', ' CG ', 253.569, 249.231, 256.831], ['B', ' CD1', 252.323, 248.981, 256.016], ['B', ' CD2', 254.777, 249.427, 255.924]]
[['B', ' N ', 252.551, 252.204, 260.294], ['B', ' CA ', 252.961, 252.875, 261.519], ['B', ' C ', 251.907, 252.838, 262.612], ['B', ' O ', 252.237, 252.567, 263.768], ['B', ' CB ', 253.331, 254.335, 261.221]]
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[['B', ' N ', 249.301, 250.823, 263.286], ['B', ' CA ', 248.834, 249.543, 263.818], ['B', ' C ', 249.902, 248.477, 263.586], ['B', ' O ', 249.937, 247.842, 262.529], ['B', ' CB ', 247.504, 249.15, 263.182], ['B', ' CG ', 246.43, 250.24, 263.22], ['B', ' CD1', 245.181, 249.815, 262.479], ['B', ' CD2', 246.101, 250.595, 264.653]]
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[['B', ' N ', 250.403, 245.506, 265.612], ['B', ' CA ', 250.104, 244.091, 265.88], ['B', ' C ', 249.365, 243.471, 264.707], ['B', ' O ', 249.218, 244.115, 263.658], ['B', ' CB ', 249.232, 244.15, 267.147], ['B', ' CG ', 248.706, 245.524, 267.225], ['B', ' CD ', 249.359, 246.374, 266.19]]
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[['B', ' N ', 244.086, 244.745, 257.59], ['B', ' CA ', 243.951, 245.958, 256.787], ['B', ' C ', 244.678, 245.812, 255.454], ['B', ' O ', 244.103, 246.055, 254.382], ['B', ' CB ', 244.464, 247.169, 257.56], ['B', ' CG ', 243.799, 247.363, 258.91], ['B', ' CD ', 242.342, 247.748, 258.794], ['B', ' NE2', 241.499, 247.117, 259.601], ['B', ' OE1', 241.976, 248.608, 257.996]]
[['B', ' N ', 245.933, 245.369, 255.497], ['B', ' CA ', 246.708, 245.216, 254.279], ['B', ' C ', 246.134, 244.111, 253.411], ['B', ' O ', 246.243, 244.172, 252.187], ['B', ' CB ', 248.185, 244.971, 254.625], ['B', ' CG1', 248.738, 246.16, 255.403], ['B', ' CG2', 249.004, 244.793, 253.372], ['B', ' CD1', 250.228, 246.16, 255.507]]
[['B', ' N ', 245.501, 243.094, 254.0], ['B', ' CA ', 244.827, 242.104, 253.169], ['B', ' C ', 243.693, 242.738, 252.386], ['B', ' O ', 243.506, 242.437, 251.202], ['B', ' CB ', 244.307, 240.946, 254.016], ['B', ' CG ', 245.368, 239.903, 254.284], ['B', ' OD1', 246.553, 240.275, 254.374], ['B', ' OD2', 245.022, 238.707, 254.385]]
[['B', ' N ', 242.928, 243.625, 253.024], ['B', ' CA ', 241.862, 244.306, 252.293], ['B', ' C ', 242.429, 245.129, 251.141], ['B', ' O ', 241.941, 245.052, 250.003], ['B', ' CB ', 241.046, 245.182, 253.24], ['B', ' CG ', 240.349, 244.398, 254.33], ['B', ' CD ', 239.395, 245.267, 255.124], ['B', ' NE ', 238.223, 245.644, 254.34], ['B', ' CZ ', 237.082, 244.963, 254.328], ['B', ' NH1', 236.952, 243.868, 255.061], ['B', ' NH2', 236.07, 245.379, 253.584]]
[['B', ' N ', 243.485, 245.902, 251.41], ['B', ' CA ', 244.093, 246.684, 250.333], ['B', ' C ', 244.647, 245.797, 249.226], ['B', ' O ', 244.503, 246.119, 248.041], ['B', ' CB ', 245.194, 247.601, 250.852], ['B', ' CG ', 244.841, 248.909, 251.553], ['B', ' CD1', 244.261, 248.707, 252.91], ['B', ' CD2', 246.084, 249.775, 251.629]]
[['B', ' N ', 245.315, 244.7, 249.584], ['B', ' CA ', 245.908, 243.835, 248.571], ['B', ' C ', 244.827, 243.223, 247.705], ['B', ' O ', 244.967, 243.145, 246.483], ['B', ' CB ', 246.776, 242.747, 249.219], ['B', ' CG1', 248.056, 243.339, 249.784], ['B', ' CG2', 247.132, 241.698, 248.203], ['B', ' CD1', 248.809, 242.355, 250.633]]
[['B', ' N ', 243.736, 242.768, 248.319], ['B', ' CA ', 242.648, 242.206, 247.532], ['B', ' C ', 242.087, 243.242, 246.57], ['B', ' O ', 241.864, 242.947, 245.39], ['B', ' CB ', 241.55, 241.678, 248.45], ['B', ' CG2', 240.413, 241.11, 247.631], ['B', ' OG1', 242.08, 240.642, 249.281]]
[['B', ' N ', 241.884, 244.47, 247.045], ['B', ' CA ', 241.364, 245.497, 246.157], ['B', ' C ', 242.289, 245.781, 244.988], ['B', ' O ', 241.861, 245.82, 243.83]]
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[['B', ' N ', 242.415, 242.883, 242.493], ['B', ' CA ', 241.229, 242.832, 241.647], ['B', ' C ', 241.275, 243.903, 240.567], ['B', ' O ', 240.956, 243.635, 239.401], ['B', ' CB ', 239.97, 242.993, 242.49], ['B', ' CG ', 238.748, 243.357, 241.677], ['B', ' CD ', 237.485, 243.371, 242.502], ['B', ' NE2', 237.636, 243.283, 243.816], ['B', ' OE1', 236.384, 243.464, 241.965]]
[['B', ' N ', 241.671, 245.124, 240.932], ['B', ' CA ', 241.733, 246.191, 239.941], ['B', ' C ', 242.741, 245.87, 238.846], ['B', ' O ', 242.463, 246.058, 237.654], ['B', ' CB ', 242.079, 247.51, 240.619], ['B', ' OG ', 243.364, 247.441, 241.195]]
[['B', ' N ', 243.913, 245.363, 239.227], ['B', ' CA ', 244.921, 245.027, 238.229], ['B', ' C ', 244.446, 243.899, 237.322], ['B', ' O ', 244.667, 243.934, 236.104], ['B', ' CB ', 246.228, 244.66, 238.923], ['B', ' CG ', 247.418, 244.344, 238.031], ['B', ' CD1', 247.712, 245.517, 237.138], ['B', ' CD2', 248.614, 244.028, 238.895]]
[['B', ' N ', 243.785, 242.89, 237.89], ['B', ' CA ', 243.295, 241.79, 237.07], ['B', ' C ', 242.249, 242.27, 236.076], ['B', ' O ', 242.242, 241.842, 234.913], ['B', ' CB ', 242.729, 240.686, 237.957], ['B', ' CG ', 242.017, 239.584, 237.205], ['B', ' CD ', 240.89, 238.98, 238.013], ['B', ' NE2', 240.115, 238.103, 237.391], ['B', ' OE1', 240.721, 239.295, 239.188]]
[['B', ' N ', 241.352, 243.156, 236.507], ['B', ' CA ', 240.355, 243.663, 235.574], ['B', ' C ', 240.935, 244.647, 234.574], ['B', ' O ', 240.281, 244.93, 233.57], ['B', ' CB ', 239.196, 244.324, 236.311], ['B', ' CG2', 238.512, 243.326, 237.23], ['B', ' OG1', 239.683, 245.432, 237.073]]
[['B', ' N ', 242.123, 245.189, 234.828], ['B', ' CA ', 242.817, 245.896, 233.756], ['B', ' C ', 243.384, 244.931, 232.725], ['B', ' O ', 243.277, 245.169, 231.515], ['B', ' CB ', 243.947, 246.751, 234.307], ['B', ' CG ', 244.924, 247.188, 233.243], ['B', ' CD1', 244.552, 248.086, 232.264], ['B', ' CD2', 246.214, 246.698, 233.217], ['B', ' CE1', 245.436, 248.49, 231.297], ['B', ' CE2', 247.105, 247.096, 232.254], ['B', ' CZ ', 246.709, 247.99, 231.296], ['B', ' OH ', 247.595, 248.39, 230.331]]
[['B', ' N ', 244.013, 243.85, 233.19], ['B', ' CA ', 244.618, 242.901, 232.26], ['B', ' C ', 243.556, 242.268, 231.377], ['B', ' O ', 243.764, 242.081, 230.174], ['B', ' CB ', 245.425, 241.833, 233.01], ['B', ' CG1', 246.159, 240.968, 232.021], ['B', ' CG2', 246.411, 242.481, 233.946]]
[['B', ' N ', 242.407, 241.92, 231.956], ['B', ' CA ', 241.344, 241.309, 231.16], ['B', ' C ', 240.833, 242.264, 230.086], ['B', ' O ', 240.596, 241.859, 228.94], ['B', ' CB ', 240.202, 240.858, 232.065], ['B', ' CG2', 238.97, 240.54, 231.248], ['B', ' OG1', 240.603, 239.692, 232.792]]
[['B', ' N ', 240.661, 243.538, 230.436], ['B', ' CA ', 240.199, 244.508, 229.453], ['B', ' C ', 241.211, 244.685, 228.336], ['B', ' O ', 240.834, 244.79, 227.165], ['B', ' CB ', 239.904, 245.848, 230.12], ['B', ' CG ', 239.325, 246.912, 229.193], ['B', ' CD ', 237.924, 246.601, 228.684], ['B', ' NE2', 237.131, 247.645, 228.48], ['B', ' OE1', 237.555, 245.447, 228.487]]
[['B', ' N ', 242.5, 244.728, 228.671], ['B', ' CA ', 243.506, 244.794, 227.617], ['B', ' C ', 243.44, 243.564, 226.725], ['B', ' O ', 243.549, 243.671, 225.5], ['B', ' CB ', 244.899, 244.939, 228.214], ['B', ' CG ', 245.264, 246.357, 228.571], ['B', ' CD ', 245.555, 247.208, 227.36], ['B', ' NE2', 244.609, 248.062, 226.999], ['B', ' OE1', 246.623, 247.113, 226.763]]
[['B', ' N ', 243.249, 242.387, 227.322], ['B', ' CA ', 243.189, 241.158, 226.539], ['B', ' C ', 242.028, 241.182, 225.556], ['B', ' O ', 242.169, 240.74, 224.412], ['B', ' CB ', 243.072, 239.952, 227.464], ['B', ' CG ', 244.369, 239.364, 228.005], ['B', ' CD1', 244.073, 238.395, 229.128], ['B', ' CD2', 245.109, 238.673, 226.889]]
[['B', ' N ', 240.865, 241.673, 225.986], ['B', ' CA ', 239.729, 241.735, 225.067], ['B', ' C ', 239.944, 242.807, 224.005], ['B', ' O ', 239.672, 242.583, 222.82], ['B', ' CB ', 238.409, 241.954, 225.823], ['B', ' CG1', 238.072, 240.736, 226.667], ['B', ' CG2', 237.289, 242.194, 224.859], ['B', ' CD1', 236.904, 240.957, 227.573]]
[['B', ' N ', 240.426, 243.984, 224.401], ['B', ' CA ', 240.626, 245.083, 223.466], ['B', ' C ', 241.71, 244.797, 222.44], ['B', ' O ', 241.67, 245.366, 221.346], ['B', ' CB ', 240.953, 246.365, 224.239], ['B', ' CG ', 241.235, 247.574, 223.373], ['B', ' CD ', 241.418, 248.836, 224.194], ['B', ' NE ', 240.154, 249.336, 224.717], ['B', ' CZ ', 239.87, 249.444, 226.009], ['B', ' NH1', 240.765, 249.093, 226.918], ['B', ' NH2', 238.693, 249.914, 226.391]]
[['B', ' N ', 242.653, 243.913, 222.746], ['B', ' CA ', 243.704, 243.546, 221.81], ['B', ' C ', 243.26, 242.508, 220.797], ['B', ' O ', 244.071, 242.092, 219.967], ['B', ' CB ', 244.922, 243.021, 222.565]]
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[['B', ' N ', 241.797, 244.834, 217.685], ['B', ' CA ', 242.93, 245.436, 216.998], ['B', ' C ', 243.563, 244.434, 216.051], ['B', ' O ', 243.887, 244.763, 214.906], ['B', ' CB ', 243.946, 245.978, 218.012], ['B', ' CG1', 243.46, 247.306, 218.58], ['B', ' CG2', 245.286, 246.16, 217.361], ['B', ' CD1', 243.44, 248.416, 217.577]]
[['B', ' N ', 243.74, 243.194, 216.499], ['B', ' CA ', 244.239, 242.163, 215.603], ['B', ' C ', 243.247, 241.827, 214.504], ['B', ' O ', 243.669, 241.515, 213.389], ['B', ' CB ', 244.593, 240.91, 216.396], ['B', ' CG ', 244.83, 239.685, 215.556], ['B', ' CD ', 245.242, 238.526, 216.432], ['B', ' NE ', 244.192, 238.158, 217.371], ['B', ' CZ ', 244.383, 237.387, 218.431], ['B', ' NH1', 245.588, 236.905, 218.69], ['B', ' NH2', 243.37, 237.103, 219.234]]
[['B', ' N ', 241.949, 241.895, 214.782], ['B', ' CA ', 240.957, 241.681, 213.74], ['B', ' C ', 241.047, 242.719, 212.637], ['B', ' O ', 240.83, 242.382, 211.471], ['B', ' CB ', 239.552, 241.688, 214.337]]
[['B', ' N ', 241.348, 243.968, 212.981], ['B', ' CA ', 241.588, 245.005, 211.988], ['B', ' C ', 242.954, 244.902, 211.325], ['B', ' O ', 243.08, 245.24, 210.144], ['B', ' CB ', 241.446, 246.392, 212.62], ['B', ' OG ', 242.065, 246.42, 213.891]]
[['B', ' N ', 243.974, 244.452, 212.044], ['B', ' CA ', 245.28, 244.219, 211.451], ['B', ' C ', 245.276, 243.079, 210.45], ['B', ' O ', 246.027, 243.134, 209.475], ['B', ' CB ', 246.312, 243.925, 212.537]]
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[['B', ' N ', 242.657, 242.441, 208.631], ['B', ' CA ', 241.974, 243.025, 207.491], ['B', ' C ', 242.875, 243.941, 206.687], ['B', ' O ', 242.766, 243.967, 205.461], ['B', ' CB ', 240.745, 243.804, 207.951], ['B', ' CG ', 239.983, 244.537, 206.855], ['B', ' CD1', 239.432, 243.539, 205.869], ['B', ' CD2', 238.867, 245.359, 207.461]]
[['B', ' N ', 243.764, 244.679, 207.342], ['B', ' CA ', 244.735, 245.492, 206.623], ['B', ' C ', 245.672, 244.658, 205.767], ['B', ' O ', 245.966, 245.042, 204.633], ['B', ' CB ', 245.555, 246.331, 207.6]]
[['B', ' N ', 246.135, 243.518, 206.277], ['B', ' CA ', 247.031, 242.668, 205.502], ['B', ' C ', 246.363, 242.15, 204.237], ['B', ' O ', 246.975, 242.156, 203.165], ['B', ' CB ', 247.52, 241.507, 206.36]]
[['B', ' N ', 245.113, 241.704, 204.329], ['B', ' CA ', 244.426, 241.187, 203.153], ['B', ' C ', 243.826, 242.277, 202.286], ['B', ' O ', 243.441, 241.993, 201.15], ['B', ' CB ', 243.318, 240.221, 203.548], ['B', ' CG2', 243.821, 239.226, 204.567], ['B', ' OG1', 242.226, 240.956, 204.101]]
[['B', ' N ', 243.717, 243.503, 202.784], ['B', ' CA ', 243.36, 244.625, 201.936], ['B', ' C ', 244.574, 245.263, 201.292], ['B', ' O ', 244.42, 246.096, 200.399], ['B', ' CB ', 242.598, 245.684, 202.74], ['B', ' CG ', 241.62, 246.486, 201.917], ['B', ' CD ', 240.919, 247.52, 202.753], ['B', ' CE ', 240.183, 246.87, 203.893], ['B', ' NZ ', 239.188, 245.897, 203.396]]
[['B', ' N ', 245.771, 244.906, 201.739], ['B', ' CA ', 246.98, 245.429, 201.138], ['B', ' C ', 247.663, 244.423, 200.232], ['B', ' O ', 248.36, 244.827, 199.3], ['B', ' CB ', 247.939, 245.892, 202.239], ['B', ' CG ', 249.339, 246.213, 201.83], ['B', ' SD ', 249.779, 247.583, 202.901], ['B', ' CE ', 251.522, 247.703, 202.64]]
[['B', ' N ', 247.463, 243.128, 200.467], ['B', ' CA ', 247.856, 242.134, 199.478], ['B', ' C ', 247.041, 242.292, 198.207], ['B', ' O ', 247.58, 242.222, 197.1], ['B', ' CB ', 247.689, 240.728, 200.045], ['B', ' OG ', 248.604, 240.495, 201.098]]
[['B', ' N ', 245.739, 242.529, 198.346], ['B', ' CA ', 244.827, 242.459, 197.212], ['B', ' C ', 244.677, 243.787, 196.481], ['B', ' O ', 244.8, 243.829, 195.256], ['B', ' CB ', 243.463, 241.964, 197.682], ['B', ' CG ', 243.485, 240.531, 198.158], ['B', ' CD ', 242.139, 240.066, 198.633], ['B', ' OE1', 241.223, 240.905, 198.705], ['B', ' OE2', 241.992, 238.868, 198.938]]
[['B', ' N ', 244.397, 244.877, 197.2], ['B', ' CA ', 244.151, 246.146, 196.521], ['B', ' C ', 245.444, 246.746, 195.979], ['B', ' O ', 245.464, 247.3, 194.876], ['B', ' CB ', 243.451, 247.135, 197.455], ['B', ' SG ', 242.07, 246.494, 198.442]]
[['B', ' N ', 246.536, 246.652, 196.736], ['B', ' CA ', 247.788, 247.27, 196.305], ['B', ' C ', 248.489, 246.4, 195.269], ['B', ' O ', 248.67, 246.804, 194.116], ['B', ' CB ', 248.702, 247.54, 197.509], ['B', ' CG1', 250.074, 247.93, 197.04], ['B', ' CG2', 248.129, 248.639, 198.358]]
[['B', ' N ', 248.88, 245.19, 195.656], ['B', ' CA ', 249.691, 244.338, 194.796], ['B', ' C ', 248.893, 243.64, 193.71], ['B', ' O ', 249.401, 242.685, 193.12], ['B', ' CB ', 250.427, 243.28, 195.62], ['B', ' CG ', 251.678, 243.642, 196.421], ['B', ' CD1', 251.35, 244.485, 197.632], ['B', ' CD2', 252.422, 242.392, 196.834]]
[['B', ' N ', 247.671, 244.069, 193.432], ['B', ' CA ', 246.889, 243.433, 192.395], ['B', ' C ', 245.751, 244.294, 191.899], ['B', ' O ', 245.898, 245.509, 191.761]]
[['B', ' N ', 244.609, 243.677, 191.618], ['B', ' CA ', 243.438, 244.427, 191.176], ['B', ' C ', 242.219, 243.59, 191.522], ['B', ' O ', 241.886, 242.658, 190.787], ['B', ' CB ', 243.506, 244.709, 189.688], ['B', ' CG ', 242.493, 245.705, 189.199], ['B', ' CD ', 242.415, 245.726, 187.7], ['B', ' NE2', 241.852, 246.788, 187.149], ['B', ' OE1', 242.874, 244.8, 187.038]]
[['B', ' N ', 241.56, 243.923, 192.624], ['B', ' CA ', 240.47, 243.105, 193.12], ['B', ' C ', 239.218, 243.319, 192.289], ['B', ' O ', 238.892, 244.446, 191.915], ['B', ' CB ', 240.178, 243.44, 194.574], ['B', ' OG ', 239.594, 244.722, 194.659]]
[['B', ' N ', 238.514, 242.227, 192.001], ['B', ' CA ', 237.224, 242.301, 191.337], ['B', ' C ', 236.062, 242.139, 192.299], ['B', ' O ', 234.914, 242.08, 191.858], ['B', ' CB ', 237.13, 241.262, 190.226], ['B', ' CG ', 237.673, 241.753, 188.9], ['B', ' CD ', 237.273, 240.825, 187.773], ['B', ' CE ', 235.767, 240.804, 187.601], ['B', ' NZ ', 235.256, 242.125, 187.159]]
[['B', ' N ', 236.326, 242.068, 193.597], ['B', ' CA ', 235.246, 242.133, 194.566], ['B', ' C ', 234.632, 243.524, 194.546], ['B', ' O ', 235.28, 244.5, 194.169], ['B', ' CB ', 235.759, 241.806, 195.964], ['B', ' CG ', 236.836, 240.747, 195.997], ['B', ' CD ', 237.506, 240.712, 197.349], ['B', ' NE ', 236.558, 240.386, 198.406], ['B', ' CZ ', 236.877, 239.744, 199.522], ['B', ' NH1', 238.126, 239.363, 199.733], ['B', ' NH2', 235.95, 239.487, 200.43]]
[['B', ' N ', 233.374, 243.617, 194.951], ['B', ' CA ', 232.641, 244.877, 194.894], ['B', ' C ', 232.671, 245.552, 196.255], ['B', ' O ', 232.56, 244.894, 197.294], ['B', ' CB ', 231.198, 244.662, 194.418], ['B', ' CG1', 230.489, 245.989, 194.301], ['B', ' CG2', 231.2, 243.952, 193.086]]
[['B', ' N ', 232.847, 246.871, 196.246], ['B', ' CA ', 232.87, 247.735, 197.422], ['B', ' C ', 233.949, 247.355, 198.422], ['B', ' O ', 233.957, 247.879, 199.538], ['B', ' CB ', 231.511, 247.773, 198.13], ['B', ' CG ', 230.453, 248.54, 197.347], ['B', ' OD1', 230.688, 248.846, 196.161], ['B', ' OD2', 229.386, 248.842, 197.926]]
[['B', ' N ', 234.865, 246.461, 198.058], ['B', ' CA ', 235.941, 246.077, 198.967], ['B', ' C ', 237.025, 247.146, 199.018], ['B', ' O ', 237.292, 247.724, 200.076], ['B', ' CB ', 236.533, 244.737, 198.537], ['B', ' CG ', 237.53, 244.174, 199.502], ['B', ' CD1', 237.193, 243.964, 200.821], ['B', ' CD2', 238.799, 243.839, 199.085], ['B', ' CE1', 238.102, 243.44, 201.701], ['B', ' CE2', 239.708, 243.321, 199.962], ['B', ' CZ ', 239.36, 243.121, 201.271]]
[['B', ' N ', 237.664, 247.414, 197.882], ['B', ' CA ', 238.659, 248.477, 197.789], ['B', ' C ', 238.0, 249.734, 197.221], ['B', ' O ', 238.221, 250.136, 196.082], ['B', ' CB ', 239.844, 248.032, 196.935], ['B', ' SG ', 240.467, 246.345, 197.201]]
[['B', ' N ', 237.159, 250.345, 198.044], ['B', ' CA ', 236.525, 251.6, 197.702], ['B', ' C ', 235.391, 251.435, 196.706], ['B', ' O ', 235.388, 250.548, 195.858]]
[['B', ' N ', 234.411, 252.329, 196.812], ['B', ' CA ', 233.211, 252.238, 195.991], ['B', ' C ', 233.496, 252.638, 194.551], ['B', ' O ', 234.182, 253.627, 194.287], ['B', ' CB ', 232.102, 253.113, 196.564], ['B', ' CG ', 230.783, 252.96, 195.84], ['B', ' CD ', 229.715, 253.858, 196.429], ['B', ' CE ', 229.204, 253.305, 197.747], ['B', ' NZ ', 228.084, 254.115, 198.291]]
[['B', ' N ', 232.946, 251.873, 193.622], ['B', ' CA ', 233.226, 252.018, 192.214], ['B', ' C ', 233.92, 250.793, 191.656], ['B', ' O ', 233.86, 249.696, 192.212]]
[['B', ' N ', 234.598, 250.994, 190.534], ['B', ' CA ', 235.413, 249.957, 189.916], ['B', ' C ', 236.868, 250.209, 190.281], ['B', ' O ', 237.532, 251.046, 189.668], ['B', ' CB ', 235.21, 249.943, 188.407], ['B', ' CG ', 233.825, 249.512, 188.026], ['B', ' CD1', 233.478, 248.179, 188.01], ['B', ' CD2', 232.853, 250.44, 187.723], ['B', ' CE1', 232.208, 247.781, 187.68], ['B', ' CE2', 231.579, 250.052, 187.396], ['B', ' CZ ', 231.263, 248.722, 187.377], ['B', ' OH ', 229.992, 248.328, 187.048]]
[['B', ' N ', 237.365, 249.473, 191.267], ['B', ' CA ', 238.704, 249.709, 191.783], ['B', ' C ', 239.753, 249.311, 190.762], ['B', ' O ', 239.657, 248.246, 190.15], ['B', ' CB ', 238.908, 248.917, 193.065], ['B', ' CG ', 240.341, 248.743, 193.445], ['B', ' CD2', 241.169, 249.521, 194.177], ['B', ' ND1', 241.073, 247.636, 193.084], ['B', ' CE1', 242.296, 247.745, 193.567], ['B', ' NE2', 242.38, 248.88, 194.235]]
[['B', ' N ', 240.765, 250.159, 190.584], ['B', ' CA ', 241.826, 249.865, 189.633], ['B', ' C ', 243.248, 250.111, 190.133], ['B', ' O ', 244.168, 249.49, 189.593], ['B', ' CB ', 241.592, 250.639, 188.328], ['B', ' CG ', 241.548, 252.156, 188.295], ['B', ' CD1', 242.929, 252.728, 188.188], ['B', ' CD2', 240.72, 252.593, 187.127]]
[['B', ' N ', 243.47, 250.956, 191.136], ['B', ' CA ', 244.803, 251.122, 191.71], ['B', ' C ', 244.65, 251.519, 193.17], ['B', ' O ', 243.539, 251.738, 193.652], ['B', ' CB ', 245.622, 252.155, 190.933], ['B', ' CG ', 246.314, 251.583, 189.717], ['B', ' SD ', 247.687, 252.518, 189.037], ['B', ' CE ', 248.572, 252.929, 190.52]]
[['B', ' N ', 245.77, 251.598, 193.883], ['B', ' CA ', 245.754, 252.066, 195.265], ['B', ' C ', 247.183, 252.251, 195.745], ['B', ' O ', 248.116, 251.634, 195.227], ['B', ' CB ', 245.015, 251.103, 196.188], ['B', ' OG ', 245.685, 249.863, 196.248]]
[['B', ' N ', 247.339, 253.107, 196.756], ['B', ' CA ', 248.633, 253.483, 197.289], ['B', ' C ', 248.564, 253.453, 198.809], ['B', ' O ', 247.613, 253.997, 199.388], ['B', ' CB ', 249.026, 254.876, 196.813], ['B', ' CG ', 248.753, 255.117, 195.368], ['B', ' CD1', 249.64, 254.686, 194.409], ['B', ' CD2', 247.606, 255.759, 194.967], ['B', ' CE1', 249.396, 254.905, 193.088], ['B', ' CE2', 247.358, 255.975, 193.645], ['B', ' CZ ', 248.254, 255.55, 192.704]]
[['B', ' N ', 249.532, 252.846, 199.482], ['B', ' CA ', 249.534, 252.851, 200.944], ['B', ' C ', 250.29, 254.037, 201.514], ['B', ' O ', 251.303, 254.484, 200.979], ['B', ' CB ', 250.249, 251.539, 201.278], ['B', ' CG ', 251.221, 251.39, 200.169], ['B', ' CD ', 250.579, 251.971, 198.939]]
[['B', ' N ', 249.774, 254.555, 202.622], ['B', ' CA ', 250.406, 255.672, 203.306], ['B', ' C ', 250.358, 255.398, 204.796], ['B', ' O ', 249.298, 255.061, 205.325], ['B', ' CB ', 249.708, 256.993, 202.984], ['B', ' CG ', 249.788, 257.399, 201.533], ['B', ' CD ', 251.205, 257.483, 201.033], ['B', ' NE2', 252.082, 258.055, 201.84], ['B', ' OE1', 251.511, 257.044, 199.93]]
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[['B', ' N ', 216.913, 248.648, 172.847], ['B', ' CA ', 217.855, 247.548, 172.722], ['B', ' C ', 217.153, 246.312, 172.179], ['B', ' O ', 215.937, 246.293, 171.978], ['B', ' CB ', 218.514, 247.235, 174.063], ['B', ' CG2', 217.47, 246.881, 175.073], ['B', ' OG1', 219.396, 246.123, 173.904]]
[['B', ' N ', 217.939, 245.264, 171.939], ['B', ' CA ', 217.411, 244.019, 171.41], ['B', ' C ', 218.307, 242.887, 171.86], ['B', ' O ', 219.533, 243.03, 171.791], ['B', ' CB ', 217.34, 244.048, 169.884]]
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[['B', ' N ', 218.404, 239.639, 163.563], ['B', ' CA ', 217.932, 238.498, 162.776], ['B', ' C ', 218.224, 238.762, 161.303], ['B', ' O ', 217.461, 239.46, 160.633], ['B', ' CB ', 216.447, 238.266, 163.011], ['B', ' SG ', 215.738, 236.835, 162.188]]
[['B', ' N ', 219.31, 238.188, 160.793], ['B', ' CA ', 219.719, 238.382, 159.407], ['B', ' C ', 219.646, 237.062, 158.657], ['B', ' O ', 220.399, 236.131, 158.962], ['B', ' CB ', 221.132, 238.95, 159.322], ['B', ' CG ', 221.529, 239.361, 157.941], ['B', ' CD2', 222.729, 239.349, 157.317], ['B', ' ND1', 220.63, 239.878, 157.035], ['B', ' CE1', 221.259, 240.161, 155.909], ['B', ' NE2', 222.533, 239.847, 156.053]]
[['B', ' N ', 218.756, 236.993, 157.667], ['B', ' CA ', 218.589, 235.814, 156.82], ['B', ' C ', 218.309, 234.565, 157.657], ['B', ' O ', 219.062, 233.593, 157.651], ['B', ' CB ', 219.812, 235.611, 155.919], ['B', ' CG ', 219.818, 236.544, 154.724], ['B', ' OD1', 218.872, 237.346, 154.593], ['B', ' OD2', 220.768, 236.473, 153.916]]
[['B', ' N ', 217.207, 234.617, 158.395], ['B', ' CA ', 216.709, 233.441, 159.076], ['B', ' C ', 217.34, 233.124, 160.414], ['B', ' O ', 216.685, 232.535, 161.275]]
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[['B', ' N ', 221.668, 236.64, 165.253], ['B', ' CA ', 223.041, 237.027, 165.549], ['B', ' C ', 223.125, 237.596, 166.955], ['B', ' O ', 222.797, 238.757, 167.186], ['B', ' CB ', 223.526, 238.042, 164.526], ['B', ' CG ', 223.507, 237.535, 163.125], ['B', ' CD2', 222.523, 237.511, 162.2], ['B', ' ND1', 224.603, 236.951, 162.533], ['B', ' CE1', 224.298, 236.595, 161.3], ['B', ' NE2', 223.04, 236.922, 161.073]]
[['B', ' N ', 223.591, 236.792, 167.9], ['B', ' CA ', 223.828, 237.294, 169.239], ['B', ' C ', 225.096, 238.144, 169.271], ['B', ' O ', 225.983, 237.978, 168.437], ['B', ' CB ', 223.947, 236.135, 170.216], ['B', ' CG ', 222.659, 235.436, 170.477], ['B', ' CD1', 221.754, 235.95, 171.368], ['B', ' CD2', 222.361, 234.26, 169.84], ['B', ' CE1', 220.577, 235.308, 171.61], ['B', ' CE2', 221.184, 233.617, 170.083], ['B', ' CZ ', 220.291, 234.139, 170.97]]
[['B', ' N ', 225.215, 239.059, 170.236], ['B', ' CA ', 226.402, 239.916, 170.29], ['B', ' C ', 227.534, 239.284, 171.074], ['B', ' O ', 227.308, 238.783, 172.176], ['B', ' CB ', 225.888, 241.175, 170.991], ['B', ' CG ', 224.664, 240.742, 171.733], ['B', ' CD ', 224.316, 239.334, 171.362]]
[['B', ' N ', 228.751, 239.315, 170.529], ['B', ' CA ', 229.865, 238.615, 171.159], ['B', ' C ', 230.078, 239.092, 172.588], ['B', ' O ', 229.889, 238.335, 173.544], ['B', ' CB ', 231.135, 238.804, 170.337], ['B', ' CG ', 232.302, 237.989, 170.828], ['B', ' CD ', 233.243, 237.663, 169.692], ['B', ' NE ', 232.909, 236.389, 169.068], ['B', ' CZ ', 233.318, 236.024, 167.86], ['B', ' NH1', 234.075, 236.84, 167.143], ['B', ' NH2', 232.968, 234.845, 167.369]]
[['B', ' N ', 230.459, 240.354, 172.754], ['B', ' CA ', 230.597, 240.924, 174.094], ['B', ' C ', 230.176, 242.39, 174.001], ['B', ' O ', 230.98, 243.263, 173.672], ['B', ' CB ', 232.011, 240.772, 174.628], ['B', ' CG ', 232.096, 240.778, 176.146], ['B', ' CD ', 231.597, 239.486, 176.771], ['B', ' OE1', 230.445, 239.464, 177.252], ['B', ' OE2', 232.357, 238.495, 176.787]]
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[['B', ' N ', 223.477, 245.313, 171.787], ['B', ' CA ', 222.903, 246.032, 170.666], ['B', ' C ', 222.085, 247.2, 171.191], ['B', ' O ', 221.347, 247.066, 172.167], ['B', ' CB ', 222.016, 245.114, 169.832], ['B', ' CG ', 222.757, 244.023, 169.137], ['B', ' CD1', 223.833, 244.305, 168.339], ['B', ' CD2', 222.368, 242.711, 169.278], ['B', ' CE1', 224.512, 243.298, 167.697], ['B', ' CE2', 223.042, 241.705, 168.64], ['B', ' CZ ', 224.113, 241.998, 167.85]]
[['B', ' N ', 222.226, 248.357, 170.548], ['B', ' CA ', 221.461, 249.548, 170.886], ['B', ' C ', 221.09, 250.256, 169.593], ['B', ' O ', 221.58, 249.918, 168.516], ['B', ' CB ', 222.229, 250.496, 171.82], ['B', ' CG1', 222.353, 249.893, 173.193], ['B', ' CG2', 223.595, 250.761, 171.259]]
[['B', ' N ', 220.21, 251.249, 169.705], ['B', ' CA ', 219.682, 251.928, 168.53], ['B', ' C ', 219.593, 253.421, 168.794], ['B', ' O ', 219.928, 253.904, 169.877], ['B', ' CB ', 218.309, 251.382, 168.139], ['B', ' OG ', 217.296, 251.93, 168.953]]
[['B', ' N ', 219.139, 254.157, 167.777], ['B', ' CA ', 218.896, 255.589, 167.884], ['B', ' C ', 217.58, 256.037, 167.28], ['B', ' O ', 217.197, 257.193, 167.479], ['B', ' CB ', 220.014, 256.384, 167.208], ['B', ' CG ', 221.33, 256.182, 167.869], ['B', ' ND2', 221.432, 256.611, 169.119], ['B', ' OD1', 222.251, 255.628, 167.28]]
[['B', ' N ', 216.888, 255.178, 166.549], ['B', ' CA ', 215.674, 255.56, 165.869], ['B', ' C ', 215.696, 255.022, 164.459], ['B', ' O ', 214.655, 254.669, 163.898]]
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[['B', ' N ', 219.261, 253.551, 163.2], ['B', ' CA ', 220.434, 252.704, 163.09], ['B', ' C ', 220.482, 251.724, 164.257], ['B', ' O ', 219.669, 251.776, 165.179], ['B', ' CB ', 221.701, 253.559, 163.05], ['B', ' CG ', 221.68, 254.629, 162.004], ['B', ' CD2', 221.619, 254.558, 160.654], ['B', ' ND1', 221.743, 255.97, 162.314], ['B', ' CE1', 221.713, 256.68, 161.201], ['B', ' NE2', 221.64, 255.847, 160.179]]
[['B', ' N ', 221.451, 250.816, 164.201], ['B', ' CA ', 221.768, 249.938, 165.313], ['B', ' C ', 223.277, 249.767, 165.367], ['B', ' O ', 223.972, 249.941, 164.365], ['B', ' CB ', 221.095, 248.572, 165.184], ['B', ' CG ', 219.604, 248.595, 165.237], ['B', ' CD1', 218.759, 249.034, 164.269], ['B', ' CD2', 218.778, 248.126, 166.305], ['B', ' CE2', 217.448, 248.325, 165.92], ['B', ' CE3', 219.038, 247.563, 167.551], ['B', ' NE1', 217.459, 248.88, 164.671], ['B', ' CZ2', 216.387, 247.984, 166.73], ['B', ' CZ3', 217.983, 247.231, 168.353], ['B', ' CH2', 216.676, 247.44, 167.943]]
[['B', ' N ', 223.782, 249.417, 166.546], ['B', ' CA ', 225.216, 249.335, 166.773], ['B', ' C ', 225.489, 248.226, 167.776], ['B', ' O ', 224.583, 247.507, 168.193], ['B', ' CB ', 225.76, 250.672, 167.269], ['B', ' CG ', 225.444, 251.829, 166.368], ['B', ' CD1', 226.036, 251.937, 165.128], ['B', ' CD2', 224.561, 252.809, 166.762], ['B', ' CE1', 225.753, 252.989, 164.298], ['B', ' CE2', 224.281, 253.866, 165.935], ['B', ' CZ ', 224.875, 253.955, 164.703]]
[['B', ' N ', 226.752, 248.082, 168.163], ['B', ' CA ', 227.104, 247.144, 169.22], ['B', ' C ', 228.197, 247.729, 170.109], ['B', ' O ', 229.376, 247.754, 169.752], ['B', ' CB ', 227.47, 245.769, 168.622], ['B', ' CG1', 228.71, 245.829, 167.756], ['B', ' CG2', 227.658, 244.746, 169.721]]
[['B', ' N ', 227.805, 248.215, 171.28], ['B', ' CA ', 228.692, 248.96, 172.155], ['B', ' C ', 229.177, 248.085, 173.299], ['B', ' O ', 228.812, 246.919, 173.427], ['B', ' CB ', 227.985, 250.187, 172.72], ['B', ' CG2', 227.485, 251.054, 171.602], ['B', ' OG1', 226.861, 249.766, 173.497]]
[['B', ' N ', 229.998, 248.67, 174.157], ['B', ' CA ', 230.456, 247.993, 175.359], ['B', ' C ', 229.438, 248.225, 176.464], ['B', ' O ', 228.3, 248.627, 176.221], ['B', ' CB ', 231.839, 248.488, 175.765], ['B', ' CG ', 232.803, 248.652, 174.626], ['B', ' CD ', 233.783, 249.757, 174.89], ['B', ' NE2', 234.418, 250.247, 173.84], ['B', ' OE1', 233.95, 250.185, 176.025]]
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[['B', ' N ', 227.783, 295.269, 271.052], ['B', ' CA ', 228.932, 295.336, 270.161], ['B', ' C ', 228.993, 296.589, 269.291], ['B', ' O ', 229.043, 296.478, 268.061], ['B', ' CB ', 228.941, 294.092, 269.276], ['B', ' CG ', 229.619, 292.915, 269.94], ['B', ' OD1', 229.985, 293.035, 271.127], ['B', ' OD2', 229.778, 291.869, 269.28]]
[['B', ' N ', 229.007, 297.791, 269.869], ['B', ' CA ', 229.302, 298.976, 269.058], ['B', ' C ', 230.795, 299.262, 269.036], ['B', ' O ', 231.582, 298.476, 269.57], ['B', ' CB ', 228.511, 300.091, 269.757], ['B', ' CG ', 228.117, 299.531, 271.119], ['B', ' CD ', 228.724, 298.164, 271.262]]
[['B', ' N ', 231.205, 300.361, 268.411], ['B', ' CA ', 232.606, 300.757, 268.453], ['B', ' C ', 232.922, 301.404, 269.797], ['B', ' O ', 232.147, 302.225, 270.297], ['B', ' CB ', 232.919, 301.721, 267.312], ['B', ' CG ', 232.538, 303.142, 267.597], ['B', ' CD1', 231.212, 303.523, 267.625], ['B', ' CD2', 233.506, 304.095, 267.846], ['B', ' CE1', 230.858, 304.826, 267.893], ['B', ' CE2', 233.158, 305.399, 268.112], ['B', ' CZ ', 231.832, 305.765, 268.136]]
[['B', ' N ', 234.041, 301.005, 270.41], ['B', ' CA ', 234.462, 301.605, 271.673], ['B', ' C ', 235.849, 302.231, 271.601], ['B', ' O ', 235.999, 303.417, 271.911], ['B', ' CB ', 234.394, 300.554, 272.791], ['B', ' CG ', 234.53, 301.028, 274.241], ['B', ' CD1', 233.697, 300.147, 275.155], ['B', ' CD2', 235.982, 301.016, 274.693]]
[['B', ' N ', 236.869, 301.476, 271.201], ['B', ' CA ', 238.244, 301.907, 271.385], ['B', ' C ', 238.916, 302.604, 270.22], ['B', ' O ', 239.896, 302.086, 269.676]]
[['B', ' N ', 238.421, 303.776, 269.83], ['B', ' CA ', 239.037, 304.53, 268.742], ['B', ' C ', 240.445, 304.961, 269.13], ['B', ' O ', 241.427, 304.361, 268.696], ['B', ' CB ', 238.188, 305.752, 268.346], ['B', ' CG1', 236.849, 305.31, 267.776], ['B', ' CG2', 237.993, 306.674, 269.54]]
[['B', ' N ', 240.35, 285.965, 282.564], ['B', ' CA ', 241.112, 284.914, 281.904], ['B', ' C ', 240.705, 284.815, 280.441], ['B', ' O ', 239.521, 284.905, 280.116], ['B', ' CB ', 240.903, 283.57, 282.607], ['B', ' CG ', 241.494, 283.543, 284.008], ['B', ' ND2', 240.707, 283.087, 284.985], ['B', ' OD1', 242.648, 283.921, 284.209]]
[['B', ' N ', 241.685, 284.619, 279.559], ['B', ' CA ', 241.415, 284.585, 278.129], ['B', ' C ', 242.402, 283.645, 277.454], ['B', ' O ', 243.458, 283.326, 278.007], ['B', ' CB ', 241.511, 285.985, 277.509], ['B', ' SG ', 240.698, 286.179, 275.896]]
[['B', ' N ', 242.041, 283.202, 276.254], ['B', ' CA ', 242.9, 282.342, 275.452], ['B', ' C ', 243.916, 283.191, 274.688], ['B', ' O ', 244.128, 284.372, 274.976], ['B', ' CB ', 242.071, 281.466, 274.518], ['B', ' CG2', 241.456, 280.307, 275.272], ['B', ' OG1', 241.037, 282.251, 273.914]]
[['B', ' N ', 244.555, 282.584, 273.697], ['B', ' CA ', 245.787, 283.109, 273.127], ['B', ' C ', 245.515, 284.264, 272.162], ['B', ' O ', 244.413, 284.811, 272.077], ['B', ' CB ', 246.554, 281.984, 272.443], ['B', ' CG ', 245.915, 281.503, 271.176], ['B', ' CD1', 244.849, 280.623, 271.213], ['B', ' CD2', 246.384, 281.928, 269.947], ['B', ' CE1', 244.267, 280.179, 270.052], ['B', ' CE2', 245.804, 281.488, 268.785], ['B', ' CZ ', 244.747, 280.611, 268.836]]
[['B', ' N ', 246.559, 284.651, 271.432], ['B', ' CA ', 246.533, 285.814, 270.551], ['B', ' C ', 247.409, 285.486, 269.35], ['B', ' O ', 248.6, 285.212, 269.52], ['B', ' CB ', 247.064, 287.05, 271.271], ['B', ' CG ', 246.323, 287.429, 272.531], ['B', ' CD ', 244.955, 287.985, 272.25], ['B', ' OE1', 244.805, 288.685, 271.231], ['B', ' OE2', 244.034, 287.726, 273.047]]
[['B', ' N ', 246.836, 285.505, 268.147], ['B', ' CA ', 247.633, 285.375, 266.928], ['B', ' C ', 247.706, 286.741, 266.252], ['B', ' O ', 246.946, 287.062, 265.342], ['B', ' CB ', 247.058, 284.313, 266.0], ['B', ' CG ', 247.732, 284.282, 264.647], ['B', ' CD1', 249.113, 284.388, 264.534], ['B', ' CD2', 246.992, 284.16, 263.483], ['B', ' CE1', 249.736, 284.367, 263.295], ['B', ' CE2', 247.605, 284.136, 262.242], ['B', ' CZ ', 248.974, 284.24, 262.152], ['B', ' OH ', 249.578, 284.219, 260.914]]
[['B', ' N ', 248.661, 287.55, 266.707], ['B', ' CA ', 248.897, 288.848, 266.095], ['B', ' C ', 249.525, 288.647, 264.72], ['B', ' O ', 250.219, 287.655, 264.468], ['B', ' CB ', 249.794, 289.7, 267.012], ['B', ' CG1', 250.118, 291.04, 266.386], ['B', ' CG2', 249.134, 289.888, 268.359]]
[['B', ' N ', 249.266, 289.582, 263.812], ['B', ' CA ', 249.889, 289.543, 262.495], ['B', ' C ', 250.011, 290.942, 261.894], ['B', ' O ', 249.054, 291.715, 261.891], ['B', ' CB ', 249.099, 288.63, 261.557], ['B', ' OG ', 249.674, 288.601, 260.261]]
[['B', ' N ', 236.933, 303.898, 244.888], ['B', ' CA ', 235.797, 302.986, 244.886], ['B', ' C ', 236.243, 301.578, 244.505], ['B', ' O ', 235.471, 300.624, 244.592], ['B', ' CB ', 234.716, 303.48, 243.923], ['B', ' CG ', 233.378, 302.828, 244.121], ['B', ' CD1', 232.534, 303.245, 245.136], ['B', ' CD2', 232.963, 301.797, 243.295], ['B', ' CE1', 231.301, 302.648, 245.321], ['B', ' CE2', 231.733, 301.195, 243.475], ['B', ' CZ ', 230.9, 301.622, 244.489]]
[['B', ' N ', 237.504, 301.453, 244.094], ['B', ' CA ', 238.025, 300.174, 243.628], ['B', ' C ', 238.509, 299.316, 244.789], ['B', ' O ', 239.627, 298.792, 244.757], ['B', ' CB ', 239.164, 300.396, 242.63], ['B', ' CG ', 238.724, 300.485, 241.178], ['B', ' CD ', 238.057, 301.816, 240.878], ['B', ' CE ', 239.006, 302.981, 241.092], ['B', ' NZ ', 238.403, 304.267, 240.644]]
[['B', ' N ', 237.672, 299.157, 245.811], ['B', ' CA ', 237.966, 298.29, 246.948], ['B', ' C ', 236.758, 297.4, 247.201], ['B', ' O ', 235.689, 297.886, 247.585], ['B', ' CB ', 238.329, 299.095, 248.198], ['B', ' CG ', 239.74, 299.655, 248.146], ['B', ' ND2', 240.724, 298.766, 248.175], ['B', ' OD1', 239.943, 300.868, 248.096]]
[['B', ' N ', 236.936, 296.099, 246.985], ['B', ' CA ', 235.875, 295.106, 247.116], ['B', ' C ', 236.387, 294.044, 248.082], ['B', ' O ', 236.988, 293.057, 247.654], ['B', ' CB ', 235.519, 294.497, 245.76], ['B', ' CG ', 234.658, 295.262, 244.753], ['B', ' CD1', 235.418, 296.426, 244.132], ['B', ' CD2', 234.15, 294.327, 243.676]]
[['B', ' N ', 236.164, 294.246, 249.375], ['B', ' CA ', 236.498, 293.208, 250.338], ['B', ' C ', 235.718, 291.946, 249.998], ['B', ' O ', 234.565, 292.004, 249.568], ['B', ' CB ', 236.175, 293.671, 251.756], ['B', ' CG ', 236.753, 292.802, 252.844], ['B', ' CD ', 238.247, 293.003, 252.893], ['B', ' NE ', 238.598, 294.409, 253.085], ['B', ' CZ ', 238.92, 294.952, 254.253], ['B', ' NH1', 238.956, 294.205, 255.348], ['B', ' NH2', 239.221, 296.24, 254.322]]
[['B', ' N ', 236.359, 290.793, 250.16], ['B', ' CA ', 235.804, 289.566, 249.599], ['B', ' C ', 236.316, 288.402, 250.436], ['B', ' O ', 237.434, 287.933, 250.21], ['B', ' CB ', 236.231, 289.445, 248.139], ['B', ' CG ', 235.712, 288.26, 247.338], ['B', ' CD ', 234.206, 288.286, 247.131], ['B', ' OE1', 233.612, 289.381, 247.157], ['B', ' OE2', 233.621, 287.216, 246.881]]
[['B', ' N ', 235.514, 287.93, 251.389], ['B', ' CA ', 235.969, 286.961, 252.378], ['B', ' C ', 235.248, 285.63, 252.233], ['B', ' O ', 234.305, 285.482, 251.457], ['B', ' CB ', 235.749, 287.468, 253.807], ['B', ' CG ', 236.817, 288.38, 254.309], ['B', ' CD1', 237.81, 288.839, 253.475], ['B', ' CD2', 236.827, 288.776, 255.629], ['B', ' CE1', 238.788, 289.681, 253.949], ['B', ' CE2', 237.802, 289.617, 256.103], ['B', ' CZ ', 238.783, 290.069, 255.264]]
[['B', ' N ', 235.715, 284.668, 253.027], ['B', ' CA ', 235.11, 283.353, 253.231], ['B', ' C ', 235.451, 282.919, 254.646], ['B', ' O ', 236.565, 283.16, 255.112], ['B', ' CB ', 235.62, 282.302, 252.225], ['B', ' CG1', 235.176, 280.925, 252.631], ['B', ' CG2', 235.112, 282.59, 250.84]]
[['B', ' N ', 234.506, 282.302, 255.346], ['B', ' CA ', 234.755, 281.777, 256.682], ['B', ' C ', 234.268, 280.341, 256.772], ['B', ' O ', 233.29, 279.969, 256.123], ['B', ' CB ', 234.073, 282.618, 257.758], ['B', ' CG ', 234.643, 283.998, 257.906], ['B', ' CD1', 234.535, 284.928, 256.891], ['B', ' CD2', 235.26, 284.374, 259.077], ['B', ' CE1', 235.049, 286.189, 257.032], ['B', ' CE2', 235.772, 285.637, 259.223], ['B', ' CZ ', 235.664, 286.547, 258.197]]
[['B', ' N ', 234.952, 279.531, 257.572], ['B', ' CA ', 234.603, 278.124, 257.673], ['B', ' C ', 235.133, 277.572, 258.989], ['B', ' O ', 236.037, 278.142, 259.602], ['B', ' CB ', 235.153, 277.338, 256.476], ['B', ' CG ', 234.361, 276.094, 256.137], ['B', ' CD ', 234.968, 275.349, 254.968], ['B', ' CE ', 236.065, 274.414, 255.422], ['B', ' NZ ', 236.51, 273.518, 254.322]]
[['B', ' N ', 234.548, 276.459, 259.429], ['B', ' CA ', 234.929, 275.854, 260.704], ['B', ' C ', 234.591, 274.369, 260.63], ['B', ' O ', 233.442, 273.983, 260.857], ['B', ' CB ', 234.208, 276.538, 261.857], ['B', ' CG ', 234.552, 275.947, 263.215], ['B', ' ND2', 234.018, 276.553, 264.265], ['B', ' OD1', 235.281, 274.963, 263.321]]
[['B', ' N ', 235.593, 273.546, 260.332], ['B', ' CA ', 235.426, 272.101, 260.254], ['B', ' C ', 236.584, 271.43, 260.975], ['B', ' O ', 237.715, 271.928, 260.949], ['B', ' CB ', 235.343, 271.608, 258.795], ['B', ' CG1', 236.623, 271.958, 258.039], ['B', ' CG2', 234.128, 272.191, 258.098], ['B', ' CD1', 236.93, 271.011, 256.895]]
[['B', ' N ', 236.289, 270.318, 261.65], ['B', ' CA ', 237.248, 269.415, 262.28], ['B', ' C ', 237.916, 270.095, 263.478], ['B', ' O ', 238.731, 269.476, 264.163], ['B', ' CB ', 238.303, 268.927, 261.268], ['B', ' CG ', 239.194, 267.801, 261.794], ['B', ' OD1', 239.057, 267.365, 262.954], ['B', ' OD2', 240.057, 267.343, 261.018]]
[['B', ' N ', 237.578, 271.345, 263.768], ['B', ' CA ', 238.212, 272.082, 264.843], ['B', ' C ', 239.176, 273.152, 264.384], ['B', ' O ', 239.829, 273.775, 265.232]]
[['B', ' N ', 239.312, 273.397, 263.087], ['B', ' CA ', 240.157, 274.463, 262.57], ['B', ' C ', 239.263, 275.532, 261.966], ['B', ' O ', 238.497, 275.251, 261.04], ['B', ' CB ', 241.133, 273.933, 261.522], ['B', ' CG ', 242.245, 273.085, 262.078], ['B', ' CD1', 243.44, 273.655, 262.48], ['B', ' CD2', 242.102, 271.711, 262.193], ['B', ' CE1', 244.46, 272.884, 262.983], ['B', ' CE2', 243.117, 270.93, 262.695], ['B', ' CZ ', 244.294, 271.521, 263.09], ['B', ' OH ', 245.312, 270.746, 263.594]]
[['B', ' N ', 239.361, 276.749, 262.48], ['B', ' CA ', 238.607, 277.87, 261.939], ['B', ' C ', 239.402, 278.477, 260.792], ['B', ' O ', 240.504, 278.996, 261.004], ['B', ' CB ', 238.331, 278.909, 263.022], ['B', ' CG ', 237.788, 280.201, 262.497], ['B', ' CD1', 236.444, 280.337, 262.226], ['B', ' CD2', 238.622, 281.282, 262.283], ['B', ' CE1', 235.946, 281.52, 261.748], ['B', ' CE2', 238.128, 282.467, 261.803], ['B', ' CZ ', 236.789, 282.587, 261.536]]
[['B', ' N ', 238.85, 278.412, 259.583], ['B', ' CA ', 239.543, 278.891, 258.4], ['B', ' C ', 239.184, 280.345, 258.114], ['B', ' O ', 238.424, 280.983, 258.84], ['B', ' CB ', 239.218, 278.013, 257.196], ['B', ' CG ', 240.12, 276.815, 257.04], ['B', ' CD ', 239.729, 275.701, 257.972], ['B', ' CE ', 240.024, 274.362, 257.334], ['B', ' NZ ', 239.64, 273.23, 258.215]]
[['B', ' N ', 239.758, 280.876, 257.04], ['B', ' CA ', 239.469, 282.219, 256.563], ['B', ' C ', 240.077, 282.321, 255.171], ['B', ' O ', 241.05, 281.624, 254.867], ['B', ' CB ', 240.028, 283.284, 257.523], ['B', ' CG1', 239.383, 284.646, 257.281], ['B', ' CG2', 241.513, 283.407, 257.364], ['B', ' CD1', 239.637, 285.64, 258.399]]
[['B', ' N ', 239.503, 283.149, 254.302], ['B', ' CA ', 240.013, 283.296, 252.945], ['B', ' C ', 239.749, 284.718, 252.482], ['B', ' O ', 238.833, 285.373, 252.982], ['B', ' CB ', 239.36, 282.294, 251.989], ['B', ' CG ', 239.681, 280.843, 252.283], ['B', ' CD1', 240.805, 280.24, 251.751], ['B', ' CD2', 238.855, 280.077, 253.086], ['B', ' CE1', 241.097, 278.923, 252.015], ['B', ' CE2', 239.143, 278.759, 253.353], ['B', ' CZ ', 240.265, 278.19, 252.817], ['B', ' OH ', 240.557, 276.876, 253.075]]
[['B', ' N ', 240.549, 285.201, 251.53], ['B', ' CA ', 240.389, 286.598, 251.138], ['B', ' C ', 241.117, 286.907, 249.844], ['B', ' O ', 242.103, 286.256, 249.496], ['B', ' CB ', 240.904, 287.543, 252.222], ['B', ' OG ', 240.926, 288.876, 251.743]]
[['B', ' N ', 240.624, 287.938, 249.157], ['B', ' CA ', 241.302, 288.586, 248.042], ['B', ' C ', 240.586, 289.9, 247.76], ['B', ' O ', 239.356, 289.959, 247.798], ['B', ' CB ', 241.319, 287.72, 246.777], ['B', ' CG ', 242.08, 288.359, 245.622], ['B', ' CD ', 241.818, 287.653, 244.305], ['B', ' CE ', 242.5, 288.334, 243.124], ['B', ' NZ ', 243.96, 288.054, 243.046]]
[['B', ' N ', 241.357, 290.948, 247.489], ['B', ' CA ', 240.82, 292.251, 247.118], ['B', ' C ', 241.085, 292.456, 245.635], ['B', ' O ', 242.221, 292.285, 245.181], ['B', ' CB ', 241.462, 293.378, 247.926], ['B', ' CG ', 241.49, 293.14, 249.404], ['B', ' CD2', 242.016, 293.862, 250.421], ['B', ' ND1', 240.919, 292.027, 249.981], ['B', ' CE1', 241.086, 292.077, 251.29], ['B', ' NE2', 241.749, 293.18, 251.583]]
[['B', ' N ', 240.054, 292.826, 244.886], ['B', ' CA ', 240.162, 292.954, 243.434], ['B', ' C ', 239.4, 294.172, 242.934], ['B', ' O ', 238.183, 294.286, 243.189], ['B', ' CB ', 239.651, 291.691, 242.75], ['B', ' CG2', 239.902, 291.767, 241.261], ['B', ' OG1', 240.345, 290.557, 243.277]]
[['B', ' N ', 240.051, 295.088, 242.229], ['B', ' CA ', 239.355, 296.254, 241.669], ['B', ' C ', 238.713, 295.923, 240.331], ['B', ' O ', 239.401, 295.644, 239.344], ['B', ' CB ', 240.48, 297.292, 241.525], ['B', ' CG ', 241.784, 296.559, 241.813], ['B', ' CD ', 241.489, 295.103, 241.929]]
[['B', ' N ', 237.381, 295.97, 240.29], ['B', ' CA ', 236.591, 295.652, 239.108], ['B', ' C ', 235.666, 296.84, 238.837], ['B', ' O ', 235.754, 297.873, 239.498], ['B', ' CB ', 235.808, 294.327, 239.275], ['B', ' CG1', 236.747, 293.212, 239.721], ['B', ' CG2', 235.24, 293.819, 237.953], ['B', ' CD1', 237.773, 292.838, 238.667]]
[['B', ' N ', 234.792, 296.695, 237.838], ['B', ' CA ', 233.872, 297.743, 237.413], ['B', ' C ', 233.072, 298.3, 238.584], ['B', ' O ', 232.947, 297.654, 239.63], ['B', ' CB ', 232.926, 297.215, 236.331], ['B', ' CG ', 232.296, 298.327, 235.512], ['B', ' ND2', 231.468, 297.951, 234.544], ['B', ' OD1', 232.549, 299.508, 235.747]]
[['B', ' N ', 232.517, 299.496, 238.411], ['B', ' CA ', 232.059, 300.285, 239.544], ['B', ' C ', 230.563, 300.555, 239.482], ['B', ' O ', 230.136, 301.693, 239.702], ['B', ' CB ', 232.813, 301.617, 239.587], ['B', ' CG ', 234.272, 301.65, 240.046], ['B', ' CD1', 235.192, 301.049, 238.993], ['B', ' CD2', 234.685, 303.078, 240.358]]
[['B', ' N ', 229.748, 299.544, 239.183], ['B', ' CA ', 228.337, 299.845, 238.983], ['B', ' C ', 227.64, 299.993, 240.329], ['B', ' O ', 227.352, 301.115, 240.758], ['B', ' CB ', 227.66, 298.757, 238.132], ['B', ' CG1', 226.203, 299.109, 237.882], ['B', ' CG2', 228.407, 298.572, 236.821]]
[['B', ' N ', 227.369, 298.88, 241.015], ['B', ' CA ', 226.998, 298.967, 242.423], ['B', ' C ', 227.559, 297.828, 243.269], ['B', ' O ', 228.028, 298.048, 244.389], ['B', ' CB ', 225.475, 299.03, 242.563], ['B', ' CG ', 224.992, 299.274, 243.987], ['B', ' CD ', 225.398, 300.646, 244.502], ['B', ' NE ', 225.02, 301.723, 243.592], ['B', ' CZ ', 225.888, 302.476, 242.925], ['B', ' NH1', 227.191, 302.27, 243.061], ['B', ' NH2', 225.456, 303.435, 242.118]]
[['B', ' N ', 227.533, 296.612, 242.729], ['B', ' CA ', 227.585, 295.385, 243.512], ['B', ' C ', 228.695, 294.462, 243.028], ['B', ' O ', 229.578, 294.856, 242.259], ['B', ' CB ', 226.236, 294.663, 243.461], ['B', ' CG ', 225.074, 295.566, 243.79], ['B', ' OD1', 225.141, 296.271, 244.815], ['B', ' OD2', 224.091, 295.572, 243.023]]
[['B', ' N ', 228.65, 293.223, 243.508], ['B', ' CA ', 229.55, 292.152, 243.112], ['B', ' C ', 229.499, 291.987, 241.601], ['B', ' O ', 228.515, 291.466, 241.067], ['B', ' CB ', 229.146, 290.852, 243.803], ['B', ' CG ', 228.908, 290.935, 245.315], ['B', ' CD1', 228.222, 289.68, 245.839], ['B', ' CD2', 230.218, 291.18, 246.052]]
[['B', ' N ', 230.531, 292.408, 240.882], ['B', ' CA ', 230.46, 292.389, 239.421], ['B', ' C ', 230.524, 290.972, 238.884], ['B', ' O ', 231.063, 290.063, 239.52], ['B', ' CB ', 231.682, 293.209, 238.986], ['B', ' CG ', 232.455, 293.521, 240.245], ['B', ' CD ', 231.878, 292.729, 241.367]]
[['B', ' N ', 229.959, 290.791, 237.692], ['B', ' CA ', 229.868, 289.47, 237.074], ['B', ' C ', 231.185, 289.152, 236.364], ['B', ' O ', 231.284, 289.089, 235.137], ['B', ' CB ', 228.675, 289.408, 236.129], ['B', ' CG ', 228.237, 287.998, 235.773], ['B', ' CD ', 226.988, 287.972, 234.911], ['B', ' NE2', 226.601, 286.782, 234.466], ['B', ' OE1', 226.38, 289.01, 234.647]]
[['B', ' N ', 232.216, 288.962, 237.183], ['B', ' CA ', 233.529, 288.546, 236.747], ['B', ' C ', 233.953, 287.283, 237.476], ['B', ' O ', 233.126, 286.532, 238.0]]
[['B', ' N ', 235.264, 287.052, 237.503], ['B', ' CA ', 235.808, 285.902, 238.206], ['B', ' C ', 237.106, 286.275, 238.904], ['B', ' O ', 237.869, 287.117, 238.426], ['B', ' CB ', 236.056, 284.72, 237.27], ['B', ' CG ', 236.182, 283.418, 237.987], ['B', ' CD1', 235.068, 282.792, 238.513], ['B', ' CD2', 237.42, 282.841, 238.178], ['B', ' CE1', 235.185, 281.6, 239.191], ['B', ' CE2', 237.542, 281.648, 238.855], ['B', ' CZ ', 236.423, 281.029, 239.36]]
[['B', ' N ', 237.346, 285.626, 240.042], ['B', ' CA ', 238.562, 285.796, 240.823], ['B', ' C ', 238.577, 284.749, 241.923], ['B', ' O ', 237.534, 284.441, 242.503], ['B', ' CB ', 238.647, 287.197, 241.433], ['B', ' OG ', 237.982, 287.237, 242.682]]
[['B', ' N ', 239.759, 284.218, 242.21], ['B', ' CA ', 239.934, 283.164, 243.196], ['B', ' C ', 240.298, 283.749, 244.553], ['B', ' O ', 240.72, 284.898, 244.667], ['B', ' CB ', 241.014, 282.183, 242.743]]
[['B', ' N ', 240.13, 282.941, 245.59], ['B', ' CA ', 240.394, 283.367, 246.955], ['B', ' C ', 241.417, 282.45, 247.609], ['B', ' O ', 241.319, 281.224, 247.508], ['B', ' CB ', 239.107, 283.388, 247.775], ['B', ' CG ', 238.389, 284.732, 247.86], ['B', ' CD1', 237.947, 285.211, 246.501], ['B', ' CD2', 237.201, 284.609, 248.776]]
[['B', ' N ', 242.387, 283.055, 248.305], ['B', ' CA ', 243.536, 282.414, 248.914], ['B', ' C ', 243.441, 282.442, 250.433], ['B', ' O ', 242.92, 283.407, 251.0], ['B', ' CB ', 244.813, 283.129, 248.479], ['B', ' CG ', 244.807, 283.51, 247.017], ['B', ' CD ', 245.796, 284.607, 246.696], ['B', ' OE1', 246.369, 285.183, 247.642], ['B', ' OE2', 246.001, 284.895, 245.499]]
[['B', ' N ', 243.928, 281.412, 251.117], ['B', ' CA ', 243.878, 281.406, 252.583], ['B', ' C ', 244.801, 282.44, 253.206], ['B', ' O ', 245.804, 282.848, 252.62], ['B', ' CB ', 244.319, 279.984, 252.951], ['B', ' CG ', 244.958, 279.436, 251.731], ['B', ' CD ', 244.322, 280.107, 250.569]]
[['B', ' N ', 244.429, 282.887, 254.407], ['B', ' CA ', 245.284, 283.759, 255.207], ['B', ' C ', 245.662, 283.152, 256.551], ['B', ' O ', 246.853, 282.994, 256.84], ['B', ' CB ', 244.599, 285.11, 255.439], ['B', ' CG ', 243.796, 285.737, 254.311], ['B', ' CD1', 243.291, 287.083, 254.766], ['B', ' CD2', 244.669, 285.885, 253.084]]
[['B', ' N ', 244.682, 282.8, 257.381], ['B', ' CA ', 244.886, 282.611, 258.813], ['B', ' C ', 244.143, 281.356, 259.252], ['B', ' O ', 242.917, 281.379, 259.402], ['B', ' CB ', 244.402, 283.822, 259.625], ['B', ' CG1', 244.445, 283.522, 261.103], ['B', ' CG2', 245.228, 285.052, 259.304]]
[['B', ' N ', 244.874, 280.272, 259.476], ['B', ' CA ', 244.31, 279.05, 260.031], ['B', ' C ', 244.522, 279.066, 261.536], ['B', ' O ', 245.637, 279.313, 262.007], ['B', ' CB ', 244.957, 277.811, 259.409], ['B', ' CG ', 244.271, 276.52, 259.82], ['B', ' OD1', 243.985, 276.333, 261.021], ['B', ' OD2', 244.011, 275.685, 258.932]]
[['B', ' N ', 243.458, 278.799, 262.287], ['B', ' CA ', 243.531, 278.836, 263.733], ['B', ' C ', 243.125, 277.495, 264.328], ['B', ' O ', 242.054, 276.969, 263.994], ['B', ' CB ', 242.639, 279.941, 264.298], ['B', ' CG ', 243.099, 281.371, 264.031], ['B', ' CD1', 242.47, 282.288, 265.047], ['B', ' CD2', 244.608, 281.474, 264.09]]
[['B', ' N ', 243.939, 276.918, 265.201], ['B', ' CA ', 243.545, 275.684, 265.892], ['B', ' C ', 242.632, 275.943, 267.08], ['B', ' O ', 242.551, 275.109, 267.987], ['B', ' CB ', 244.888, 275.086, 266.339], ['B', ' CG ', 245.936, 275.812, 265.531], ['B', ' CD ', 245.379, 277.183, 265.34]]
[['B', ' N ', 241.967, 277.103, 267.098], ['B', ' CA ', 241.17, 277.508, 268.259], ['B', ' C ', 240.143, 276.437, 268.619], ['B', ' O ', 239.98, 276.079, 269.791], ['B', ' CB ', 240.499, 278.869, 267.999], ['B', ' CG1', 239.692, 278.847, 266.702], ['B', ' CG2', 241.534, 279.956, 267.92], ['B', ' CD1', 238.859, 280.084, 266.487]]
[['B', ' N ', 239.439, 275.912, 267.62], ['B', ' CA ', 238.519, 274.812, 267.83], ['B', ' C ', 237.427, 275.057, 268.847], ['B', ' O ', 237.409, 274.422, 269.905]]
[['B', ' N ', 236.507, 275.969, 268.547], ['B', ' CA ', 235.361, 276.218, 269.407], ['B', ' C ', 234.095, 275.807, 268.668], ['B', ' O ', 234.107, 275.527, 267.467], ['B', ' CB ', 235.281, 277.686, 269.865], ['B', ' CG1', 235.053, 278.606, 268.673], ['B', ' CG2', 236.552, 278.078, 270.589], ['B', ' CD1', 234.699, 280.012, 269.063]]
[['B', ' N ', 232.993, 275.758, 269.41], ['B', ' CA ', 231.707, 275.303, 268.886], ['B', ' C ', 230.893, 276.535, 268.509], ['B', ' O ', 230.243, 277.147, 269.36], ['B', ' CB ', 231.0, 274.434, 269.921], ['B', ' CG ', 229.655, 273.918, 269.447], ['B', ' ND2', 229.528, 272.6, 269.362], ['B', ' OD1', 228.74, 274.69, 269.167]]
[['B', ' N ', 230.92, 276.899, 267.229], ['B', ' CA ', 230.281, 278.12, 266.749], ['B', ' C ', 228.911, 277.787, 266.183], ['B', ' O ', 228.772, 276.866, 265.37], ['B', ' CB ', 231.143, 278.816, 265.685], ['B', ' CG1', 232.521, 279.156, 266.236], ['B', ' CG2', 230.459, 280.079, 265.199], ['B', ' CD1', 233.448, 279.741, 265.2]]
[['B', ' N ', 227.893, 278.524, 266.625], ['B', ' CA ', 226.576, 278.504, 265.997], ['B', ' C ', 225.972, 279.905, 265.997], ['B', ' O ', 224.796, 280.095, 266.323], ['B', ' CB ', 225.649, 277.499, 266.679], ['B', ' CG2', 224.486, 277.138, 265.766], ['B', ' OG1', 226.377, 276.298, 266.96]]
[['B', ' N ', 226.772, 280.905, 265.654], ['B', ' CA ', 226.287, 282.273, 265.478], ['B', ' C ', 227.366, 283.046, 264.725], ['B', ' O ', 228.389, 282.477, 264.325], ['B', ' CB ', 225.917, 282.916, 266.816], ['B', ' CG ', 224.896, 284.04, 266.69], ['B', ' CD ', 224.462, 284.59, 268.041], ['B', ' NE ', 223.599, 283.669, 268.774], ['B', ' CZ ', 222.272, 283.679, 268.71], ['B', ' NH1', 221.649, 284.561, 267.945], ['B', ' NH2', 221.567, 282.804, 269.409]]
[['B', ' N ', 227.142, 284.345, 264.535], ['B', ' CA ', 227.909, 285.184, 263.624], ['B', ' C ', 227.464, 286.62, 263.84], ['B', ' O ', 226.311, 286.864, 264.193], ['B', ' CB ', 227.676, 284.742, 262.172], ['B', ' CG ', 228.4, 285.56, 261.142], ['B', ' CD1', 229.759, 285.428, 260.953], ['B', ' CD2', 227.701, 286.422, 260.315], ['B', ' CE1', 230.408, 286.172, 259.985], ['B', ' CE2', 228.344, 287.162, 259.351], ['B', ' CZ ', 229.697, 287.038, 259.185]]
[['B', ' N ', 228.374, 287.564, 263.641], ['B', ' CA ', 228.045, 288.958, 263.923], ['B', ' C ', 229.096, 289.833, 263.246], ['B', ' O ', 230.005, 289.333, 262.577], ['B', ' CB ', 227.968, 289.174, 265.436], ['B', ' CG ', 227.229, 290.417, 265.898], ['B', ' CD ', 228.113, 291.632, 266.018], ['B', ' NE2', 227.531, 292.804, 265.801], ['B', ' OE1', 229.31, 291.524, 266.277]]
[['B', ' N ', 228.955, 291.148, 263.4], ['B', ' CA ', 229.935, 292.097, 262.893], ['B', ' C ', 230.11, 293.264, 263.863], ['B', ' O ', 229.143, 293.752, 264.451], ['B', ' CB ', 229.542, 292.596, 261.495], ['B', ' CG2', 228.134, 293.14, 261.485], ['B', ' OG1', 230.453, 293.613, 261.071]]
[['B', ' N ', 231.356, 293.708, 264.017], ['B', ' CA ', 231.748, 294.761, 264.956], ['B', ' C ', 232.233, 295.962, 264.145], ['B', ' O ', 233.417, 296.053, 263.808], ['B', ' CB ', 232.838, 294.247, 265.897], ['B', ' CG ', 233.138, 294.877, 267.26], ['B', ' CD1', 233.905, 293.882, 268.117], ['B', ' CD2', 233.92, 296.175, 267.13]]
[['B', ' N ', 231.337, 296.901, 263.855], ['B', ' CA ', 231.638, 297.995, 262.945], ['B', ' C ', 231.575, 299.325, 263.679], ['B', ' O ', 230.795, 299.498, 264.619], ['B', ' CB ', 230.663, 298.022, 261.772], ['B', ' CG ', 230.669, 296.818, 260.831], ['B', ' CD1', 230.175, 297.22, 259.447], ['B', ' CD2', 232.043, 296.188, 260.755]]
[['B', ' N ', 232.399, 300.269, 263.23], ['B', ' CA ', 232.414, 301.599, 263.82], ['B', ' C ', 231.117, 302.339, 263.504], ['B', ' O ', 230.369, 301.973, 262.594], ['B', ' CB ', 233.612, 302.4, 263.317]]
[['B', ' N ', 230.849, 303.389, 264.277], ['B', ' CA ', 229.608, 304.148, 264.143], ['B', ' C ', 229.878, 305.65, 264.224], ['B', ' O ', 229.182, 306.393, 264.917], ['B', ' CB ', 228.595, 303.721, 265.204], ['B', ' CG ', 227.122, 303.975, 264.888], ['B', ' CD1', 226.633, 302.996, 263.838], ['B', ' CD2', 226.273, 303.895, 266.142]]
[['B', ' N ', 230.904, 306.119, 263.518], ['B', ' CA ', 231.134, 307.56, 263.418], ['B', ' C ', 231.589, 307.937, 262.013], ['B', ' O ', 230.788, 308.384, 261.19], ['B', ' CB ', 232.162, 308.034, 264.455], ['B', ' CG ', 233.576, 308.06, 263.957], ['B', ' CD2', 234.342, 309.083, 263.51], ['B', ' ND1', 234.373, 306.936, 263.905], ['B', ' CE1', 235.564, 307.264, 263.435], ['B', ' NE2', 235.571, 308.562, 263.187]]
[['B', ' N ', 228.482, 300.558, 250.262], ['B', ' CA ', 228.127, 301.253, 251.494], ['B', ' C ', 227.567, 300.286, 252.535], ['B', ' O ', 227.038, 300.702, 253.566], ['B', ' CB ', 227.126, 302.352, 251.203]]
[['B', ' N ', 227.697, 298.994, 252.26], ['B', ' CA ', 227.118, 297.95, 253.094], ['B', ' C ', 227.876, 296.66, 252.824], ['B', ' O ', 228.976, 296.676, 252.262], ['B', ' CB ', 225.621, 297.808, 252.818]]
[['B', ' N ', 227.298, 295.534, 253.226], ['B', ' CA ', 227.958, 294.265, 252.963], ['B', ' C ', 227.0, 293.216, 252.423], ['B', ' O ', 225.79, 293.435, 252.378], ['B', ' CB ', 228.645, 293.76, 254.226], ['B', ' CG ', 227.798, 293.777, 255.475], ['B', ' CD1', 227.8, 294.872, 256.322], ['B', ' CD2', 227.028, 292.683, 255.825], ['B', ' CE1', 227.046, 294.881, 257.468], ['B', ' CE2', 226.269, 292.686, 256.971], ['B', ' CZ ', 226.282, 293.785, 257.786], ['B', ' OH ', 225.522, 293.784, 258.927]]
[['B', ' N ', 227.532, 292.072, 252.015], ['B', ' CA ', 226.737, 291.003, 251.424], ['B', ' C ', 226.999, 289.745, 252.227], ['B', ' O ', 228.137, 289.517, 252.641], ['B', ' CB ', 227.117, 290.781, 249.961], ['B', ' CG ', 227.12, 292.018, 249.09], ['B', ' CD1', 228.213, 292.867, 249.057], ['B', ' CD2', 226.018, 292.349, 248.322], ['B', ' CE1', 228.216, 293.992, 248.272], ['B', ' CE2', 226.024, 293.467, 247.521], ['B', ' CZ ', 227.12, 294.288, 247.514], ['B', ' OH ', 227.123, 295.411, 246.731]]
[['B', ' N ', 225.972, 288.934, 252.459], ['B', ' CA ', 226.127, 287.688, 253.203], ['B', ' C ', 225.471, 286.556, 252.43], ['B', ' O ', 224.263, 286.59, 252.169], ['B', ' CB ', 225.538, 287.789, 254.614], ['B', ' CG1', 225.62, 286.445, 255.292], ['B', ' CG2', 226.279, 288.832, 255.414]]
[['B', ' N ', 226.262, 285.548, 252.079], ['B', ' CA ', 225.761, 284.313, 251.527], ['B', ' C ', 225.759, 283.21, 252.56], ['B', ' O ', 225.76, 283.456, 253.77]]
[['B', ' N ', 225.767, 281.972, 252.077], ['B', ' CA ', 225.832, 280.81, 252.96], ['B', ' C ', 226.496, 279.677, 252.194], ['B', ' O ', 225.93, 279.179, 251.219], ['B', ' CB ', 224.445, 280.405, 253.442], ['B', ' CG ', 223.948, 281.217, 254.609], ['B', ' CD1', 224.322, 280.904, 255.904], ['B', ' CD2', 223.103, 282.298, 254.415], ['B', ' CE1', 223.872, 281.645, 256.969], ['B', ' CE2', 222.654, 283.045, 255.471], ['B', ' CZ ', 223.04, 282.715, 256.746], ['B', ' OH ', 222.587, 283.463, 257.802]]
[['B', ' N ', 227.686, 279.274, 252.632], ['B', ' CA ', 228.407, 278.205, 251.955], ['B', ' C ', 227.606, 276.914, 252.023], ['B', ' O ', 226.997, 276.598, 253.047], ['B', ' CB ', 229.784, 278.005, 252.59], ['B', ' CG ', 230.738, 279.196, 252.752], ['B', ' CD1', 232.167, 278.715, 252.88], ['B', ' CD2', 230.624, 280.17, 251.6]]
[['B', ' N ', 227.609, 276.161, 250.927], ['B', ' CA ', 226.752, 274.994, 250.804], ['B', ' C ', 227.547, 273.819, 250.255], ['B', ' O ', 228.437, 274.013, 249.414], ['B', ' CB ', 225.562, 275.295, 249.882], ['B', ' CG ', 224.36, 274.402, 250.075], ['B', ' CD ', 223.073, 275.091, 249.698], ['B', ' NE2', 222.356, 274.523, 248.74], ['B', ' OE1', 222.727, 276.126, 250.26]]
[['B', ' N ', 227.256, 272.597, 250.704], ['B', ' CA ', 227.994, 271.436, 250.194], ['B', ' C ', 227.66, 271.122, 248.746], ['B', ' O ', 226.558, 270.659, 248.439], ['B', ' CB ', 227.556, 270.303, 251.13], ['B', ' CG ', 226.258, 270.755, 251.686], ['B', ' CD ', 226.369, 272.234, 251.819]]
[['B', ' N ', 228.61, 271.365, 247.848], ['B', ' CA ', 228.42, 271.118, 246.43], ['B', ' C ', 229.701, 270.539, 245.858], ['B', ' O ', 230.747, 270.532, 246.507], ['B', ' CB ', 228.036, 272.398, 245.684], ['B', ' CG ', 226.632, 272.893, 245.979], ['B', ' CD ', 225.604, 272.187, 245.121], ['B', ' NE ', 224.4, 272.991, 244.945], ['B', ' CZ ', 224.32, 274.055, 244.153], ['B', ' NH1', 225.374, 274.45, 243.454], ['B', ' NH2', 223.181, 274.723, 244.055]]
[['B', ' N ', 229.608, 270.046, 244.628], ['B', ' CA ', 230.748, 269.508, 243.899], ['B', ' C ', 230.996, 270.37, 242.67], ['B', ' O ', 230.068, 270.654, 241.909], ['B', ' CB ', 230.516, 268.041, 243.52], ['B', ' CG2', 229.237, 267.863, 242.731], ['B', ' OG1', 231.63, 267.553, 242.768]]
[['B', ' N ', 232.235, 270.809, 242.496], ['B', ' CA ', 232.574, 271.779, 241.47], ['B', ' C ', 233.492, 271.152, 240.434], ['B', ' O ', 233.794, 269.959, 240.471], ['B', ' CB ', 233.246, 273.011, 242.081], ['B', ' CG ', 232.287, 274.09, 242.475], ['B', ' CD1', 231.188, 273.803, 243.26], ['B', ' CD2', 232.492, 275.394, 242.081], ['B', ' CE1', 230.305, 274.791, 243.627], ['B', ' CE2', 231.611, 276.384, 242.452], ['B', ' CZ ', 230.519, 276.08, 243.228]]
[['B', ' N ', 233.92, 271.977, 239.487], ['B', ' CA ', 234.94, 271.615, 238.51], ['B', ' C ', 235.852, 272.818, 238.343], ['B', ' O ', 235.451, 273.823, 237.75], ['B', ' CB ', 234.321, 271.217, 237.176], ['B', ' CG ', 235.357, 270.798, 236.138], ['B', ' CD1', 236.063, 269.539, 236.583], ['B', ' CD2', 234.737, 270.619, 234.779]]
[['B', ' N ', 237.069, 272.724, 238.856], ['B', ' CA ', 237.986, 273.848, 238.843], ['B', ' C ', 238.983, 273.707, 237.703], ['B', ' O ', 239.362, 272.6, 237.319], ['B', ' CB ', 238.734, 273.976, 240.168], ['B', ' CG ', 237.996, 274.714, 241.279], ['B', ' CD1', 237.738, 276.139, 240.852], ['B', ' CD2', 236.707, 274.032, 241.663]]
[['B', ' N ', 239.394, 274.845, 237.162], ['B', ' CA ', 240.38, 274.912, 236.099], ['B', ' C ', 241.627, 275.607, 236.616], ['B', ' O ', 241.536, 276.561, 237.39], ['B', ' CB ', 239.835, 275.67, 234.892], ['B', ' CG ', 240.803, 275.77, 233.727], ['B', ' CD ', 240.167, 276.432, 232.526], ['B', ' CE ', 241.121, 276.464, 231.355], ['B', ' NZ ', 240.484, 277.087, 230.169]]
[['B', ' N ', 242.789, 275.13, 236.185], ['B', ' CA ', 244.066, 275.726, 236.541], ['B', ' C ', 244.802, 276.152, 235.28], ['B', ' O ', 244.858, 275.404, 234.302], ['B', ' CB ', 244.926, 274.746, 237.336], ['B', ' CG ', 244.454, 274.494, 238.744], ['B', ' CD1', 243.44, 273.595, 239.004], ['B', ' CD2', 245.037, 275.142, 239.814], ['B', ' CE1', 243.012, 273.36, 240.283], ['B', ' CE2', 244.617, 274.912, 241.097], ['B', ' CZ ', 243.602, 274.023, 241.325], ['B', ' OH ', 243.182, 273.793, 242.609]]
[['B', ' N ', 245.362, 277.356, 235.304], ['B', ' CA ', 246.174, 277.847, 234.2], ['B', ' C ', 247.584, 277.273, 234.327], ['B', ' O ', 247.827, 276.328, 235.079], ['B', ' CB ', 246.165, 279.37, 234.171], ['B', ' CG ', 246.987, 279.978, 235.28], ['B', ' ND2', 247.626, 281.099, 234.991], ['B', ' OD1', 247.047, 279.451, 236.386]]
[['B', ' N ', 248.538, 277.828, 233.579], ['B', ' CA ', 249.884, 277.262, 233.582], ['B', ' C ', 250.566, 277.44, 234.933], ['B', ' O ', 251.332, 276.571, 235.363], ['B', ' CB ', 250.729, 277.884, 232.469], ['B', ' CG ', 251.037, 279.361, 232.652], ['B', ' CD ', 251.854, 279.931, 231.513], ['B', ' OE1', 252.21, 279.162, 230.595], ['B', ' OE2', 252.137, 281.148, 231.534]]
[['B', ' N ', 250.307, 278.551, 235.618], ['B', ' CA ', 251.0, 278.86, 236.86], ['B', ' C ', 250.294, 278.317, 238.09], ['B', ' O ', 250.705, 278.629, 239.209], ['B', ' CB ', 251.179, 280.367, 237.019], ['B', ' CG ', 252.043, 280.972, 235.942], ['B', ' ND2', 251.87, 282.265, 235.726], ['B', ' OD1', 252.858, 280.297, 235.317]]
[['B', ' N ', 249.239, 277.531, 237.921], ['B', ' CA ', 248.559, 276.985, 239.073], ['B', ' C ', 247.567, 277.906, 239.736], ['B', ' O ', 247.305, 277.753, 240.931]]
[['B', ' N ', 247.007, 278.861, 239.002], ['B', ' CA ', 246.001, 279.773, 239.524], ['B', ' C ', 244.655, 279.46, 238.892], ['B', ' O ', 244.544, 279.397, 237.665], ['B', ' CB ', 246.381, 281.225, 239.25], ['B', ' CG2', 245.187, 282.132, 239.448], ['B', ' OG1', 247.431, 281.618, 240.141]]
[['B', ' N ', 243.642, 279.259, 239.734], ['B', ' CA ', 242.292, 279.025, 239.243], ['B', ' C ', 241.86, 280.187, 238.362], ['B', ' O ', 242.074, 281.358, 238.697], ['B', ' CB ', 241.338, 278.834, 240.432], ['B', ' CG1', 241.417, 277.408, 240.953], ['B', ' CG2', 239.922, 279.162, 240.047], ['B', ' CD1', 240.775, 277.238, 242.296]]
[['B', ' N ', 241.261, 279.869, 237.212], ['B', ' CA ', 240.79, 280.888, 236.286], ['B', ' C ', 239.307, 280.813, 235.966], ['B', ' O ', 238.725, 281.844, 235.614], ['B', ' CB ', 241.57, 280.824, 234.966], ['B', ' CG2', 243.039, 281.067, 235.208], ['B', ' OG1', 241.391, 279.537, 234.368]]
[['B', ' N ', 238.683, 279.642, 236.052], ['B', ' CA ', 237.242, 279.55, 235.879], ['B', ' C ', 236.761, 278.265, 236.527], ['B', ' O ', 237.522, 277.312, 236.689], ['B', ' CB ', 236.842, 279.597, 234.405], ['B', ' CG ', 235.401, 280.005, 234.213], ['B', ' OD1', 234.701, 280.182, 235.229], ['B', ' OD2', 234.968, 280.16, 233.053]]
[['B', ' N ', 235.482, 278.251, 236.892], ['B', ' CA ', 234.911, 277.137, 237.631], ['B', ' C ', 233.532, 276.811, 237.09], ['B', ' O ', 232.826, 277.682, 236.581], ['B', ' CB ', 234.812, 277.44, 239.125]]
[['B', ' N ', 233.149, 275.548, 237.22], ['B', ' CA ', 231.876, 275.051, 236.722], ['B', ' C ', 231.156, 274.347, 237.859], ['B', ' O ', 231.725, 273.462, 238.505], ['B', ' CB ', 232.071, 274.1, 235.53], ['B', ' CG1', 230.828, 273.285, 235.3], ['B', ' CG2', 232.419, 274.885, 234.292]]
[['B', ' N ', 229.911, 274.737, 238.099], ['B', ' CA ', 229.067, 274.077, 239.081], ['B', ' C ', 228.535, 272.797, 238.46], ['B', ' O ', 228.075, 272.81, 237.318], ['B', ' CB ', 227.919, 274.995, 239.494], ['B', ' CG ', 227.117, 274.451, 240.661], ['B', ' OD1', 226.928, 273.22, 240.758], ['B', ' OD2', 226.661, 275.266, 241.489]]
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[['B', ' N ', 217.647, 259.09, 237.831], ['B', ' CA ', 216.419, 259.721, 238.284], ['B', ' C ', 215.501, 258.662, 238.866], ['B', ' O ', 215.484, 257.524, 238.393], ['B', ' CB ', 215.735, 260.459, 237.132], ['B', ' CG ', 214.467, 261.162, 237.517], ['B', ' CD1', 214.495, 262.343, 238.23], ['B', ' CD2', 213.243, 260.667, 237.104], ['B', ' CE1', 213.316, 262.99, 238.564], ['B', ' CE2', 212.073, 261.304, 237.426], ['B', ' CZ ', 212.103, 262.468, 238.156]]
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[['B', ' N ', 211.525, 258.767, 241.264], ['B', ' CA ', 210.576, 259.506, 242.08], ['B', ' C ', 210.784, 259.162, 243.546], ['B', ' O ', 210.915, 257.988, 243.917], ['B', ' CB ', 209.139, 259.197, 241.636], ['B', ' CG1', 208.145, 259.762, 242.625], ['B', ' CG2', 208.892, 259.76, 240.261]]
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[['B', ' N ', 206.402, 259.664, 249.171], ['B', ' CA ', 205.65, 260.783, 249.721], ['B', ' C ', 205.14, 260.534, 251.132], ['B', ' O ', 205.279, 261.41, 251.993], ['B', ' CB ', 204.476, 261.124, 248.797], ['B', ' CG2', 203.964, 262.521, 249.093], ['B', ' OG1', 204.915, 261.063, 247.436]]
[['B', ' N ', 204.542, 259.374, 251.399], ['B', ' CA ', 203.905, 259.109, 252.68], ['B', ' C ', 204.315, 257.739, 253.2], ['B', ' O ', 204.725, 256.86, 252.44], ['B', ' CB ', 202.377, 259.191, 252.575], ['B', ' CG ', 201.845, 260.58, 252.259], ['B', ' CD ', 201.458, 260.742, 250.806], ['B', ' OE1', 201.565, 259.76, 250.047], ['B', ' OE2', 201.039, 261.851, 250.422]]
[['B', ' N ', 204.183, 257.565, 254.516], ['B', ' CA ', 204.659, 256.383, 255.227], ['B', ' C ', 203.479, 255.536, 255.682], ['B', ' O ', 202.642, 256.001, 256.461], ['B', ' CB ', 205.51, 256.784, 256.429], ['B', ' OG ', 205.775, 255.663, 257.248]]
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[['B', ' N ', 202.184, 252.308, 257.679], ['B', ' CA ', 202.514, 251.368, 258.747], ['B', ' C ', 201.254, 250.584, 259.082], ['B', ' O ', 200.238, 251.175, 259.469], ['B', ' CB ', 203.058, 252.088, 259.991], ['B', ' CG1', 202.988, 251.185, 261.199], ['B', ' CG2', 204.484, 252.551, 259.758]]
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[['B', ' N ', 199.92, 247.178, 261.29], ['B', ' CA ', 200.061, 246.106, 262.263], ['B', ' C ', 198.695, 245.502, 262.524], ['B', ' O ', 197.669, 246.131, 262.244], ['B', ' CB ', 200.648, 246.587, 263.599], ['B', ' CG ', 202.082, 246.995, 263.537], ['B', ' CD1', 202.873, 246.649, 262.462], ['B', ' CD2', 202.639, 247.728, 264.566], ['B', ' CE1', 204.193, 247.019, 262.416], ['B', ' CE2', 203.958, 248.108, 264.523], ['B', ' CZ ', 204.738, 247.754, 263.448]]
[['B', ' N ', 198.645, 244.281, 263.053], ['B', ' CA ', 197.367, 243.753, 263.535], ['B', ' C ', 196.808, 244.653, 264.624], ['B', ' O ', 197.548, 245.184, 265.455], ['B', ' CB ', 197.736, 242.367, 264.076], ['B', ' CG ', 199.2, 242.448, 264.356], ['B', ' CD ', 199.747, 243.332, 263.281]]
[['B', ' N ', 195.491, 244.829, 264.614], ['B', ' CA ', 194.847, 245.713, 265.574], ['B', ' C ', 194.514, 245.017, 266.886], ['B', ' O ', 193.918, 245.641, 267.769], ['B', ' CB ', 193.586, 246.336, 264.964], ['B', ' CG ', 192.61, 245.305, 264.446], ['B', ' ND2', 191.438, 245.773, 264.032], ['B', ' OD1', 192.899, 244.109, 264.414]]
[['B', ' N ', 194.887, 243.748, 267.034], ['B', ' CA ', 194.735, 243.068, 268.313], ['B', ' C ', 195.713, 243.659, 269.318], ['B', ' O ', 196.877, 243.932, 268.995], ['B', ' CB ', 194.944, 241.555, 268.147], ['B', ' CG1', 194.772, 240.842, 269.49], ['B', ' CG2', 196.306, 241.259, 267.534], ['B', ' CD1', 193.389, 240.979, 270.081]]
[['B', ' N ', 195.237, 243.883, 270.54], ['B', ' CA ', 196.07, 244.359, 271.635], ['B', ' C ', 195.941, 243.408, 272.818], ['B', ' O ', 194.832, 242.998, 273.178], ['B', ' CB ', 195.701, 245.794, 272.038], ['B', ' CG2', 194.247, 245.896, 272.489], ['B', ' OG1', 196.57, 246.239, 273.088]]
[['B', ' N ', 197.082, 243.037, 273.395], ['B', ' CA ', 197.14, 242.146, 274.545], ['B', ' C ', 198.557, 242.159, 275.091], ['B', ' O ', 199.52, 242.089, 274.325], ['B', ' CB ', 196.731, 240.716, 274.175], ['B', ' CG ', 196.35, 239.894, 275.385], ['B', ' ND2', 196.547, 238.586, 275.297], ['B', ' OD1', 195.879, 240.429, 276.387]]
[['B', ' N ', 198.675, 242.241, 276.411], ['B', ' CA ', 199.98, 242.329, 277.047], ['B', ' C ', 200.654, 240.961, 277.061], ['B', ' O ', 200.049, 239.962, 277.463], ['B', ' CB ', 199.836, 242.879, 278.467], ['B', ' CG ', 201.101, 243.264, 279.234], ['B', ' CD1', 200.863, 244.532, 280.031], ['B', ' CD2', 201.518, 242.14, 280.161]]
[['B', ' N ', 201.903, 240.92, 276.616], ['B', ' CA ', 202.666, 239.679, 276.647], ['B', ' C ', 203.05, 239.343, 278.084], ['B', ' O ', 203.603, 240.195, 278.787], ['B', ' CB ', 203.921, 239.801, 275.788], ['B', ' SG ', 203.625, 239.73, 274.017]]
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[['B', ' N ', 205.318, 238.846, 280.193], ['B', ' CA ', 206.744, 238.895, 280.474], ['B', ' C ', 207.04, 239.064, 281.956], ['B', ' O ', 208.102, 238.626, 282.419], ['B', ' CB ', 207.395, 240.03, 279.681], ['B', ' CG ', 208.019, 239.581, 278.391], ['B', ' CD1', 207.24, 239.372, 277.266], ['B', ' CD2', 209.382, 239.363, 278.303], ['B', ' CE1', 207.81, 238.958, 276.08], ['B', ' CE2', 209.956, 238.947, 277.119], ['B', ' CZ ', 209.169, 238.745, 276.007]]
[['B', ' N ', 206.127, 239.68, 282.708], ['B', ' CA ', 206.287, 239.73, 284.15], ['B', ' C ', 206.257, 238.351, 284.78], ['B', ' O ', 206.997, 238.073, 285.726]]
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[['B', ' N ', 209.889, 237.201, 284.263], ['B', ' CA ', 210.954, 237.875, 284.998], ['B', ' C ', 210.681, 237.96, 286.497], ['B', ' O ', 211.628, 237.992, 287.291], ['B', ' CB ', 211.189, 239.267, 284.409], ['B', ' CG ', 211.847, 239.243, 283.059], ['B', ' CD1', 213.223, 239.192, 282.948], ['B', ' CD2', 211.09, 239.247, 281.902], ['B', ' CE1', 213.83, 239.166, 281.711], ['B', ' CE2', 211.694, 239.217, 280.663], ['B', ' CZ ', 213.065, 239.176, 280.567]]
[['B', ' N ', 209.414, 237.995, 286.909], ['B', ' CA ', 209.054, 238.052, 288.32], ['B', ' C ', 208.6, 236.7, 288.861], ['B', ' O ', 207.729, 236.643, 289.734], ['B', ' CB ', 207.968, 239.102, 288.553], ['B', ' CG ', 208.489, 240.52, 288.437], ['B', ' ND2', 207.639, 241.426, 287.963], ['B', ' OD1', 209.64, 240.799, 288.771]]
[['B', ' N ', 209.167, 235.608, 288.357], ['B', ' CA ', 208.822, 234.286, 288.858], ['B', ' C ', 209.549, 234.002, 290.167], ['B', ' O ', 210.649, 234.504, 290.414], ['B', ' CB ', 209.16, 233.21, 287.827]]
[['B', ' N ', 208.916, 233.185, 291.012], ['B', ' CA ', 209.476, 232.917, 292.333], ['B', ' C ', 210.755, 232.087, 292.25], ['B', ' O ', 211.719, 232.356, 292.976], ['B', ' CB ', 208.43, 232.235, 293.219], ['B', ' CG2', 207.935, 230.933, 292.601], ['B', ' OG1', 208.985, 231.981, 294.517]]
[['B', ' N ', 210.794, 231.084, 291.374], ['B', ' CA ', 211.958, 230.218, 291.274], ['B', ' C ', 212.045, 229.648, 289.868], ['B', ' O ', 211.051, 229.595, 289.14], ['B', ' CB ', 211.908, 229.071, 292.289], ['B', ' CG ', 210.979, 227.939, 291.887], ['B', ' CD ', 211.084, 226.77, 292.843], ['B', ' NE ', 210.742, 227.16, 294.205], ['B', ' CZ ', 209.5, 227.223, 294.67], ['B', ' NH1', 208.481, 226.922, 293.879], ['B', ' NH2', 209.277, 227.588, 295.924]]
[['B', ' N ', 213.246, 229.216, 289.499], ['B', ' CA ', 213.52, 228.603, 288.211], ['B', ' C ', 213.999, 227.169, 288.423], ['B', ' O ', 214.067, 226.671, 289.553], ['B', ' CB ', 214.564, 229.416, 287.444], ['B', ' CG ', 214.132, 230.812, 287.102], ['B', ' CD1', 212.801, 231.177, 287.134], ['B', ' CD2', 215.069, 231.765, 286.753], ['B', ' CE1', 212.413, 232.463, 286.822], ['B', ' CE2', 214.686, 233.053, 286.438], ['B', ' CZ ', 213.356, 233.402, 286.474]]
[['B', ' N ', 214.329, 226.501, 287.324], ['B', ' CA ', 215.114, 225.279, 287.371], ['B', ' C ', 216.595, 225.642, 287.372], ['B', ' O ', 216.971, 226.796, 287.161], ['B', ' CB ', 214.773, 224.373, 286.193]]
[['B', ' N ', 217.45, 224.656, 287.634], ['B', ' CA ', 218.837, 225.034, 287.866], ['B', ' C ', 219.624, 225.197, 286.57], ['B', ' O ', 219.864, 226.324, 286.127], ['B', ' CB ', 219.498, 223.98, 288.75], ['B', ' OG ', 218.719, 223.774, 289.912]]
[['B', ' N ', 220.017, 224.091, 285.941], ['B', ' CA ', 220.457, 224.111, 284.551], ['B', ' C ', 219.984, 222.832, 283.878], ['B', ' O ', 219.921, 222.743, 282.647], ['B', ' CB ', 221.984, 224.268, 284.445], ['B', ' CG1', 222.68, 223.01, 284.924], ['B', ' CG2', 222.392, 224.615, 283.021]]
[['B', ' N ', 219.637, 221.838, 284.692], ['B', ' CA ', 219.406, 220.492, 284.191], ['B', ' C ', 217.953, 220.243, 283.83], ['B', ' O ', 217.672, 219.383, 282.988], ['B', ' CB ', 219.88, 219.465, 285.222], ['B', ' CG ', 218.84, 219.078, 286.241], ['B', ' CD1', 218.465, 219.96, 287.245], ['B', ' CD2', 218.249, 217.823, 286.217], ['B', ' CE1', 217.517, 219.609, 288.186], ['B', ' CE2', 217.301, 217.462, 287.155], ['B', ' CZ ', 216.939, 218.358, 288.137], ['B', ' OH ', 215.996, 218.005, 289.075]]
[['B', ' N ', 217.024, 220.97, 284.445], ['B', ' CA ', 215.629, 220.904, 284.031], ['B', ' C ', 215.302, 221.997, 283.021], ['B', ' O ', 214.673, 221.725, 281.995], ['B', ' CB ', 214.711, 220.999, 285.252]]
[['B', ' N ', 215.718, 223.228, 283.309], ['B', ' CA ', 215.628, 224.371, 282.397], ['B', ' C ', 214.265, 224.425, 281.695], ['B', ' O ', 214.137, 224.301, 280.478], ['B', ' CB ', 216.813, 224.375, 281.418], ['B', ' CG ', 216.712, 223.512, 280.185], ['B', ' CD1', 216.838, 222.157, 280.111], ['B', ' CD2', 216.507, 223.969, 278.843], ['B', ' CE2', 216.494, 222.834, 278.013], ['B', ' CE3', 216.316, 225.227, 278.267], ['B', ' NE1', 216.699, 221.74, 278.811], ['B', ' CZ2', 216.305, 222.92, 276.64], ['B', ' CZ3', 216.131, 225.31, 276.908], ['B', ' CH2', 216.126, 224.165, 276.107]]
[['B', ' N ', 213.228, 224.608, 282.511], ['B', ' CA ', 211.87, 224.665, 281.993], ['B', ' C ', 211.76, 225.724, 280.905], ['B', ' O ', 212.257, 226.845, 281.045], ['B', ' CB ', 210.88, 224.968, 283.119], ['B', ' CG ', 209.483, 225.253, 282.604], ['B', ' ND2', 209.156, 226.531, 282.455], ['B', ' OD1', 208.707, 224.335, 282.342]]
[['B', ' N ', 211.111, 225.354, 279.807], ['B', ' CA ', 210.994, 226.207, 278.635], ['B', ' C ', 209.578, 226.756, 278.564], ['B', ' O ', 208.608, 225.996, 278.643], ['B', ' CB ', 211.347, 225.433, 277.361], ['B', ' CG ', 210.626, 225.895, 276.109], ['B', ' CD ', 211.158, 227.229, 275.607], ['B', ' NE ', 212.53, 227.144, 275.116], ['B', ' CZ ', 212.885, 226.564, 273.977], ['B', ' NH1', 211.972, 225.996, 273.204], ['B', ' NH2', 214.157, 226.546, 273.611]]
[['B', ' N ', 209.467, 228.071, 278.416], ['B', ' CA ', 208.189, 228.763, 278.408], ['B', ' C ', 207.85, 229.185, 276.986], ['B', ' O ', 208.744, 229.45, 276.177], ['B', ' CB ', 208.232, 229.981, 279.335], ['B', ' CG ', 207.003, 230.864, 279.291], ['B', ' CD ', 205.795, 230.145, 279.859], ['B', ' CE ', 204.578, 231.053, 279.879], ['B', ' NZ ', 203.636, 230.684, 280.97]]
[['B', ' N ', 206.557, 229.229, 276.681], ['B', ' CA ', 206.062, 229.6, 275.365], ['B', ' C ', 205.247, 230.884, 275.456], ['B', ' O ', 204.462, 231.063, 276.393], ['B', ' CB ', 205.202, 228.48, 274.783], ['B', ' CG ', 205.032, 228.551, 273.287], ['B', ' CD ', 206.374, 228.481, 272.599], ['B', ' NE ', 206.284, 227.875, 271.274], ['B', ' CZ ', 205.776, 228.48, 270.207], ['B', ' NH1', 205.304, 229.716, 270.298], ['B', ' NH2', 205.745, 227.848, 269.043]]
[['B', ' N ', 205.44, 231.779, 274.487], ['B', ' CA ', 204.618, 232.976, 274.358], ['B', ' C ', 204.155, 233.091, 272.916], ['B', ' O ', 204.843, 232.656, 271.988], ['B', ' CB ', 205.358, 234.264, 274.769], ['B', ' CG1', 206.559, 234.502, 273.859], ['B', ' CG2', 205.786, 234.194, 276.223], ['B', ' CD1', 207.183, 235.852, 274.051]]
[['B', ' N ', 202.981, 233.69, 272.731], ['B', ' CA ', 202.448, 233.92, 271.395], ['B', ' C ', 201.28, 234.89, 271.482], ['B', ' O ', 200.668, 235.06, 272.54], ['B', ' CB ', 202.005, 232.614, 270.724], ['B', ' OG ', 203.112, 231.772, 270.449]]
[['B', ' N ', 200.997, 235.534, 270.348], ['B', ' CA ', 199.778, 236.313, 270.132], ['B', ' C ', 199.62, 237.433, 271.163], ['B', ' O ', 198.671, 237.466, 271.949], ['B', ' CB ', 198.553, 235.395, 270.121], ['B', ' CG ', 198.601, 234.385, 268.997], ['B', ' ND2', 197.91, 234.682, 267.903], ['B', ' OD1', 199.258, 233.353, 269.106]]
[['B', ' N ', 200.57, 238.363, 271.135], ['B', ' CA ', 200.503, 239.564, 271.958], ['B', ' C ', 201.567, 240.539, 271.481], ['B', ' O ', 202.569, 240.143, 270.881], ['B', ' CB ', 200.696, 239.249, 273.446], ['B', ' SG ', 202.189, 238.311, 273.818]]
[['B', ' N ', 201.341, 241.812, 271.761], ['B', ' CA ', 202.331, 242.848, 271.504], ['B', ' C ', 203.231, 242.968, 272.722], ['B', ' O ', 202.766, 242.907, 273.866], ['B', ' CB ', 201.654, 244.189, 271.167], ['B', ' CG1', 200.952, 244.1, 269.828], ['B', ' CG2', 200.665, 244.569, 272.251]]
[['B', ' N ', 204.529, 243.123, 272.482], ['B', ' CA ', 205.525, 243.155, 273.541], ['B', ' C ', 206.262, 244.483, 273.504], ['B', ' O ', 206.659, 244.945, 272.431], ['B', ' CB ', 206.516, 241.999, 273.4]]
[['B', ' N ', 206.449, 245.085, 274.673], ['B', ' CA ', 207.16, 246.352, 274.807], ['B', ' C ', 208.487, 246.076, 275.506], ['B', ' O ', 208.56, 246.02, 276.734], ['B', ' CB ', 206.332, 247.376, 275.573], ['B', ' CG ', 206.867, 248.784, 275.417], ['B', ' OD1', 207.857, 248.961, 274.677], ['B', ' OD2', 206.305, 249.711, 276.035]]
[['B', ' N ', 209.541, 245.909, 274.712], ['B', ' CA ', 210.871, 245.73, 275.272], ['B', ' C ', 211.452, 247.024, 275.82], ['B', ' O ', 212.511, 246.983, 276.458], ['B', ' CB ', 211.812, 245.157, 274.215], ['B', ' CG ', 211.295, 243.908, 273.552], ['B', ' CD1', 210.989, 242.783, 274.298], ['B', ' CD2', 211.118, 243.852, 272.181], ['B', ' CE1', 210.518, 241.638, 273.697], ['B', ' CE2', 210.648, 242.712, 271.572], ['B', ' CZ ', 210.35, 241.608, 272.334], ['B', ' OH ', 209.879, 240.467, 271.732]]
[['B', ' N ', 210.793, 248.162, 275.579], ['B', ' CA ', 211.342, 249.445, 276.005], ['B', ' C ', 211.519, 249.497, 277.514], ['B', ' O ', 212.542, 249.983, 278.009], ['B', ' CB ', 210.444, 250.586, 275.529], ['B', ' OG ', 210.947, 251.841, 275.955]]
[['B', ' N ', 210.536, 248.998, 278.265], ['B', ' CA ', 210.677, 248.964, 279.715], ['B', ' C ', 211.772, 247.986, 280.125], ['B', ' O ', 212.437, 248.183, 281.149], ['B', ' CB ', 209.324, 248.632, 280.373], ['B', ' CG1', 208.856, 247.24, 279.984], ['B', ' CG2', 209.414, 248.772, 281.883]]
[['B', ' N ', 211.996, 246.934, 279.335], ['B', ' CA ', 212.982, 245.928, 279.716], ['B', ' C ', 214.406, 246.439, 279.526], ['B', ' O ', 215.269, 246.219, 280.383], ['B', ' CB ', 212.756, 244.637, 278.93], ['B', ' CG ', 211.982, 243.546, 279.682], ['B', ' CD1', 210.668, 244.074, 280.232], ['B', ' CD2', 211.738, 242.329, 278.8]]
[['B', ' N ', 214.679, 247.125, 278.416], ['B', ' CA ', 216.046, 247.592, 278.208], ['B', ' C ', 216.325, 248.949, 278.842], ['B', ' O ', 217.487, 249.369, 278.869], ['B', ' CB ', 216.399, 247.639, 276.714], ['B', ' CG ', 215.591, 248.588, 275.847], ['B', ' CD1', 215.692, 249.968, 275.99], ['B', ' CD2', 214.767, 248.098, 274.843], ['B', ' CE1', 214.964, 250.826, 275.187], ['B', ' CE2', 214.041, 248.946, 274.033], ['B', ' CZ ', 214.142, 250.308, 274.208], ['B', ' OH ', 213.415, 251.152, 273.4]]
[['B', ' N ', 215.306, 249.644, 279.342], ['B', ' CA ', 215.498, 250.916, 280.024], ['B', ' C ', 215.593, 250.76, 281.536], ['B', ' O ', 215.705, 251.763, 282.247], ['B', ' CB ', 214.373, 251.888, 279.666], ['B', ' CG ', 214.465, 252.38, 278.235], ['B', ' ND2', 213.321, 252.475, 277.567], ['B', ' OD1', 215.552, 252.67, 277.735]]
[['B', ' N ', 215.547, 249.53, 282.039], ['B', ' CA ', 215.739, 249.242, 283.454], ['B', ' C ', 217.137, 248.669, 283.637], ['B', ' O ', 217.455, 247.611, 283.082], ['B', ' CB ', 214.679, 248.268, 283.966], ['B', ' OG ', 213.379, 248.808, 283.801]]
[['B', ' N ', 217.965, 249.362, 284.419], ['B', ' CA ', 219.378, 249.035, 284.554], ['B', ' C ', 219.646, 248.048, 285.684], ['B', ' O ', 220.755, 248.011, 286.227], ['B', ' CB ', 220.197, 250.309, 284.757]]
[['B', ' N ', 218.654, 247.242, 286.048], ['B', ' CA ', 218.838, 246.212, 287.059], ['B', ' C ', 219.389, 244.916, 286.482], ['B', ' O ', 219.627, 243.97, 287.238], ['B', ' CB ', 217.514, 245.938, 287.779], ['B', ' OG ', 216.456, 245.774, 286.854]]
[['B', ' N ', 219.598, 244.853, 285.171], ['B', ' CA ', 220.137, 243.673, 284.51], ['B', ' C ', 221.632, 243.863, 284.294], ['B', ' O ', 222.067, 244.922, 283.831], ['B', ' CB ', 219.428, 243.425, 283.177], ['B', ' CG ', 217.97, 243.076, 283.318], ['B', ' CD1', 217.509, 242.398, 284.432], ['B', ' CD2', 217.062, 243.427, 282.337], ['B', ' CE1', 216.171, 242.08, 284.561], ['B', ' CE2', 215.726, 243.108, 282.464], ['B', ' CZ ', 215.281, 242.434, 283.575]]
[['B', ' N ', 222.415, 242.84, 284.635], ['B', ' CA ', 223.866, 242.955, 284.629], ['B', ' C ', 224.516, 242.517, 283.324], ['B', ' O ', 225.729, 242.689, 283.173], ['B', ' CB ', 224.463, 242.141, 285.78], ['B', ' OG ', 225.878, 242.179, 285.743]]
[['B', ' N ', 223.758, 241.956, 282.383], ['B', ' CA ', 224.338, 241.535, 281.108], ['B', ' C ', 223.226, 241.474, 280.07], ['B', ' O ', 222.354, 240.605, 280.153], ['B', ' CB ', 225.037, 240.186, 281.243], ['B', ' CG2', 225.586, 239.733, 279.898], ['B', ' OG1', 226.12, 240.296, 282.175]]
[['B', ' N ', 223.265, 242.385, 279.098], ['B', ' CA ', 222.28, 242.453, 278.019], ['B', ' C ', 223.048, 242.65, 276.716], ['B', ' O ', 223.209, 243.778, 276.245], ['B', ' CB ', 221.293, 243.582, 278.279], ['B', ' CG ', 220.001, 243.461, 277.526], ['B', ' CD1', 219.956, 243.654, 276.16], ['B', ' CD2', 218.825, 243.182, 278.195], ['B', ' CE1', 218.764, 243.562, 275.477], ['B', ' CE2', 217.632, 243.086, 277.512], ['B', ' CZ ', 217.603, 243.274, 276.152]]
[['B', ' N ', 223.503, 241.547, 276.126], ['B', ' CA ', 224.289, 241.559, 274.895], ['B', ' C ', 223.561, 240.696, 273.876], ['B', ' O ', 223.471, 239.475, 274.047], ['B', ' CB ', 225.704, 241.039, 275.14], ['B', ' CG ', 226.536, 241.893, 276.082], ['B', ' CD ', 226.889, 243.236, 275.466], ['B', ' CE ', 227.993, 243.087, 274.43], ['B', ' NZ ', 228.361, 244.391, 273.814]]
[['B', ' N ', 223.048, 241.318, 272.821], ['B', ' CA ', 222.206, 240.624, 271.862], ['B', ' C ', 222.97, 240.337, 270.581], ['B', ' O ', 223.695, 241.194, 270.071], ['B', ' CB ', 220.934, 241.416, 271.549], ['B', ' SG ', 219.771, 241.614, 272.941]]
[['B', ' N ', 222.798, 239.126, 270.066], ['B', ' CA ', 223.462, 238.686, 268.85], ['B', ' C ', 222.5, 238.827, 267.681], ['B', ' O ', 221.395, 238.276, 267.711], ['B', ' CB ', 223.938, 237.24, 268.989], ['B', ' CG ', 224.897, 237.041, 270.137], ['B', ' CD1', 226.133, 237.669, 270.148], ['B', ' CD2', 224.552, 236.256, 271.229], ['B', ' CE1', 227.01, 237.499, 271.2], ['B', ' CE2', 225.421, 236.084, 272.287], ['B', ' CZ ', 226.649, 236.707, 272.266], ['B', ' OH ', 227.523, 236.544, 273.313]]
[['B', ' N ', 222.913, 239.583, 266.669], ['B', ' CA ', 222.138, 239.723, 265.458], ['B', ' C ', 220.981, 240.692, 265.526], ['B', ' O ', 220.393, 240.993, 264.486]]
[['B', ' N ', 220.647, 241.22, 266.696], ['B', ' CA ', 219.515, 242.125, 266.834], ['B', ' C ', 219.947, 243.337, 267.645], ['B', ' O ', 220.73, 243.228, 268.592], ['B', ' CB ', 218.313, 241.416, 267.488], ['B', ' CG1', 217.222, 242.402, 267.811], ['B', ' CG2', 217.78, 240.344, 266.558]]
[['B', ' N ', 219.436, 244.503, 267.259], ['B', ' CA ', 219.725, 245.736, 267.98], ['B', ' C ', 218.7, 245.945, 269.083], ['B', ' O ', 217.506, 246.082, 268.783], ['B', ' CB ', 219.712, 246.921, 267.04], ['B', ' OG ', 220.74, 246.796, 266.081]]
[['B', ' N ', 219.109, 245.998, 270.352], ['B', ' CA ', 218.126, 246.202, 271.428], ['B', ' C ', 217.337, 247.491, 271.293], ['B', ' O ', 216.241, 247.596, 271.857], ['B', ' CB ', 218.991, 246.194, 272.697], ['B', ' CG ', 220.4, 246.375, 272.222], ['B', ' CD ', 220.456, 245.741, 270.88]]
[['B', ' N ', 217.861, 248.482, 270.572], ['B', ' CA ', 217.085, 249.686, 270.301], ['B', ' C ', 215.975, 249.41, 269.291], ['B', ' O ', 214.833, 249.846, 269.472], ['B', ' CB ', 218.003, 250.8, 269.796], ['B', ' CG2', 218.773, 251.426, 270.951], ['B', ' OG1', 218.93, 250.262, 268.845]]
[['B', ' N ', 216.294, 248.685, 268.217], ['B', ' CA ', 215.323, 248.399, 267.167], ['B', ' C ', 214.32, 247.325, 267.56], ['B', ' O ', 213.385, 247.072, 266.794], ['B', ' CB ', 216.042, 247.966, 265.89], ['B', ' CG ', 217.173, 248.88, 265.459], ['B', ' CD ', 216.734, 249.827, 264.366], ['B', ' CE ', 217.868, 250.747, 263.953], ['B', ' NZ ', 219.054, 249.991, 263.48]]
[['B', ' N ', 214.497, 246.683, 268.718], ['B', ' CA ', 213.605, 245.597, 269.117], ['B', ' C ', 212.166, 246.064, 269.259], ['B', ' O ', 211.24, 245.254, 269.157], ['B', ' CB ', 214.077, 244.983, 270.432], ['B', ' CG ', 214.833, 243.671, 270.292], ['B', ' CD1', 215.12, 243.081, 271.657], ['B', ' CD2', 214.023, 242.719, 269.446]]
[['B', ' N ', 211.952, 247.355, 269.496], ['B', ' CA ', 210.592, 247.857, 269.606], ['B', ' C ', 209.855, 247.801, 268.278], ['B', ' O ', 208.637, 247.993, 268.252], ['B', ' CB ', 210.605, 249.292, 270.127], ['B', ' CG ', 211.17, 249.4, 271.529], ['B', ' ND2', 210.466, 248.827, 272.498], ['B', ' OD1', 212.22, 250.003, 271.74]]
[['B', ' N ', 210.563, 247.547, 267.178], ['B', ' CA ', 210.001, 247.666, 265.838], ['B', ' C ', 209.672, 246.322, 265.202], ['B', ' O ', 208.582, 246.15, 264.651], ['B', ' CB ', 210.97, 248.431, 264.931], ['B', ' CG ', 210.8, 249.927, 265.032], ['B', ' OD1', 210.223, 250.394, 266.033], ['B', ' OD2', 211.235, 250.635, 264.104]]
[['B', ' N ', 210.598, 245.37, 265.257], ['B', ' CA ', 210.445, 244.131, 264.51], ['B', ' C ', 209.309, 243.281, 265.06], ['B', ' O ', 209.135, 243.156, 266.274], ['B', ' CB ', 211.74, 243.332, 264.546], ['B', ' CG ', 212.954, 243.973, 263.888], ['B', ' CD1', 213.959, 242.889, 263.584], ['B', ' CD2', 212.564, 244.729, 262.629]]
[['B', ' N ', 208.544, 242.685, 264.15], ['B', ' CA ', 207.5, 241.733, 264.495], ['B', ' C ', 208.01, 240.328, 264.206], ['B', ' O ', 208.562, 240.074, 263.131], ['B', ' CB ', 206.218, 242.015, 263.715], ['B', ' SG ', 204.776, 241.133, 264.342]]
[['B', ' N ', 207.819, 239.423, 265.164], ['B', ' CA ', 208.507, 238.14, 265.202], ['B', ' C ', 207.537, 236.993, 264.972], ['B', ' O ', 206.388, 237.04, 265.42], ['B', ' CB ', 209.2, 237.952, 266.547], ['B', ' CG ', 210.396, 238.819, 266.73], ['B', ' CD1', 211.502, 238.669, 265.922], ['B', ' CD2', 210.404, 239.803, 267.7], ['B', ' CE1', 212.603, 239.476, 266.087], ['B', ' CE2', 211.498, 240.613, 267.869], ['B', ' CZ ', 212.6, 240.451, 267.063]]
[['B', ' N ', 208.01, 235.956, 264.281], ['B', ' CA ', 207.162, 234.797, 264.023], ['B', ' C ', 206.945, 233.983, 265.292], ['B', ' O ', 205.805, 233.775, 265.723], ['B', ' CB ', 207.775, 233.925, 262.928], ['B', ' CG2', 206.752, 232.917, 262.422], ['B', ' OG1', 208.196, 234.75, 261.837]]
[['B', ' N ', 208.03, 233.514, 265.903], ['B', ' CA ', 207.962, 232.749, 267.139], ['B', ' C ', 208.983, 233.305, 268.112], ['B', ' O ', 210.129, 233.562, 267.735], ['B', ' CB ', 208.248, 231.27, 266.9], ['B', ' CG ', 207.606, 230.758, 265.644], ['B', ' ND2', 206.283, 230.816, 265.595], ['B', ' OD1', 208.288, 230.327, 264.715]]
[['B', ' N ', 208.573, 233.488, 269.361], ['B', ' CA ', 209.466, 233.968, 270.406], ['B', ' C ', 209.463, 232.958, 271.541], ['B', ' O ', 208.397, 232.566, 272.027], ['B', ' CB ', 209.056, 235.358, 270.919], ['B', ' CG1', 210.112, 235.899, 271.862], ['B', ' CG2', 208.848, 236.298, 269.761]]
[['B', ' N ', 210.648, 232.542, 271.963], ['B', ' CA ', 210.8, 231.594, 273.052], ['B', ' C ', 211.337, 232.308, 274.283], ['B', ' O ', 212.094, 233.275, 274.17], ['B', ' CB ', 211.742, 230.458, 272.662], ['B', ' CG ', 211.128, 229.433, 271.744], ['B', ' CD1', 209.77, 229.441, 271.47], ['B', ' CD2', 211.908, 228.457, 271.146], ['B', ' CE1', 209.21, 228.504, 270.629], ['B', ' CE2', 211.351, 227.514, 270.307], ['B', ' CZ ', 210.001, 227.544, 270.053], ['B', ' OH ', 209.44, 226.612, 269.217]]
[['B', ' N ', 210.938, 231.829, 275.455], ['B', ' CA ', 211.471, 232.303, 276.721], ['B', ' C ', 212.043, 231.123, 277.491], ['B', ' O ', 211.466, 230.032, 277.49], ['B', ' CB ', 210.395, 233.003, 277.549]]
[['B', ' N ', 213.18, 231.34, 278.142], ['B', ' CA ', 213.865, 230.298, 278.887], ['B', ' C ', 214.118, 230.777, 280.307], ['B', ' O ', 214.133, 231.98, 280.579], ['B', ' CB ', 215.184, 229.92, 278.218], ['B', ' CG ', 215.011, 229.58, 276.757], ['B', ' OD1', 213.91, 229.132, 276.383], ['B', ' OD2', 215.965, 229.762, 275.976]]
[['B', ' N ', 214.32, 229.827, 281.216], ['B', ' CA ', 214.483, 230.165, 282.626], ['B', ' C ', 215.355, 229.122, 283.305], ['B', ' O ', 215.026, 227.932, 283.281], ['B', ' CB ', 213.119, 230.262, 283.314], ['B', ' OG ', 212.499, 228.991, 283.395]]
[['B', ' N ', 216.459, 229.568, 283.903], ['B', ' CA ', 217.301, 228.696, 284.711], ['B', ' C ', 218.171, 229.55, 285.621], ['B', ' O ', 218.338, 230.753, 285.402], ['B', ' CB ', 218.17, 227.777, 283.85], ['B', ' CG ', 218.871, 228.478, 282.734], ['B', ' CD1', 220.023, 229.2, 282.968], ['B', ' CD2', 218.388, 228.398, 281.445], ['B', ' CE1', 220.673, 229.84, 281.94], ['B', ' CE2', 219.035, 229.033, 280.411], ['B', ' CZ ', 220.179, 229.755, 280.659]]
[['B', ' N ', 218.731, 228.907, 286.643], ['B', ' CA ', 219.575, 229.568, 287.632], ['B', ' C ', 220.895, 228.812, 287.702], ['B', ' O ', 220.936, 227.673, 288.184], ['B', ' CB ', 218.912, 229.623, 289.013], ['B', ' CG1', 219.873, 230.197, 290.039], ['B', ' CG2', 217.639, 230.44, 288.954]]
[['B', ' N ', 221.975, 229.447, 287.25], ['B', ' CA ', 223.3, 228.846, 287.259], ['B', ' C ', 224.258, 229.784, 287.982], ['B', ' O ', 223.908, 230.902, 288.359], ['B', ' CB ', 223.82, 228.541, 285.842], ['B', ' CG1', 224.138, 229.84, 285.105], ['B', ' CG2', 222.809, 227.726, 285.068], ['B', ' CD1', 224.969, 229.642, 283.861]]
[['B', ' N ', 225.484, 229.3, 288.177], ['B', ' CA ', 226.517, 230.111, 288.804], ['B', ' C ', 226.861, 231.307, 287.925], ['B', ' O ', 227.028, 231.182, 286.709], ['B', ' CB ', 227.763, 229.263, 289.073], ['B', ' CG ', 228.334, 228.579, 287.841], ['B', ' CD ', 229.438, 227.601, 288.208], ['B', ' NE ', 230.681, 228.278, 288.564], ['B', ' CZ ', 231.768, 227.659, 289.015], ['B', ' NH1', 231.768, 226.342, 289.165], ['B', ' NH2', 232.856, 228.355, 289.314]]
[['B', ' N ', 226.966, 232.475, 288.552], ['B', ' CA ', 227.168, 233.727, 287.854], ['B', ' C ', 228.599, 234.064, 287.504], ['B', ' O ', 228.845, 235.145, 286.955]]
[['B', ' N ', 229.551, 233.189, 287.805], ['B', ' CA ', 230.939, 233.402, 287.431], ['B', ' C ', 231.243, 232.918, 286.023], ['B', ' O ', 232.376, 233.077, 285.557], ['B', ' CB ', 231.866, 232.698, 288.424], ['B', ' CG ', 231.724, 231.192, 288.381], ['B', ' OD1', 230.674, 230.68, 288.822], ['B', ' OD2', 232.662, 230.517, 287.907]]
[['B', ' N ', 230.265, 232.332, 285.338], ['B', ' CA ', 230.461, 231.811, 283.993], ['B', ' C ', 229.303, 232.226, 283.096], ['B', ' O ', 228.76, 231.42, 282.333], ['B', ' CB ', 230.625, 230.292, 284.012], ['B', ' CG ', 231.52, 229.75, 282.911], ['B', ' CD ', 232.973, 230.148, 283.092], ['B', ' OE1', 233.382, 230.411, 284.243], ['B', ' OE2', 233.707, 230.195, 282.083]]
[['B', ' N ', 228.906, 233.498, 283.187], ['B', ' CA ', 227.868, 234.033, 282.311], ['B', ' C ', 228.285, 233.917, 280.854], ['B', ' O ', 227.458, 233.621, 279.982], ['B', ' CB ', 227.554, 235.492, 282.696], ['B', ' CG1', 226.604, 236.122, 281.698], ['B', ' CG2', 226.958, 235.55, 284.089]]
[['B', ' N ', 229.572, 234.124, 280.57], ['B', ' CA ', 230.075, 234.058, 279.203], ['B', ' C ', 229.836, 232.697, 278.562], ['B', ' O ', 229.791, 232.603, 277.331], ['B', ' CB ', 231.568, 234.397, 279.201], ['B', ' CG ', 232.277, 234.216, 277.872], ['B', ' CD ', 233.786, 234.251, 278.051], ['B', ' NE ', 234.213, 233.565, 279.269], ['B', ' CZ ', 234.199, 232.246, 279.437], ['B', ' NH1', 233.783, 231.45, 278.461], ['B', ' NH2', 234.607, 231.721, 280.583]]
[['B', ' N ', 229.643, 231.648, 279.365], ['B', ' CA ', 229.49, 230.303, 278.825], ['B', ' C ', 228.223, 230.131, 277.992], ['B', ' O ', 228.108, 229.129, 277.279], ['B', ' CB ', 229.515, 229.281, 279.964], ['B', ' CG ', 230.003, 227.901, 279.545], ['B', ' CD ', 230.144, 226.949, 280.715], ['B', ' NE2', 230.676, 225.762, 280.451], ['B', ' OE1', 229.774, 227.273, 281.842]]
[['B', ' N ', 227.281, 231.065, 278.055], ['B', ' CA ', 226.102, 231.042, 277.192], ['B', ' C ', 226.415, 231.954, 276.011], ['B', ' O ', 226.134, 233.153, 276.025], ['B', ' CB ', 224.84, 231.473, 277.932], ['B', ' CG1', 224.77, 230.799, 279.302], ['B', ' CG2', 223.61, 231.142, 277.104], ['B', ' CD1', 223.448, 230.997, 280.007]]
[['B', ' N ', 227.003, 231.378, 274.973], ['B', ' CA ', 227.374, 232.091, 273.763], ['B', ' C ', 227.072, 231.2, 272.571], ['B', ' O ', 227.019, 229.973, 272.707], ['B', ' CB ', 228.857, 232.484, 273.776]]
[['B', ' N ', 226.872, 231.784, 271.385], ['B', ' CA ', 226.466, 230.966, 270.229], ['B', ' C ', 227.467, 229.885, 269.862], ['B', ' O ', 227.085, 228.905, 269.21], ['B', ' CB ', 226.314, 231.998, 269.101], ['B', ' CG ', 227.027, 233.217, 269.581], ['B', ' CD ', 226.884, 233.218, 271.06]]
[['B', ' N ', 228.73, 230.029, 270.254], ['B', ' CA ', 229.694, 228.956, 270.114], ['B', ' C ', 230.722, 228.999, 271.223], ['B', ' O ', 231.394, 230.016, 271.416]]
[['B', ' N ', 230.865, 227.895, 271.951], ['B', ' CA ', 231.744, 227.845, 273.109], ['B', ' C ', 232.229, 226.415, 273.299], ['B', ' O ', 231.849, 225.503, 272.558], ['B', ' CB ', 231.035, 228.352, 274.369], ['B', ' CG ', 231.137, 229.847, 274.59], ['B', ' CD ', 232.561, 230.35, 274.502], ['B', ' NE2', 233.389, 229.956, 275.461], ['B', ' OE1', 232.914, 231.086, 273.582]]
[['B', ' N ', 233.077, 226.226, 274.309], ['B', ' CA ', 233.601, 224.91, 274.674], ['B', ' C ', 233.69, 224.865, 276.195], ['B', ' O ', 234.639, 225.394, 276.782], ['B', ' CB ', 234.959, 224.649, 274.034], ['B', ' CG2', 234.805, 224.282, 272.565], ['B', ' OG1', 235.774, 225.822, 274.148]]
[['B', ' N ', 232.702, 224.24, 276.828], ['B', ' CA ', 232.685, 224.138, 278.275], ['B', ' C ', 231.806, 222.992, 278.719], ['B', ' O ', 231.056, 222.41, 277.932]]
[['B', ' N ', 231.915, 222.67, 280.011], ['B', ' CA ', 231.135, 221.567, 280.566], ['B', ' C ', 229.64, 221.837, 280.455], ['B', ' O ', 228.864, 220.942, 280.097], ['B', ' CB ', 231.534, 221.323, 282.021], ['B', ' CG ', 232.502, 220.169, 282.205], ['B', ' CD ', 231.752, 218.86, 282.38], ['B', ' CE ', 232.688, 217.668, 282.301], ['B', ' NZ ', 232.0, 216.408, 282.69]]
[['B', ' N ', 229.216, 223.063, 280.765], ['B', ' CA ', 227.829, 223.442, 280.524], ['B', ' C ', 227.532, 223.403, 279.034], ['B', ' O ', 226.465, 222.946, 278.607], ['B', ' CB ', 227.539, 224.828, 281.126], ['B', ' CG1', 227.872, 224.838, 282.618], ['B', ' CG2', 226.09, 225.212, 280.898], ['B', ' CD1', 227.222, 223.717, 283.395]]
[['B', ' N ', 228.476, 223.876, 278.218], ['B', ' CA ', 228.327, 223.805, 276.772], ['B', ' C ', 228.376, 222.376, 276.252], ['B', ' O ', 227.995, 222.136, 275.101], ['B', ' CB ', 229.41, 224.642, 276.091]]
[['B', ' N ', 228.834, 221.425, 277.063], ['B', ' CA ', 228.94, 220.035, 276.637], ['B', ' C ', 227.744, 219.187, 277.044], ['B', ' O ', 227.246, 218.403, 276.231], ['B', ' CB ', 230.218, 219.404, 277.199], ['B', ' CG ', 231.445, 219.75, 276.382], ['B', ' OD1', 231.31, 219.931, 275.155], ['B', ' OD2', 232.544, 219.84, 276.966]]
[['B', ' N ', 227.264, 219.324, 278.282], ['B', ' CA ', 226.228, 218.433, 278.787], ['B', ' C ', 225.058, 219.155, 279.447], ['B', ' O ', 224.202, 218.491, 280.043], ['B', ' CB ', 226.821, 217.429, 279.785], ['B', ' CG ', 228.043, 216.686, 279.291], ['B', ' CD1', 227.984, 215.895, 278.152], ['B', ' CD2', 229.247, 216.755, 279.979], ['B', ' CE1', 229.094, 215.205, 277.703], ['B', ' CE2', 230.362, 216.068, 279.538], ['B', ' CZ ', 230.279, 215.295, 278.4], ['B', ' OH ', 231.384, 214.61, 277.954]]
[['B', ' N ', 224.984, 220.481, 279.366], ['B', ' CA ', 223.946, 221.172, 280.122], ['B', ' C ', 223.126, 222.14, 279.278], ['B', ' O ', 221.932, 222.321, 279.537], ['B', ' CB ', 224.573, 221.902, 281.308], ['B', ' CG ', 225.358, 220.97, 282.211], ['B', ' ND2', 226.608, 220.708, 281.848], ['B', ' OD1', 224.844, 220.483, 283.217]]
[['B', ' N ', 223.739, 222.759, 278.271], ['B', ' CA ', 223.018, 223.715, 277.44], ['B', ' C ', 223.87, 224.037, 276.223], ['B', ' O ', 225.096, 223.906, 276.264], ['B', ' CB ', 222.693, 224.995, 278.22], ['B', ' CG ', 221.808, 225.964, 277.48], ['B', ' CD1', 220.442, 225.745, 277.386], ['B', ' CD2', 222.332, 227.097, 276.881], ['B', ' CE1', 219.623, 226.625, 276.716], ['B', ' CE2', 221.52, 227.983, 276.207], ['B', ' CZ ', 220.167, 227.742, 276.128], ['B', ' OH ', 219.353, 228.622, 275.454]]
[['B', ' N ', 223.213, 224.458, 275.143], ['B', ' CA ', 223.93, 224.795, 273.921], ['B', ' C ', 223.045, 225.673, 273.049], ['B', ' O ', 221.836, 225.772, 273.262], ['B', ' CB ', 224.369, 223.535, 273.168], ['B', ' CG ', 225.526, 223.759, 272.208], ['B', ' CD ', 226.78, 224.189, 272.948], ['B', ' CE ', 227.954, 224.317, 271.999], ['B', ' NZ ', 229.152, 224.875, 272.678]]
[['B', ' N ', 223.671, 226.31, 272.064], ['B', ' CA ', 223.029, 227.262, 271.175], ['B', ' C ', 223.32, 226.917, 269.723], ['B', ' O ', 224.365, 226.337, 269.415], ['B', ' CB ', 223.512, 228.687, 271.463], ['B', ' CG ', 222.829, 229.345, 272.653], ['B', ' CD1', 223.231, 230.798, 272.756], ['B', ' CD2', 221.328, 229.21, 272.528]]
[['B', ' N ', 222.414, 227.272, 268.805], ['B', ' CA ', 222.639, 226.968, 267.385], ['B', ' C ', 223.606, 227.928, 266.707], ['B', ' O ', 224.25, 228.748, 267.369], ['B', ' CB ', 221.235, 227.059, 266.776], ['B', ' CG ', 220.448, 227.898, 267.705], ['B', ' CD ', 221.113, 227.915, 269.046]]
[['B', ' N ', 223.718, 227.812, 265.38], ['B', ' CA ', 224.74, 228.538, 264.629], ['B', ' C ', 224.598, 230.047, 264.794], ['B', ' O ', 225.473, 230.709, 265.362], ['B', ' CB ', 224.665, 228.153, 263.15], ['B', ' CG ', 225.86, 228.646, 262.354], ['B', ' OD1', 226.793, 229.212, 262.961], ['B', ' OD2', 225.864, 228.473, 261.117]]
[['B', ' N ', 223.501, 230.614, 264.297], ['B', ' CA ', 223.336, 232.061, 264.295], ['B', ' C ', 222.651, 232.588, 265.545], ['B', ' O ', 223.091, 233.598, 266.099], ['B', ' CB ', 222.549, 232.505, 263.061], ['B', ' CG ', 222.774, 233.968, 262.724], ['B', ' OD1', 222.316, 234.838, 263.494], ['B', ' OD2', 223.419, 234.245, 261.69]]
[['B', ' N ', 221.584, 231.931, 265.995], ['B', ' CA ', 220.878, 232.294, 267.223], ['B', ' C ', 220.482, 233.775, 267.211], ['B', ' O ', 220.982, 234.606, 267.966], ['B', ' CB ', 221.722, 231.93, 268.449], ['B', ' CG ', 221.249, 232.559, 269.724], ['B', ' CD1', 219.942, 232.418, 270.14], ['B', ' CD2', 222.116, 233.312, 270.497], ['B', ' CE1', 219.514, 233.009, 271.31], ['B', ' CE2', 221.693, 233.902, 271.667], ['B', ' CZ ', 220.391, 233.75, 272.074]]
[['B', ' N ', 219.587, 234.096, 266.287], ['B', ' CA ', 218.96, 235.41, 266.302], ['B', ' C ', 218.055, 235.499, 267.525], ['B', ' O ', 217.123, 234.705, 267.682], ['B', ' CB ', 218.2, 235.655, 265.001], ['B', ' CG2', 217.254, 234.502, 264.672], ['B', ' OG1', 217.481, 236.892, 265.084]]
[['B', ' N ', 218.348, 236.444, 268.41], ['B', ' CA ', 217.719, 236.494, 269.716], ['B', ' C ', 218.801, 236.623, 270.761], ['B', ' O ', 219.978, 236.514, 270.409]]
[['B', ' N ', 218.465, 236.836, 272.031], ['B', ' CA ', 219.531, 237.149, 272.972], ['B', ' C ', 219.143, 236.816, 274.405], ['B', ' O ', 218.084, 236.247, 274.682], ['B', ' CB ', 219.949, 238.607, 272.838], ['B', ' SG ', 218.724, 239.874, 273.125]]
[['B', ' N ', 220.039, 237.205, 275.317], ['B', ' CA ', 220.14, 236.667, 276.665], ['B', ' C ', 220.343, 237.811, 277.647], ['B', ' O ', 221.015, 238.801, 277.346], ['B', ' CB ', 221.299, 235.653, 276.758], ['B', ' CG1', 222.619, 236.326, 276.425], ['B', ' CG2', 221.361, 235.035, 278.128]]
[['B', ' N ', 219.747, 237.677, 278.826], ['B', ' CA ', 219.842, 238.683, 279.874], ['B', ' C ', 220.265, 238.0, 281.165], ['B', ' O ', 219.77, 236.916, 281.492], ['B', ' CB ', 218.505, 239.42, 280.077], ['B', ' CG1', 217.893, 239.813, 278.734], ['B', ' CG2', 218.71, 240.646, 280.94], ['B', ' CD1', 216.399, 240.056, 278.799]]
[['B', ' N ', 221.174, 238.635, 281.904], ['B', ' CA ', 221.66, 238.103, 283.171], ['B', ' C ', 221.605, 239.183, 284.24], ['B', ' O ', 222.04, 240.314, 284.006], ['B', ' CB ', 223.09, 237.573, 283.038]]
[['B', ' N ', 221.074, 238.831, 285.411], ['B', ' CA ', 221.055, 239.731, 286.555], ['B', ' C ', 221.368, 238.942, 287.819], ['B', ' O ', 221.09, 237.742, 287.904], ['B', ' CB ', 219.704, 240.452, 286.688], ['B', ' CG ', 218.592, 239.608, 287.229], ['B', ' CD1', 218.314, 239.364, 288.541], ['B', ' CD2', 217.59, 238.92, 286.475], ['B', ' CE2', 216.746, 238.27, 287.396], ['B', ' CE3', 217.326, 238.787, 285.111], ['B', ' NE1', 217.211, 238.556, 288.651], ['B', ' CZ2', 215.659, 237.5, 286.997], ['B', ' CZ3', 216.243, 238.018, 284.715], ['B', ' CH2', 215.424, 237.386, 285.655]]
[['B', ' N ', 221.95, 239.629, 288.8], ['B', ' CA ', 222.353, 238.978, 290.04], ['B', ' C ', 221.142, 238.589, 290.878], ['B', ' O ', 220.175, 239.347, 290.996], ['B', ' CB ', 223.272, 239.89, 290.847], ['B', ' CG ', 223.743, 239.246, 292.131], ['B', ' ND2', 223.8, 240.029, 293.2], ['B', ' OD1', 224.055, 238.056, 292.163]]
[['B', ' N ', 221.21, 237.4, 291.479], ['B', ' CA ', 220.093, 236.84, 292.225], ['B', ' C ', 220.441, 236.437, 293.651], ['B', ' O ', 219.629, 235.767, 294.3], ['B', ' CB ', 219.525, 235.621, 291.489], ['B', ' OG ', 218.327, 235.172, 292.098]]
[['B', ' N ', 221.612, 236.815, 294.16], ['B', ' CA ', 222.008, 236.458, 295.522], ['B', ' C ', 221.402, 237.436, 296.531], ['B', ' O ', 222.085, 238.046, 297.354], ['B', ' CB ', 223.524, 236.414, 295.638], ['B', ' CG ', 223.99, 235.643, 296.852], ['B', ' ND2', 224.526, 236.356, 297.834], ['B', ' OD1', 223.864, 234.421, 296.911]]
[['B', ' N ', 220.082, 237.578, 296.446], ['B', ' CA ', 219.342, 238.436, 297.36], ['B', ' C ', 218.072, 237.801, 297.899], ['B', ' O ', 217.524, 238.315, 298.878], ['B', ' CB ', 218.985, 239.76, 296.671], ['B', ' CG ', 218.449, 239.557, 295.269], ['B', ' ND2', 218.133, 240.654, 294.589], ['B', ' OD1', 218.322, 238.426, 294.8]]
[['B', ' N ', 217.59, 236.721, 297.313], ['B', ' CA ', 216.384, 236.048, 297.778], ['B', ' C ', 216.592, 234.561, 298.015], ['B', ' O ', 215.975, 233.997, 298.922], ['B', ' CB ', 215.245, 236.265, 296.766], ['B', ' CG ', 213.963, 235.452, 296.955], ['B', ' CD1', 213.291, 235.806, 298.272], ['B', ' CD2', 213.013, 235.669, 295.79]]
[['B', ' N ', 217.454, 233.913, 297.233], ['B', ' CA ', 217.645, 232.471, 297.306], ['B', ' C ', 219.061, 232.093, 297.731], ['B', ' O ', 219.6, 231.082, 297.277], ['B', ' CB ', 217.304, 231.824, 295.965], ['B', ' CG ', 215.907, 232.168, 295.494], ['B', ' OD1', 215.043, 232.444, 296.353], ['B', ' OD2', 215.672, 232.164, 294.268]]
[['B', ' N ', 219.68, 232.901, 298.594], ['B', ' CA ', 220.992, 232.54, 299.124], ['B', ' C ', 220.907, 231.278, 299.976], ['B', ' O ', 221.731, 230.366, 299.835], ['B', ' CB ', 221.572, 233.702, 299.932], ['B', ' OG ', 222.91, 233.439, 300.315]]
[['B', ' N ', 219.903, 231.203, 300.851], ['B', ' CA ', 219.649, 230.044, 301.708], ['B', ' C ', 220.916, 229.636, 302.467], ['B', ' O ', 221.511, 228.583, 302.238], ['B', ' CB ', 219.083, 228.877, 300.893], ['B', ' CG ', 218.14, 227.98, 301.682], ['B', ' CD ', 218.858, 226.762, 302.237], ['B', ' CE ', 217.896, 225.835, 302.959], ['B', ' NZ ', 218.59, 224.64, 303.509]]
[['B', ' N ', 221.322, 230.537, 303.366], ['B', ' CA ', 222.55, 230.349, 304.128], ['B', ' C ', 222.519, 229.018, 304.867], ['B', ' O ', 221.481, 228.593, 305.387], ['B', ' CB ', 222.75, 231.526, 305.099], ['B', ' CG1', 222.966, 232.814, 304.325], ['B', ' CG2', 221.551, 231.662, 306.028]]
[['B', ' N ', 223.67, 228.348, 304.904], ['B', ' CA ', 223.788, 227.077, 305.593], ['B', ' C ', 223.144, 225.918, 304.861], ['B', ' O ', 222.156, 225.351, 305.338]]
[['B', ' N ', 223.692, 225.552, 303.704], ['B', ' CA ', 223.11, 224.489, 302.907], ['B', ' C ', 222.846, 224.895, 301.472], ['B', ' O ', 223.785, 225.109, 300.699]]
[['B', ' N ', 221.565, 224.98, 301.107], ['B', ' CA ', 221.133, 225.421, 299.779], ['B', ' C ', 221.577, 224.434, 298.697], ['B', ' O ', 222.245, 224.793, 297.725], ['B', ' CB ', 221.639, 226.837, 299.483], ['B', ' CG ', 220.974, 227.458, 298.273], ['B', ' ND2', 221.343, 228.696, 297.968], ['B', ' OD1', 220.134, 226.837, 297.623]]
[['B', ' N ', 221.202, 223.173, 298.88], ['B', ' CA ', 221.41, 222.139, 297.866], ['B', ' C ', 220.127, 221.908, 297.069], ['B', ' O ', 219.539, 220.827, 297.075], ['B', ' CB ', 221.893, 220.847, 298.519], ['B', ' CG ', 223.372, 220.817, 298.829], ['B', ' CD1', 224.292, 220.414, 297.872], ['B', ' CD2', 223.847, 221.186, 300.08], ['B', ' CE1', 225.645, 220.379, 298.15], ['B', ' CE2', 225.199, 221.157, 300.368], ['B', ' CZ ', 226.093, 220.753, 299.399], ['B', ' OH ', 227.439, 220.724, 299.683]]
[['B', ' N ', 219.69, 222.956, 296.372], ['B', ' CA ', 218.496, 222.895, 295.539], ['B', ' C ', 218.811, 223.04, 294.057], ['B', ' O ', 217.888, 223.169, 293.247], ['B', ' CB ', 217.496, 223.971, 295.965], ['B', ' CG ', 216.89, 223.695, 297.323], ['B', ' ND2', 217.135, 224.589, 298.273], ['B', ' OD1', 216.208, 222.69, 297.517]]
[['B', ' N ', 220.087, 223.026, 293.682], ['B', ' CA ', 220.486, 223.272, 292.305], ['B', ' C ', 221.643, 222.358, 291.938], ['B', ' O ', 222.636, 222.286, 292.666], ['B', ' CB ', 220.868, 224.743, 292.109], ['B', ' CG ', 219.851, 225.699, 292.695], ['B', ' CD1', 218.691, 226.019, 292.006], ['B', ' CD2', 220.039, 226.258, 293.951], ['B', ' CE1', 217.755, 226.884, 292.542], ['B', ' CE2', 219.11, 227.123, 294.495], ['B', ' CZ ', 217.97, 227.432, 293.787], ['B', ' OH ', 217.043, 228.293, 294.327]]
[['B', ' N ', 221.51, 221.662, 290.812], ['B', ' CA ', 222.48, 220.664, 290.389], ['B', ' C ', 222.771, 220.826, 288.904], ['B', ' O ', 221.957, 221.355, 288.144], ['B', ' CB ', 221.976, 219.24, 290.672], ['B', ' CG ', 221.429, 218.948, 292.072], ['B', ' CD1', 219.918, 219.13, 292.117], ['B', ' CD2', 221.812, 217.548, 292.523]]
[['B', ' N ', 223.951, 220.363, 288.494], ['B', ' CA ', 224.328, 220.336, 287.089], ['B', ' C ', 224.922, 218.977, 286.748], ['B', ' O ', 225.482, 218.291, 287.606], ['B', ' CB ', 225.317, 221.458, 286.736], ['B', ' CG ', 226.666, 221.358, 287.403], ['B', ' CD1', 226.872, 221.871, 288.674], ['B', ' CD2', 227.741, 220.77, 286.752], ['B', ' CE1', 228.106, 221.791, 289.284], ['B', ' CE2', 228.98, 220.685, 287.355], ['B', ' CZ ', 229.156, 221.197, 288.621], ['B', ' OH ', 230.388, 221.114, 289.227]]
[['B', ' N ', 224.79, 218.596, 285.48], ['B', ' CA ', 225.16, 217.258, 285.045], ['B', ' C ', 226.671, 217.117, 284.916], ['B', ' O ', 227.358, 218.019, 284.429], ['B', ' CB ', 224.488, 216.928, 283.712], ['B', ' CG ', 224.791, 215.533, 283.195], ['B', ' CD ', 224.197, 215.311, 281.815], ['B', ' NE ', 222.739, 215.393, 281.83], ['B', ' CZ ', 221.94, 214.417, 282.25], ['B', ' NH1', 222.455, 213.278, 282.69], ['B', ' NH2', 220.624, 214.58, 282.228]]
[['B', ' N ', 227.18, 215.973, 285.361], ['B', ' CA ', 228.595, 215.64, 285.286], ['B', ' C ', 228.862, 214.882, 283.983], ['B', ' O ', 228.055, 214.931, 283.051], ['B', ' CB ', 229.008, 214.855, 286.535], ['B', ' CG ', 230.447, 215.045, 287.015], ['B', ' CD1', 230.73, 216.514, 287.281], ['B', ' CD2', 230.708, 214.209, 288.258]]
[['B', ' N ', 230.014, 214.214, 283.899], ['B', ' CA ', 230.437, 213.449, 282.729], ['B', ' C ', 229.288, 212.677, 282.093], ['B', ' O ', 228.529, 211.988, 282.779], ['B', ' CB ', 231.545, 212.472, 283.133], ['B', ' CG ', 232.915, 213.085, 283.183], ['B', ' CD1', 233.522, 213.559, 282.032], ['B', ' CD2', 233.601, 213.179, 284.383], ['B', ' CE1', 234.786, 214.119, 282.077], ['B', ' CE2', 234.864, 213.738, 284.435], ['B', ' CZ ', 235.457, 214.209, 283.28]]
[['B', ' N ', 229.165, 212.804, 280.772], ['B', ' CA ', 228.187, 212.056, 279.995], ['B', ' C ', 228.873, 211.505, 278.753], ['B', ' O ', 229.924, 211.994, 278.334], ['B', ' CB ', 226.98, 212.924, 279.607], ['B', ' CG ', 225.727, 212.134, 279.252], ['B', ' CD ', 224.548, 213.052, 278.961], ['B', ' NE ', 224.695, 213.755, 277.689], ['B', ' CZ ', 224.187, 213.33, 276.536], ['B', ' NH1', 223.491, 212.203, 276.491], ['B', ' NH2', 224.372, 214.035, 275.429]]
[['B', ' N ', 228.263, 210.469, 278.169], ['B', ' CA ', 228.88, 209.766, 277.047], ['B', ' C ', 229.114, 210.7, 275.865], ['B', ' O ', 230.257, 210.943, 275.462], ['B', ' CB ', 228.007, 208.582, 276.627], ['B', ' CG ', 227.797, 207.54, 277.711], ['B', ' CD ', 226.535, 206.735, 277.459], ['B', ' CE ', 226.716, 205.794, 276.28], ['B', ' NZ ', 226.235, 204.42, 276.588]]
[['B', ' N ', 228.04, 211.231, 275.294], ['B', ' CA ', 228.121, 212.116, 274.144], ['B', ' C ', 227.753, 213.537, 274.546], ['B', ' O ', 227.118, 213.773, 275.577], ['B', ' CB ', 227.203, 211.634, 273.015], ['B', ' OG ', 227.612, 210.366, 272.534]]
[['B', ' N ', 228.159, 214.487, 273.71], ['B', ' CA ', 227.868, 215.893, 273.95], ['B', ' C ', 226.394, 216.163, 273.647], ['B', ' O ', 225.614, 215.25, 273.363], ['B', ' CB ', 228.809, 216.77, 273.129], ['B', ' CG ', 228.858, 216.364, 271.672], ['B', ' ND2', 229.723, 217.017, 270.906], ['B', ' OD1', 228.13, 215.472, 271.239]]
[['B', ' N ', 225.991, 217.427, 273.708], ['B', ' CA ', 224.595, 217.807, 273.558], ['B', ' C ', 224.364, 218.5, 272.221], ['B', ' O ', 225.294, 218.766, 271.456], ['B', ' CB ', 224.155, 218.712, 274.714], ['B', ' CG ', 223.555, 217.982, 275.916], ['B', ' CD1', 222.845, 218.96, 276.836], ['B', ' CD2', 222.608, 216.885, 275.458]]
[['B', ' N ', 223.1, 218.789, 271.952], ['B', ' CA ', 222.641, 219.382, 270.708], ['B', ' C ', 221.762, 220.584, 271.011], ['B', ' O ', 221.259, 220.726, 272.131], ['B', ' CB ', 221.866, 218.358, 269.864], ['B', ' CG ', 222.629, 217.072, 269.609], ['B', ' CD ', 221.937, 216.209, 268.572], ['B', ' CE ', 222.922, 215.256, 267.92], ['B', ' NZ ', 224.193, 215.945, 267.564]]
[['B', ' N ', 221.582, 221.491, 270.033], ['B', ' CA ', 220.766, 222.695, 270.257], ['B', ' C ', 219.438, 222.454, 270.959], ['B', ' O ', 218.561, 221.757, 270.44], ['B', ' CB ', 220.534, 223.221, 268.836], ['B', ' CG ', 221.682, 222.691, 268.024], ['B', ' CD ', 222.364, 221.587, 268.788]]
[['B', ' N ', 219.296, 223.044, 272.147], ['B', ' CA ', 218.045, 223.037, 272.905], ['B', ' C ', 217.549, 221.619, 273.178], ['B', ' O ', 216.35, 221.341, 273.127], ['B', ' CB ', 216.968, 223.853, 272.191], ['B', ' CG ', 217.36, 225.275, 271.924], ['B', ' CD1', 217.443, 226.188, 272.957], ['B', ' CD2', 217.632, 225.7, 270.64], ['B', ' CE1', 217.795, 227.494, 272.715], ['B', ' CE2', 217.985, 227.005, 270.394], ['B', ' CZ ', 218.067, 227.903, 271.433]]
[['B', ' N ', 218.473, 220.714, 273.476], ['B', ' CA ', 218.105, 219.356, 273.837], ['B', ' C ', 218.053, 219.207, 275.351], ['B', ' O ', 218.915, 219.709, 276.076], ['B', ' CB ', 219.088, 218.346, 273.246], ['B', ' CG ', 218.615, 216.897, 273.3], ['B', ' CD ', 217.223, 216.698, 272.727], ['B', ' OE1', 217.119, 216.293, 271.551], ['B', ' OE2', 216.233, 216.919, 273.455]]
[['B', ' N ', 217.024, 218.509, 275.823], ['B', ' CA ', 216.796, 218.304, 277.248], ['B', ' C ', 216.823, 216.814, 277.543], ['B', ' O ', 216.122, 216.038, 276.886], ['B', ' CB ', 215.46, 218.906, 277.686], ['B', ' CG ', 215.221, 218.847, 279.181], ['B', ' CD ', 214.163, 219.844, 279.599], ['B', ' NE ', 213.974, 219.861, 281.046], ['B', ' CZ ', 212.894, 219.393, 281.663], ['B', ' NH1', 211.899, 218.873, 280.959], ['B', ' NH2', 212.807, 219.45, 282.984]]
[['B', ' N ', 217.625, 216.417, 278.525], ['B', ' CA ', 217.694, 215.033, 278.971], ['B', ' C ', 217.556, 214.987, 280.485], ['B', ' O ', 218.263, 215.705, 281.199], ['B', ' CB ', 219.005, 214.375, 278.538], ['B', ' CG ', 219.255, 213.06, 279.247], ['B', ' OD1', 218.405, 212.151, 279.134], ['B', ' OD2', 220.299, 212.935, 279.92]]
[['B', ' N ', 216.649, 214.142, 280.966], ['B', ' CA ', 216.404, 213.972, 282.391], ['B', ' C ', 216.74, 212.546, 282.833], ['B', ' O ', 216.757, 212.243, 284.021], ['B', ' CB ', 214.951, 214.354, 282.74], ['B', ' CG1', 214.637, 215.753, 282.215], ['B', ' CG2', 214.718, 214.368, 284.244], ['B', ' CD1', 215.505, 216.837, 282.811]]
[['B', ' N ', 217.062, 211.674, 281.877], ['B', ' CA ', 217.295, 210.259, 282.163], ['B', ' C ', 218.628, 210.117, 282.893], ['B', ' O ', 219.662, 209.768, 282.32], ['B', ' CB ', 217.265, 209.442, 280.878], ['B', ' OG ', 218.202, 209.936, 279.937]]
[['B', ' N ', 218.59, 210.395, 284.191], ['B', ' CA ', 219.742, 210.264, 285.07], ['B', ' C ', 219.601, 209.002, 285.914], ['B', ' O ', 218.64, 208.24, 285.777], ['B', ' CB ', 219.894, 211.502, 285.955], ['B', ' CG2', 219.884, 212.767, 285.11], ['B', ' OG1', 218.817, 211.553, 286.898]]
[['B', ' N ', 220.609, 208.771, 286.761], ['B', ' CA ', 220.706, 207.657, 287.707], ['B', ' C ', 220.482, 206.299, 287.044], ['B', ' O ', 220.272, 205.295, 287.731], ['B', ' CB ', 219.745, 207.841, 288.896], ['B', ' CG ', 218.264, 207.586, 288.64], ['B', ' CD ', 217.449, 208.864, 288.593], ['B', ' OE1', 216.232, 208.804, 288.869], ['B', ' OE2', 218.024, 209.93, 288.288]]
[['B', ' N ', 220.538, 206.253, 285.714], ['B', ' CA ', 220.453, 204.991, 284.983], ['B', ' C ', 221.572, 204.81, 283.972], ['B', ' O ', 221.831, 203.671, 283.542], ['B', ' CB ', 219.079, 204.853, 284.288], ['B', ' CG1', 218.912, 205.931, 283.215], ['B', ' CG2', 217.95, 204.914, 285.305], ['B', ' CD1', 217.815, 205.631, 282.215]]
[['B', ' N ', 222.258, 205.868, 283.556], ['B', ' CA ', 223.407, 205.751, 282.674], ['B', ' C ', 224.692, 205.702, 283.492], ['B', ' O ', 224.719, 206.073, 284.669], ['B', ' CB ', 223.442, 206.91, 281.675], ['B', ' CG ', 223.727, 208.266, 282.283], ['B', ' CD1', 222.724, 208.985, 282.921], ['B', ' CD2', 224.99, 208.838, 282.199], ['B', ' CE1', 222.973, 210.224, 283.472], ['B', ' CE2', 225.248, 210.081, 282.746], ['B', ' CZ ', 224.235, 210.769, 283.382], ['B', ' OH ', 224.484, 212.006, 283.929]]
[['B', ' N ', 225.76, 205.233, 282.854], ['B', ' CA ', 226.985, 204.915, 283.573], ['B', ' C ', 227.63, 206.162, 284.167], ['B', ' O ', 227.675, 207.223, 283.539], ['B', ' CB ', 227.975, 204.208, 282.645], ['B', ' CG ', 228.29, 204.964, 281.362], ['B', ' CD ', 229.521, 205.843, 281.487], ['B', ' NE2', 229.485, 207.007, 280.852], ['B', ' OE1', 230.491, 205.479, 282.15]]
[['B', ' N ', 228.112, 206.026, 285.404], ['B', ' CA ', 229.028, 206.98, 286.03], ['B', ' C ', 230.164, 206.146, 286.622], ['B', ' O ', 230.151, 205.801, 287.806], ['B', ' CB ', 228.323, 207.83, 287.081]]
[['B', ' N ', 231.151, 205.826, 285.788], ['B', ' CA ', 232.236, 204.946, 286.155], ['B', ' C ', 232.366, 203.823, 285.149], ['B', ' O ', 231.913, 203.93, 284.005]]
[['B', ' N ', 232.992, 202.731, 285.582], ['B', ' CA ', 233.238, 201.574, 284.724], ['B', ' C ', 232.873, 200.29, 285.462], ['B', ' O ', 233.637, 199.324, 285.496], ['B', ' CB ', 234.691, 201.544, 284.254], ['B', ' OG ', 235.568, 201.247, 285.326]]
[['B', ' N ', 231.693, 200.269, 286.065], ['B', ' CA ', 231.245, 199.161, 286.892], ['B', ' C ', 229.863, 198.694, 286.466], ['B', ' O ', 229.094, 199.455, 285.871], ['B', ' CB ', 231.218, 199.56, 288.376], ['B', ' CG2', 232.625, 199.82, 288.881], ['B', ' OG1', 230.421, 200.74, 288.544]]
[['B', ' N ', 229.518, 197.433, 286.76], ['B', ' CA ', 228.155, 196.945, 286.494], ['B', ' C ', 227.151, 197.432, 287.529], ['B', ' O ', 226.062, 196.864, 287.661], ['B', ' CB ', 228.303, 195.417, 286.542], ['B', ' CG ', 229.77, 195.14, 286.507], ['B', ' CD ', 230.451, 196.339, 287.074]]
[['B', ' N ', 227.526, 198.476, 288.27], ['B', ' CA ', 226.791, 199.003, 289.415], ['B', ' C ', 225.282, 199.054, 289.221], ['B', ' O ', 224.54, 198.353, 289.916], ['B', ' CB ', 227.314, 200.41, 289.703], ['B', ' SG ', 226.338, 201.399, 290.823]]
[['B', ' N ', 224.829, 199.902, 288.302], ['B', ' CA ', 223.48, 199.893, 287.742], ['B', ' C ', 222.383, 200.328, 288.716], ['B', ' O ', 221.289, 200.696, 288.278], ['B', ' CB ', 223.166, 198.486, 287.216], ['B', ' CG ', 221.969, 198.45, 286.287], ['B', ' ND2', 221.577, 197.247, 285.884], ['B', ' OD1', 221.396, 199.482, 285.942]]
[['B', ' N ', 222.642, 200.33, 290.025], ['B', ' CA ', 221.636, 200.878, 290.917], ['B', ' C ', 222.043, 201.491, 292.244], ['B', ' O ', 221.192, 202.079, 292.92]]
[['B', ' N ', 223.317, 201.402, 292.631], ['B', ' CA ', 223.73, 201.792, 293.98], ['B', ' C ', 225.146, 202.357, 293.984], ['B', ' O ', 226.113, 201.649, 293.685], ['B', ' CB ', 223.611, 200.615, 294.975], ['B', ' CG1', 222.156, 200.264, 295.252], ['B', ' CG2', 224.322, 199.377, 294.439]]
[['B', ' N ', 225.282, 203.627, 294.365], ['B', ' CA ', 226.588, 204.274, 294.365], ['B', ' C ', 227.561, 203.522, 295.267], ['B', ' O ', 227.227, 203.155, 296.397], ['B', ' CB ', 226.458, 205.731, 294.814], ['B', ' CG ', 225.848, 205.92, 296.196], ['B', ' CD ', 224.337, 206.015, 296.162], ['B', ' OE1', 223.745, 205.705, 295.107], ['B', ' OE2', 223.741, 206.396, 297.191]]
[['B', ' N ', 228.763, 203.277, 294.753], ['B', ' CA ', 229.768, 202.54, 295.493], ['B', ' C ', 231.113, 203.235, 295.514], ['B', ' O ', 231.186, 204.46, 295.376]]
[['B', ' N ', 232.188, 202.464, 295.692], ['B', ' CA ', 233.522, 203.055, 295.693], ['B', ' C ', 233.907, 203.532, 294.298], ['B', ' O ', 234.414, 204.648, 294.129], ['B', ' CB ', 234.545, 202.049, 296.222], ['B', ' CG ', 235.971, 202.471, 296.013], ['B', ' CD1', 236.461, 203.617, 296.617], ['B', ' CD2', 236.82, 201.725, 295.214], ['B', ' CE1', 237.772, 204.012, 296.429], ['B', ' CE2', 238.133, 202.115, 295.022], ['B', ' CZ ', 238.609, 203.26, 295.63]]
[['B', ' N ', 233.674, 202.7, 293.284], ['B', ' CA ', 233.908, 203.091, 291.9], ['B', ' C ', 232.644, 203.652, 291.257], ['B', ' O ', 232.708, 204.62, 290.494], ['B', ' CB ', 234.434, 201.899, 291.097], ['B', ' CG ', 235.939, 201.752, 291.191], ['B', ' ND2', 236.417, 200.515, 291.135], ['B', ' OD1', 236.664, 202.739, 291.311]]
[['B', ' N ', 231.491, 203.051, 291.552], ['B', ' CA ', 230.206, 203.586, 291.12], ['B', ' C ', 229.921, 204.884, 291.865], ['B', ' O ', 229.584, 204.86, 293.053], ['B', ' CB ', 229.097, 202.556, 291.361], ['B', ' SG ', 227.411, 203.116, 291.013]]
[['B', ' N ', 230.048, 206.022, 291.18], ['B', ' CA ', 229.957, 207.314, 291.852], ['B', ' C ', 228.89, 208.21, 291.231], ['B', ' O ', 228.091, 207.758, 290.404], ['B', ' CB ', 231.32, 208.016, 291.849], ['B', ' CG ', 231.818, 208.447, 290.486], ['B', ' CD1', 232.459, 207.548, 289.644], ['B', ' CD2', 231.672, 209.758, 290.053], ['B', ' CE1', 232.922, 207.936, 288.404], ['B', ' CE2', 232.134, 210.156, 288.814], ['B', ' CZ ', 232.758, 209.241, 287.993], ['B', ' OH ', 233.22, 209.632, 286.758]]
[['B', ' N ', 228.873, 209.476, 291.634], ['B', ' CA ', 227.772, 210.381, 291.326], ['B', ' C ', 227.665, 210.655, 289.83], ['B', ' O ', 228.642, 211.115, 289.22], ['B', ' CB ', 227.96, 211.694, 292.079], ['B', ' CG ', 228.278, 211.519, 293.535], ['B', ' CD1', 227.264, 211.361, 294.465], ['B', ' CD2', 229.591, 211.515, 293.976], ['B', ' CE1', 227.553, 211.201, 295.806], ['B', ' CE2', 229.886, 211.354, 295.315], ['B', ' CZ ', 228.866, 211.197, 296.231]]
[['B', ' N ', 226.514, 210.389, 289.204], ['B', ' CA ', 226.335, 210.823, 287.808], ['B', ' C ', 226.252, 212.33, 287.66], ['B', ' O ', 226.529, 212.855, 286.574], ['B', ' CB ', 225.024, 210.138, 287.393], ['B', ' CG ', 224.789, 209.066, 288.419], ['B', ' CD ', 225.376, 209.592, 289.686]]
[['B', ' N ', 225.868, 213.043, 288.718], ['B', ' CA ', 225.692, 214.488, 288.68], ['B', ' C ', 226.223, 215.103, 289.969], ['B', ' O ', 226.494, 214.406, 290.95], ['B', ' CB ', 224.22, 214.877, 288.488], ['B', ' CG ', 223.308, 214.788, 289.714], ['B', ' CD1', 222.021, 215.553, 289.46], ['B', ' CD2', 223.006, 213.346, 290.097]]
[['B', ' N ', 226.363, 216.428, 289.958], ['B', ' CA ', 226.943, 217.166, 291.07], ['B', ' C ', 226.043, 218.338, 291.44], ['B', ' O ', 225.19, 218.763, 290.659], ['B', ' CB ', 228.352, 217.667, 290.726], ['B', ' CG ', 229.279, 217.794, 291.918], ['B', ' CD ', 229.348, 219.21, 292.446], ['B', ' NE2', 229.621, 219.348, 293.737], ['B', ' OE1', 229.156, 220.171, 291.703]]
[['B', ' N ', 226.243, 218.855, 292.653], ['B', ' CA ', 225.451, 219.959, 293.176], ['B', ' C ', 226.366, 220.983, 293.834], ['B', ' O ', 227.468, 220.657, 294.28], ['B', ' CB ', 224.404, 219.472, 294.183], ['B', ' OG ', 225.026, 218.893, 295.316]]
[['B', ' N ', 225.891, 222.229, 293.897], ['B', ' CA ', 226.715, 223.321, 294.407], ['B', ' C ', 226.707, 223.38, 295.932], ['B', ' O ', 227.749, 223.213, 296.575], ['B', ' CB ', 226.24, 224.654, 293.826], ['B', ' CG ', 226.489, 224.806, 292.345], ['B', ' CD1', 227.753, 225.119, 291.866], ['B', ' CD2', 225.462, 224.643, 291.427], ['B', ' CE1', 227.989, 225.262, 290.514], ['B', ' CE2', 225.687, 224.785, 290.074], ['B', ' CZ ', 226.953, 225.094, 289.623], ['B', ' OH ', 227.185, 225.235, 288.275]]
[['B', ' N ', 225.54, 223.616, 296.528], ['B', ' CA ', 225.47, 223.852, 297.958], ['B', ' C ', 225.893, 225.26, 298.327], ['B', ' O ', 226.905, 225.456, 299.006]]
[['B', ' N ', 225.12, 226.247, 297.879], ['B', ' CA ', 225.53, 227.644, 297.968], ['B', ' C ', 225.612, 228.124, 299.413], ['B', ' O ', 224.712, 227.871, 300.22], ['B', ' CB ', 224.557, 228.518, 297.179], ['B', ' CG ', 224.462, 228.165, 295.723], ['B', ' CD1', 225.508, 228.442, 294.861], ['B', ' CD2', 223.325, 227.559, 295.215], ['B', ' CE1', 225.423, 228.121, 293.52], ['B', ' CE2', 223.235, 227.235, 293.876], ['B', ' CZ ', 224.283, 227.516, 293.027]]
[['B', ' N ', 226.702, 228.821, 299.726], ['B', ' CA ', 226.94, 229.639, 300.904], ['B', ' C ', 226.793, 231.112, 300.544], ['B', ' O ', 226.9, 231.486, 299.373], ['B', ' CB ', 228.335, 229.361, 301.462], ['B', ' CG ', 228.434, 228.087, 302.287], ['B', ' CD ', 229.034, 226.931, 301.516], ['B', ' NE2', 228.713, 225.712, 301.932], ['B', ' OE1', 229.781, 227.129, 300.56]]
[['B', ' N ', 226.535, 231.985, 301.528], ['B', ' CA ', 226.224, 233.386, 301.203], ['B', ' C ', 227.33, 234.148, 300.486], ['B', ' O ', 227.098, 234.692, 299.402], ['B', ' CB ', 225.939, 234.008, 302.578], ['B', ' CG ', 226.559, 233.074, 303.566], ['B', ' CD ', 226.39, 231.719, 302.968]]
[['B', ' N ', 228.529, 234.207, 301.066], ['B', ' CA ', 229.538, 235.136, 300.563], ['B', ' C ', 230.304, 234.571, 299.368], ['B', ' O ', 230.244, 235.125, 298.265], ['B', ' CB ', 230.505, 235.513, 301.687], ['B', ' CG2', 229.805, 236.391, 302.712], ['B', ' OG1', 230.981, 234.323, 302.329]]
[['B', ' N ', 231.054, 233.486, 299.581], ['B', ' CA ', 231.884, 232.861, 298.551], ['B', ' C ', 232.957, 233.785, 297.983], ['B', ' O ', 233.679, 233.398, 297.059], ['B', ' CB ', 231.034, 232.337, 297.393], ['B', ' CG ', 230.554, 230.921, 297.558], ['B', ' CD1', 231.455, 229.88, 297.724], ['B', ' CD2', 229.206, 230.615, 297.493], ['B', ' CE1', 231.022, 228.579, 297.859], ['B', ' CE2', 228.765, 229.321, 297.619], ['B', ' CZ ', 229.674, 228.305, 297.805], ['B', ' OH ', 229.232, 227.01, 297.935]]
[['B', ' N ', 233.076, 235.002, 298.515], ['B', ' CA ', 233.969, 236.006, 297.971], ['B', ' C ', 233.188, 237.201, 297.444], ['B', ' O ', 232.188, 237.616, 298.041]]
[['B', ' N ', 233.648, 237.745, 296.318], ['B', ' CA ', 233.006, 238.894, 295.682], ['B', ' C ', 232.171, 238.472, 294.468], ['B', ' O ', 230.946, 238.606, 294.476], ['B', ' CB ', 234.039, 239.986, 295.319], ['B', ' CG1', 234.588, 240.613, 296.587], ['B', ' CG2', 235.206, 239.411, 294.526]]
[['B', ' N ', 232.811, 237.961, 293.418], ['B', ' CA ', 232.042, 237.345, 292.357], ['B', ' C ', 232.083, 235.833, 292.391], ['B', ' O ', 232.988, 235.218, 291.818]]
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[['B', ' N ', 228.511, 234.406, 293.186], ['B', ' CA ', 227.133, 234.129, 293.541], ['B', ' C ', 226.375, 233.536, 292.355], ['B', ' O ', 226.713, 233.796, 291.198], ['B', ' CB ', 226.45, 235.41, 294.002], ['B', ' CG ', 227.133, 236.084, 295.178], ['B', ' CD ', 227.064, 237.597, 295.102], ['B', ' NE2', 227.92, 238.187, 294.277], ['B', ' OE1', 226.253, 238.228, 295.779]]
[['B', ' N ', 225.349, 232.731, 292.617], ['B', ' CA ', 224.478, 232.28, 291.528], ['B', ' C ', 223.731, 233.452, 290.913], ['B', ' O ', 223.406, 234.436, 291.582], ['B', ' CB ', 223.521, 231.302, 292.217], ['B', ' CG ', 223.527, 231.719, 293.65], ['B', ' CD ', 224.924, 232.194, 293.921]]
[['B', ' N ', 223.461, 233.336, 289.617], ['B', ' CA ', 222.834, 234.4, 288.849], ['B', ' C ', 221.629, 233.853, 288.1], ['B', ' O ', 221.68, 232.749, 287.55], ['B', ' CB ', 223.824, 235.014, 287.854], ['B', ' CG ', 224.588, 236.209, 288.378], ['B', ' CD1', 225.383, 236.111, 289.51], ['B', ' CD2', 224.537, 237.428, 287.72], ['B', ' CE1', 226.09, 237.198, 289.98], ['B', ' CE2', 225.241, 238.52, 288.183], ['B', ' CZ ', 226.014, 238.401, 289.313], ['B', ' OH ', 226.714, 239.491, 289.774]]
[['B', ' N ', 220.548, 234.628, 288.08], ['B', ' CA ', 219.374, 234.29, 287.286], ['B', ' C ', 219.561, 234.855, 285.883], ['B', ' O ', 219.73, 236.068, 285.715], ['B', ' CB ', 218.098, 234.83, 287.93], ['B', ' CG ', 217.582, 233.968, 289.073], ['B', ' CD ', 216.122, 234.242, 289.388], ['B', ' NE ', 215.727, 233.683, 290.679], ['B', ' CZ ', 214.58, 233.051, 290.904], ['B', ' NH1', 213.705, 232.887, 289.922], ['B', ' NH2', 214.307, 232.578, 292.112]]
[['B', ' N ', 219.539, 233.975, 284.884], ['B', ' CA ', 219.819, 234.328, 283.498], ['B', ' C ', 218.641, 233.892, 282.645], ['B', ' O ', 218.159, 232.762, 282.778], ['B', ' CB ', 221.117, 233.67, 282.998], ['B', ' CG1', 221.361, 234.015, 281.55], ['B', ' CG2', 222.291, 234.101, 283.853]]
[['B', ' N ', 218.181, 234.783, 281.772], ['B', ' CA ', 217.107, 234.491, 280.832], ['B', ' C ', 217.634, 234.692, 279.42], ['B', ' O ', 218.309, 235.689, 279.138], ['B', ' CB ', 215.871, 235.367, 281.09], ['B', ' CG1', 216.24, 236.829, 281.033], ['B', ' CG2', 214.799, 235.062, 280.07]]
[['B', ' N ', 217.35, 233.735, 278.544], ['B', ' CA ', 217.774, 233.783, 277.151], ['B', ' C ', 216.554, 233.604, 276.257], ['B', ' O ', 215.761, 232.676, 276.451], ['B', ' CB ', 218.867, 232.739, 276.857], ['B', ' CG1', 218.349, 231.34, 277.031], ['B', ' CG2', 219.378, 232.913, 275.441]]
[['B', ' N ', 216.392, 234.514, 275.303], ['B', ' CA ', 215.25, 234.525, 274.401], ['B', ' C ', 215.734, 234.331, 272.973], ['B', ' O ', 216.63, 235.048, 272.516], ['B', ' CB ', 214.478, 235.839, 274.515], ['B', ' CG ', 214.227, 236.372, 275.922], ['B', ' CD1', 213.622, 237.761, 275.858], ['B', ' CD2', 213.323, 235.427, 276.685]]
[['B', ' N ', 215.146, 233.367, 272.273], ['B', ' CA ', 215.46, 233.109, 270.875], ['B', ' C ', 214.272, 233.518, 270.022], ['B', ' O ', 213.258, 232.814, 269.989], ['B', ' CB ', 215.794, 231.637, 270.64], ['B', ' OG ', 217.084, 231.31, 271.115]]
[['B', ' N ', 214.395, 234.646, 269.333], ['B', ' CA ', 213.4, 235.042, 268.352], ['B', ' C ', 213.555, 234.148, 267.133], ['B', ' O ', 214.674, 233.925, 266.662], ['B', ' CB ', 213.564, 236.508, 267.956], ['B', ' CG ', 213.543, 237.459, 269.117], ['B', ' CD1', 212.355, 237.802, 269.73], ['B', ' CD2', 214.713, 238.027, 269.581], ['B', ' CE1', 212.339, 238.683, 270.792], ['B', ' CE2', 214.701, 238.906, 270.64], ['B', ' CZ ', 213.514, 239.234, 271.245]]
[['B', ' N ', 212.441, 233.623, 266.635], ['B', ' CA ', 212.47, 232.788, 265.436], ['B', ' C ', 212.105, 233.682, 264.261], ['B', ' O ', 210.934, 233.92, 263.968], ['B', ' CB ', 211.538, 231.593, 265.581], ['B', ' CG ', 211.99, 230.606, 266.659], ['B', ' CD ', 211.62, 229.168, 266.349], ['B', ' OE1', 210.418, 228.836, 266.381], ['B', ' OE2', 212.537, 228.367, 266.076]]
[['B', ' N ', 213.134, 234.187, 263.585], ['B', ' CA ', 212.964, 235.23, 262.582], ['B', ' C ', 212.626, 234.619, 261.23], ['B', ' O ', 213.431, 233.877, 260.658], ['B', ' CB ', 214.231, 236.07, 262.479], ['B', ' CG ', 214.031, 237.317, 261.625], ['B', ' CD1', 212.866, 238.138, 262.15], ['B', ' CD2', 215.296, 238.137, 261.575]]
[['B', ' N ', 211.45, 234.951, 260.705], ['B', ' CA ', 211.003, 234.422, 259.426], ['B', ' C ', 210.16, 235.481, 258.725], ['B', ' O ', 210.153, 236.654, 259.111], ['B', ' CB ', 210.219, 233.117, 259.615], ['B', ' CG ', 210.963, 231.873, 260.09], ['B', ' CD1', 209.984, 230.743, 260.359], ['B', ' CD2', 211.996, 231.456, 259.058]]
[['B', ' N ', 209.452, 235.056, 257.677], ['B', ' CA ', 208.493, 235.893, 256.978], ['B', ' C ', 207.07, 235.361, 257.044], ['B', ' O ', 206.152, 236.046, 256.581], ['B', ' CB ', 208.9, 236.064, 255.506], ['B', ' CG ', 209.064, 234.773, 254.765], ['B', ' CD2', 210.172, 234.067, 254.437], ['B', ' ND1', 207.998, 234.07, 254.246], ['B', ' CE1', 208.44, 232.983, 253.64], ['B', ' NE2', 209.757, 232.958, 253.741]]
[['B', ' N ', 206.858, 234.179, 257.617], ['B', ' CA ', 205.524, 233.629, 257.773], ['B', ' C ', 204.709, 234.504, 258.725], ['B', ' O ', 205.275, 235.284, 259.494], ['B', ' CB ', 205.608, 232.196, 258.295]]
[['B', ' N ', 203.361, 234.412, 258.667], ['B', ' CA ', 202.517, 235.298, 259.483], ['B', ' C ', 202.97, 235.441, 260.924], ['B', ' O ', 202.948, 234.481, 261.698], ['B', ' CB ', 201.141, 234.626, 259.414], ['B', ' CG ', 201.14, 233.877, 258.135], ['B', ' CD ', 202.564, 233.639, 257.7]]
[['B', ' N ', 203.373, 236.649, 261.289], ['B', ' CA ', 203.846, 236.944, 262.628], ['B', ' C ', 202.707, 237.467, 263.495], ['B', ' O ', 201.688, 237.951, 263.0], ['B', ' CB ', 204.981, 237.963, 262.579]]
[['B', ' N ', 202.893, 237.359, 264.809], ['B', ' CA ', 201.889, 237.84, 265.749], ['B', ' C ', 202.465, 238.876, 266.702], ['B', ' O ', 201.81, 239.878, 267.002], ['B', ' CB ', 201.299, 236.684, 266.56], ['B', ' CG2', 201.046, 235.474, 265.673], ['B', ' OG1', 202.207, 236.327, 267.61]]
[['B', ' N ', 203.687, 238.648, 267.18], ['B', ' CA ', 204.271, 239.47, 268.243], ['B', ' C ', 204.863, 240.706, 267.574], ['B', ' O ', 206.027, 240.732, 267.182], ['B', ' CB ', 205.303, 238.699, 269.059], ['B', ' CG1', 205.826, 239.56, 270.193], ['B', ' CG2', 204.694, 237.418, 269.596]]
[['B', ' N ', 204.046, 241.748, 267.45], ['B', ' CA ', 204.435, 242.987, 266.797], ['B', ' C ', 204.676, 244.083, 267.827], ['B', ' O ', 204.128, 244.064, 268.93], ['B', ' CB ', 203.368, 243.441, 265.795], ['B', ' SG ', 203.255, 242.477, 264.258]]
[['B', ' N ', 205.494, 245.055, 267.436], ['B', ' CA ', 205.935, 246.096, 268.332], ['B', ' C ', 204.836, 247.062, 268.717], ['B', ' O ', 203.795, 247.149, 268.061]]
[['B', ' N ', 205.049, 247.808, 269.799], ['B', ' CA ', 204.0, 248.708, 270.291], ['B', ' C ', 204.005, 250.056, 269.595], ['B', ' O ', 204.318, 251.072, 270.221], ['B', ' CB ', 204.341, 248.864, 271.776], ['B', ' CG ', 205.804, 248.647, 271.833], ['B', ' CD ', 206.124, 247.625, 270.786]]
[['B', ' N ', 203.671, 250.084, 268.308], ['B', ' CA ', 203.528, 251.335, 267.577], ['B', ' C ', 202.197, 251.34, 266.846], ['B', ' O ', 201.786, 250.325, 266.277], ['B', ' CB ', 204.683, 251.551, 266.591], ['B', ' CG ', 206.007, 251.852, 267.277], ['B', ' CD ', 207.059, 252.321, 266.293], ['B', ' CE ', 208.326, 252.755, 267.015], ['B', ' NZ ', 209.081, 251.599, 267.575]]
[['B', ' N ', 201.525, 252.485, 266.871], ['B', ' CA ', 200.219, 252.6, 266.249], ['B', ' C ', 200.343, 252.555, 264.728], ['B', ' O ', 201.421, 252.734, 264.158], ['B', ' CB ', 199.528, 253.89, 266.69], ['B', ' CG ', 200.232, 255.157, 266.237], ['B', ' CD ', 199.516, 256.396, 266.74], ['B', ' CE ', 200.211, 257.661, 266.272], ['B', ' NZ ', 199.519, 258.882, 266.761]]
[['B', ' N ', 199.215, 252.304, 264.075], ['B', ' CA ', 199.17, 252.167, 262.63], ['B', ' C ', 198.723, 253.468, 261.97], ['B', ' O ', 198.139, 254.35, 262.604], ['B', ' CB ', 198.227, 251.031, 262.236], ['B', ' OG ', 198.409, 250.659, 260.883]]
[['B', ' N ', 199.017, 253.579, 260.678], ['B', ' CA ', 198.517, 254.645, 259.822], ['B', ' C ', 197.472, 254.077, 258.869], ['B', ' O ', 197.155, 252.886, 258.894], ['B', ' CB ', 199.656, 255.306, 259.042], ['B', ' CG2', 200.64, 255.963, 259.985], ['B', ' OG1', 200.335, 254.32, 258.257]]
[['B', ' N ', 196.932, 254.945, 258.022], ['B', ' CA ', 195.994, 254.52, 256.998], ['B', ' C ', 196.78, 254.168, 255.738], ['B', ' O ', 198.006, 254.058, 255.766], ['B', ' CB ', 194.944, 255.599, 256.761], ['B', ' CG ', 193.643, 255.032, 256.247], ['B', ' ND2', 192.571, 255.806, 256.359], ['B', ' OD1', 193.598, 253.9, 255.768]]
[['B', ' N ', 196.093, 253.98, 254.62], ['B', ' CA ', 196.738, 253.593, 253.374], ['B', ' C ', 196.363, 254.561, 252.261], ['B', ' O ', 195.236, 255.063, 252.213], ['B', ' CB ', 196.358, 252.159, 252.988], ['B', ' CG ', 197.076, 251.513, 251.804], ['B', ' CD1', 197.183, 250.024, 252.016], ['B', ' CD2', 196.325, 251.774, 250.528]]
[['B', ' N ', 197.316, 254.823, 251.369], ['B', ' CA ', 197.091, 255.633, 250.177], ['B', ' C ', 197.505, 254.823, 248.956], ['B', ' O ', 198.62, 254.293, 248.9], ['B', ' CB ', 197.856, 256.966, 250.24], ['B', ' CG1', 197.188, 257.897, 251.23], ['B', ' CG2', 199.296, 256.73, 250.634]]
[['B', ' N ', 196.606, 254.725, 247.982], ['B', ' CA ', 196.866, 253.953, 246.782], ['B', ' C ', 197.432, 254.852, 245.688], ['B', ' O ', 197.558, 256.065, 245.85], ['B', ' CB ', 195.592, 253.258, 246.312], ['B', ' CG ', 194.982, 252.339, 247.35], ['B', ' CD ', 194.088, 251.289, 246.725], ['B', ' CE ', 192.863, 251.04, 247.587], ['B', ' NZ ', 193.222, 250.394, 248.879]]
[['B', ' N ', 197.815, 254.227, 244.573], ['B', ' CA ', 198.203, 254.888, 243.32], ['B', ' C ', 199.263, 255.977, 243.51], ['B', ' O ', 199.423, 256.85, 242.652], ['B', ' CB ', 196.969, 255.431, 242.576], ['B', ' CG ', 196.278, 256.587, 243.297], ['B', ' ND2', 194.961, 256.485, 243.431], ['B', ' OD1', 196.912, 257.548, 243.729]]
[['B', ' N ', 200.009, 255.941, 244.612], ['B', ' CA ', 201.086, 256.89, 244.845], ['B', ' C ', 202.255, 256.172, 245.499], ['B', ' O ', 202.061, 255.347, 246.394], ['B', ' CB ', 200.628, 258.06, 245.723], ['B', ' CG ', 199.712, 259.038, 245.01], ['B', ' CD ', 198.962, 259.916, 245.989], ['B', ' CE ', 199.923, 260.642, 246.908], ['B', ' NZ ', 199.208, 261.406, 247.965]]
[['B', ' N ', 203.466, 256.501, 245.055], ['B', ' CA ', 204.677, 255.83, 245.519], ['B', ' C ', 204.883, 256.095, 247.004], ['B', ' O ', 205.11, 257.239, 247.41], ['B', ' CB ', 205.872, 256.312, 244.706], ['B', ' SG ', 207.474, 255.814, 245.348]]
[['B', ' N ', 204.802, 255.04, 247.82], ['B', ' CA ', 204.975, 255.134, 249.264], ['B', ' C ', 205.905, 254.026, 249.733], ['B', ' O ', 206.173, 253.058, 249.02], ['B', ' CB ', 203.641, 255.045, 250.03], ['B', ' CG1', 202.737, 256.189, 249.652], ['B', ' CG2', 202.968, 253.726, 249.749]]
[['B', ' N ', 206.396, 254.185, 250.958], ['B', ' CA ', 207.259, 253.199, 251.605], ['B', ' C ', 206.438, 252.467, 252.665], ['B', ' O ', 206.441, 252.823, 253.843], ['B', ' CB ', 208.497, 253.872, 252.189], ['B', ' CG ', 208.163, 255.089, 253.028], ['B', ' ND2', 209.191, 255.799, 253.47], ['B', ' OD1', 206.999, 255.392, 253.268]]
[['B', ' N ', 205.737, 251.423, 252.236], ['B', ' CA ', 204.858, 250.693, 253.134], ['B', ' C ', 205.654, 249.92, 254.174], ['B', ' O ', 206.803, 249.535, 253.952], ['B', ' CB ', 203.969, 249.733, 252.345], ['B', ' CG ', 204.715, 248.889, 251.354], ['B', ' CD1', 205.458, 247.801, 251.766], ['B', ' CD2', 204.66, 249.177, 250.007], ['B', ' CE1', 206.14, 247.026, 250.857], ['B', ' CE2', 205.34, 248.403, 249.094], ['B', ' CZ ', 206.08, 247.327, 249.522]]
[['B', ' N ', 205.025, 249.696, 255.328], ['B', ' CA ', 205.537, 248.788, 256.356], ['B', ' C ', 204.381, 247.898, 256.798], ['B', ' O ', 203.65, 248.225, 257.736], ['B', ' CB ', 206.139, 249.534, 257.53], ['B', ' CG ', 206.568, 248.602, 258.64], ['B', ' ND2', 206.76, 249.146, 259.832], ['B', ' OD1', 206.721, 247.404, 258.426]]
[['B', ' N ', 204.228, 246.771, 256.112], ['B', ' CA ', 203.281, 245.732, 256.487], ['B', ' C ', 203.897, 244.894, 257.597], ['B', ' O ', 204.845, 245.342, 258.248], ['B', ' CB ', 202.914, 244.892, 255.272], ['B', ' CG ', 202.023, 245.606, 254.308], ['B', ' CD1', 200.987, 246.39, 254.766], ['B', ' CD2', 202.222, 245.5, 252.949], ['B', ' CE1', 200.165, 247.048, 253.891], ['B', ' CE2', 201.399, 246.157, 252.067], ['B', ' CZ ', 200.371, 246.932, 252.539]]
[['B', ' N ', 203.373, 243.698, 257.851], ['B', ' CA ', 203.909, 242.873, 258.932], ['B', ' C ', 205.302, 242.416, 258.513], ['B', ' O ', 205.524, 241.288, 258.068], ['B', ' CB ', 202.991, 241.696, 259.215], ['B', ' CG ', 201.544, 242.106, 259.299], ['B', ' ND2', 200.962, 241.988, 260.485], ['B', ' OD1', 200.952, 242.523, 258.308]]
[['B', ' N ', 206.262, 243.325, 258.679], ['B', ' CA ', 207.556, 243.222, 258.034], ['B', ' C ', 207.539, 243.983, 256.723], ['B', ' O ', 207.074, 245.126, 256.676]]
[['B', ' N ', 208.046, 243.368, 255.655], ['B', ' CA ', 207.888, 243.881, 254.295], ['B', ' C ', 208.396, 245.319, 254.179], ['B', ' O ', 207.646, 246.253, 253.899], ['B', ' CB ', 206.428, 243.785, 253.846], ['B', ' CG ', 205.928, 242.463, 253.273], ['B', ' CD1', 206.719, 242.082, 252.039], ['B', ' CD2', 206.015, 241.383, 254.32]]
[['B', ' N ', 209.691, 245.486, 254.409], ['B', ' CA ', 210.314, 246.804, 254.326], ['B', ' C ', 210.695, 247.085, 252.873], ['B', ' O ', 211.812, 246.802, 252.432], ['B', ' CB ', 211.485, 246.894, 255.303], ['B', ' CG2', 212.549, 245.815, 255.063], ['B', ' OG1', 212.043, 248.215, 255.288]]
[['B', ' N ', 209.753, 247.657, 252.123], ['B', ' CA ', 209.962, 247.943, 250.715], ['B', ' C ', 209.44, 249.297, 250.286], ['B', ' O ', 209.18, 250.161, 251.126]]
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[['B', ' N ', 216.557, 264.089, 228.098], ['B', ' CA ', 215.896, 262.981, 227.407], ['B', ' C ', 215.643, 261.802, 228.342], ['B', ' O ', 216.053, 260.677, 228.057], ['B', ' CB ', 216.706, 262.52, 226.199]]
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[['B', ' N ', 214.866, 258.6, 230.222], ['B', ' CA ', 214.796, 257.357, 229.446], ['B', ' C ', 213.905, 256.317, 230.123], ['B', ' O ', 214.353, 255.528, 230.949], ['B', ' CB ', 216.191, 256.776, 229.266], ['B', ' CG ', 217.151, 257.04, 228.122], ['B', ' CD1', 218.388, 256.24, 228.439], ['B', ' CD2', 216.571, 256.613, 226.799]]
[['B', ' N ', 212.643, 256.262, 229.719], ['B', ' CA ', 211.801, 255.171, 230.185], ['B', ' C ', 210.684, 254.902, 229.183], ['B', ' O ', 210.445, 255.68, 228.258], ['B', ' CB ', 211.251, 255.456, 231.588], ['B', ' CG ', 210.134, 256.465, 231.668], ['B', ' CD1', 208.822, 256.085, 231.449], ['B', ' CD2', 210.385, 257.784, 232.007], ['B', ' CE1', 207.803, 256.982, 231.531], ['B', ' CE2', 209.366, 258.69, 232.094], ['B', ' CZ ', 208.076, 258.28, 231.853], ['B', ' OH ', 207.038, 259.163, 231.937]]
[['B', ' N ', 209.993, 253.78, 229.385], ['B', ' CA ', 209.014, 253.244, 228.447], ['B', ' C ', 207.617, 253.34, 229.042], ['B', ' O ', 207.431, 253.726, 230.197], ['B', ' CB ', 209.325, 251.782, 228.094], ['B', ' CG ', 208.968, 250.803, 229.207], ['B', ' CD ', 209.388, 249.381, 228.902], ['B', ' NE2', 209.169, 248.485, 229.855], ['B', ' OE1', 209.908, 249.091, 227.826]]
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[['B', ' N ', 203.08, 257.106, 229.548], ['B', ' CA ', 202.883, 258.368, 230.25], ['B', ' C ', 204.196, 259.046, 230.617], ['B', ' O ', 205.088, 258.423, 231.2], ['B', ' CB ', 202.034, 258.158, 231.505], ['B', ' CG ', 200.554, 258.152, 231.2], ['B', ' ND2', 199.975, 256.962, 231.091], ['B', ' OD1', 199.938, 259.207, 231.065]]
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[['B', ' N ', 209.44, 257.078, 222.005], ['B', ' CA ', 209.352, 255.68, 222.386], ['B', ' C ', 210.482, 255.257, 223.304], ['B', ' O ', 210.529, 254.094, 223.708], ['B', ' CB ', 209.34, 254.79, 221.144], ['B', ' CG ', 208.074, 254.91, 220.325], ['B', ' CD ', 207.792, 253.63, 219.575], ['B', ' NE ', 208.08, 252.455, 220.388], ['B', ' CZ ', 208.913, 251.486, 220.024], ['B', ' NH1', 209.545, 251.556, 218.861], ['B', ' NH2', 209.116, 250.449, 220.825]]
[['B', ' N ', 211.392, 256.167, 223.642], ['B', ' CA ', 212.475, 255.858, 224.565], ['B', ' C ', 212.465, 256.781, 225.774], ['B', ' O ', 213.428, 256.793, 226.539], ['B', ' CB ', 213.832, 255.938, 223.868]]
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[['B', ' N ', 212.258, 266.565, 226.791], ['B', ' CA ', 211.879, 267.859, 227.339], ['B', ' C ', 212.749, 268.909, 226.673], ['B', ' O ', 213.942, 269.013, 226.967], ['B', ' CB ', 212.049, 267.91, 228.858], ['B', ' CG1', 211.207, 266.842, 229.543], ['B', ' CG2', 211.652, 269.272, 229.361], ['B', ' CD1', 209.746, 266.996, 229.301]]
[['B', ' N ', 212.16, 269.708, 225.795], ['B', ' CA ', 212.881, 270.832, 225.241], ['B', ' C ', 213.041, 270.797, 223.74], ['B', ' O ', 213.805, 271.581, 223.175]]
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[['B', ' N ', 208.49, 268.531, 214.407], ['B', ' CA ', 208.212, 269.173, 213.131], ['B', ' C ', 207.896, 268.092, 212.108], ['B', ' O ', 208.515, 267.024, 212.108], ['B', ' CB ', 209.392, 270.044, 212.672], ['B', ' CG1', 209.448, 271.296, 213.506], ['B', ' CG2', 210.679, 269.28, 212.812]]
[['B', ' N ', 206.919, 268.37, 211.245], ['B', ' CA ', 206.38, 267.337, 210.365], ['B', ' C ', 207.416, 266.839, 209.365], ['B', ' O ', 207.482, 265.638, 209.08], ['B', ' CB ', 205.15, 267.87, 209.639], ['B', ' CG ', 203.889, 267.711, 210.451], ['B', ' ND2', 203.195, 268.822, 210.69], ['B', ' OD1', 203.545, 266.605, 210.862]]
[['B', ' N ', 208.219, 267.739, 208.81], ['B', ' CA ', 209.173, 267.34, 207.789], ['B', ' C ', 210.272, 266.466, 208.385], ['B', ' O ', 210.495, 266.439, 209.598], ['B', ' CB ', 209.779, 268.568, 207.118], ['B', ' CG ', 208.754, 269.372, 206.353], ['B', ' ND2', 208.196, 268.775, 205.309], ['B', ' OD1', 208.464, 270.516, 206.695]]
[['B', ' N ', 210.961, 265.74, 207.51], ['B', ' CA ', 211.988, 264.792, 207.912], ['B', ' C ', 213.311, 265.121, 207.235], ['B', ' O ', 213.346, 265.549, 206.078], ['B', ' CB ', 211.582, 263.366, 207.561], ['B', ' OG ', 210.303, 263.062, 208.08]]
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[['B', ' N ', 217.706, 263.746, 207.137], ['B', ' CA ', 218.749, 262.838, 207.593], ['B', ' C ', 219.283, 263.34, 208.921], ['B', ' O ', 219.707, 264.492, 209.029], ['B', ' CB ', 219.872, 262.764, 206.566], ['B', ' CG ', 221.095, 262.023, 207.055], ['B', ' CD ', 222.119, 262.943, 207.689], ['B', ' OE1', 222.642, 262.595, 208.768], ['B', ' OE2', 222.396, 264.016, 207.112]]
[['B', ' N ', 219.277, 262.483, 209.935], ['B', ' CA ', 219.343, 263.018, 211.285], ['B', ' C ', 220.776, 263.151, 211.77], ['B', ' O ', 221.679, 262.43, 211.34], ['B', ' CB ', 218.557, 262.178, 212.284], ['B', ' SG ', 219.09, 260.507, 212.637]]
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[['B', ' N ', 221.655, 263.838, 215.413], ['B', ' CA ', 221.894, 263.329, 216.754], ['B', ' C ', 220.961, 262.149, 216.999], ['B', ' O ', 219.74, 262.304, 216.924], ['B', ' CB ', 221.678, 264.405, 217.831], ['B', ' CG1', 222.585, 265.604, 217.579], ['B', ' CG2', 221.932, 263.838, 219.206], ['B', ' CD1', 222.075, 266.88, 218.201]]
[['B', ' N ', 221.473, 260.955, 217.3], ['B', ' CA ', 220.603, 259.783, 217.475], ['B', ' C ', 219.979, 259.762, 218.862], ['B', ' O ', 220.69, 259.76, 219.868], ['B', ' CB ', 221.563, 258.606, 217.28], ['B', ' CG ', 222.791, 259.198, 216.669], ['B', ' CD ', 222.883, 260.561, 217.244]]
[['B', ' N ', 218.649, 259.723, 218.917], ['B', ' CA ', 217.944, 259.553, 220.182], ['B', ' C ', 217.498, 258.106, 220.319], ['B', ' O ', 217.903, 257.411, 221.255], ['B', ' CB ', 216.742, 260.501, 220.3], ['B', ' CG1', 217.199, 261.951, 220.27], ['B', ' CG2', 215.99, 260.232, 221.578], ['B', ' CD1', 216.062, 262.922, 220.372]]
[['B', ' N ', 216.66, 257.641, 219.397], ['B', ' CA ', 216.233, 256.256, 219.423], ['B', ' C ', 214.858, 255.997, 218.843], ['B', ' O ', 213.962, 256.833, 218.962]]
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[['B', ' N ', 215.371, 261.501, 215.913], ['B', ' CA ', 216.683, 262.127, 215.988], ['B', ' C ', 216.486, 263.613, 216.261], ['B', ' O ', 215.356, 264.093, 216.368], ['B', ' CB ', 217.47, 261.905, 214.7], ['B', ' SG ', 218.313, 260.309, 214.501]]
[['B', ' N ', 217.589, 264.355, 216.359], ['B', ' CA ', 217.489, 265.767, 216.702], ['B', ' C ', 218.6, 266.562, 216.034], ['B', ' O ', 219.689, 266.043, 215.783], ['B', ' CB ', 217.546, 265.971, 218.215]]
[['B', ' N ', 218.316, 267.835, 215.765], ['B', ' CA ', 219.284, 268.725, 215.138], ['B', ' C ', 218.903, 270.167, 215.435], ['B', ' O ', 217.794, 270.46, 215.885], ['B', ' CB ', 219.376, 268.493, 213.631], ['B', ' OG ', 220.46, 269.222, 213.08]]
[['B', ' N ', 219.841, 271.068, 215.156], ['B', ' CA ', 219.786, 272.45, 215.61], ['B', ' C ', 219.315, 273.433, 214.543], ['B', ' O ', 219.233, 274.631, 214.824], ['B', ' CB ', 221.172, 272.86, 216.124], ['B', ' CG ', 221.276, 274.259, 216.681], ['B', ' CD1', 220.388, 274.723, 217.638], ['B', ' CD2', 222.269, 275.121, 216.241], ['B', ' CE1', 220.489, 276.005, 218.143], ['B', ' CE2', 222.378, 276.403, 216.738], ['B', ' CZ ', 221.487, 276.84, 217.688], ['B', ' OH ', 221.597, 278.119, 218.182]]
[['B', ' N ', 218.971, 272.971, 213.344], ['B', ' CA ', 218.802, 273.906, 212.242], ['B', ' C ', 217.555, 274.765, 212.447], ['B', ' O ', 216.781, 274.585, 213.391], ['B', ' CB ', 218.747, 273.165, 210.904], ['B', ' CG ', 217.578, 272.209, 210.709], ['B', ' CD ', 216.321, 272.912, 210.218], ['B', ' NE2', 215.161, 272.369, 210.561], ['B', ' OE1', 216.397, 273.922, 209.523]]
[['B', ' N ', 217.375, 275.721, 211.543], ['B', ' CA ', 216.294, 276.694, 211.646], ['B', ' C ', 215.01, 276.185, 211.004], ['B', ' O ', 214.495, 275.131, 211.373], ['B', ' CB ', 216.681, 278.026, 210.985], ['B', ' CG2', 215.587, 279.058, 211.191], ['B', ' OG1', 217.897, 278.512, 211.564]]
[['B', ' N ', 216.042, 282.368, 217.038], ['B', ' CA ', 214.901, 281.462, 217.046], ['B', ' C ', 215.345, 280.016, 216.864], ['B', ' O ', 214.527, 279.098, 216.905], ['B', ' CB ', 213.905, 281.844, 215.951], ['B', ' OG ', 214.452, 281.614, 214.664]]
[['B', ' N ', 216.647, 279.819, 216.66], ['B', ' CA ', 217.19, 278.483, 216.459], ['B', ' C ', 216.969, 277.63, 217.7], ['B', ' O ', 217.594, 277.861, 218.738], ['B', ' CB ', 218.677, 278.554, 216.114], ['B', ' CG ', 218.96, 279.002, 214.69], ['B', ' CD ', 218.758, 280.491, 214.491], ['B', ' NE2', 219.557, 281.294, 215.181], ['B', ' OE1', 217.896, 280.914, 213.723]]
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[['B', ' N ', 215.188, 270.747, 217.646], ['B', ' CA ', 213.969, 270.112, 217.171], ['B', ' C ', 214.172, 268.604, 217.166], ['B', ' O ', 215.293, 268.103, 217.22], ['B', ' CB ', 213.559, 270.604, 215.774], ['B', ' CG1', 214.765, 270.631, 214.843], ['B', ' CG2', 212.945, 271.978, 215.858], ['B', ' CD1', 214.383, 270.641, 213.398]]
[['B', ' N ', 213.058, 267.881, 217.093], ['B', ' CA ', 213.071, 266.426, 217.022], ['B', ' C ', 212.154, 265.995, 215.893], ['B', ' O ', 210.989, 266.399, 215.856], ['B', ' CB ', 212.625, 265.798, 218.344]]
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[['B', ' N ', 211.382, 262.576, 212.778], ['B', ' CA ', 211.53, 261.166, 212.443], ['B', ' C ', 212.349, 261.076, 211.162], ['B', ' O ', 211.966, 261.639, 210.134], ['B', ' CB ', 210.163, 260.484, 212.312], ['B', ' CG2', 209.29, 261.12, 211.234], ['B', ' OG1', 210.335, 259.088, 212.048]]
[['B', ' N ', 213.492, 260.403, 211.231], ['B', ' CA ', 214.478, 260.539, 210.17], ['B', ' C ', 214.04, 259.815, 208.901], ['B', ' O ', 213.369, 258.782, 208.945], ['B', ' CB ', 215.837, 260.026, 210.633], ['B', ' CG ', 215.942, 258.542, 210.806], ['B', ' SD ', 217.681, 258.104, 210.801], ['B', ' CE ', 217.598, 256.333, 210.779]]
[['B', ' N ', 214.427, 260.38, 207.758], ['B', ' CA ', 214.038, 259.881, 206.448], ['B', ' C ', 215.261, 259.349, 205.721], ['B', ' O ', 216.336, 259.949, 205.768], ['B', ' CB ', 213.372, 260.966, 205.61], ['B', ' OG ', 213.142, 260.516, 204.286]]
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[['B', ' N ', 212.503, 256.409, 190.873], ['B', ' CA ', 211.806, 255.4, 190.08], ['B', ' C ', 212.442, 255.389, 188.695], ['B', ' O ', 211.987, 256.09, 187.787], ['B', ' CB ', 210.311, 255.68, 190.016], ['B', ' OG ', 209.767, 255.82, 191.312]]
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[['B', ' N ', 212.97, 254.423, 185.1], ['B', ' CA ', 211.907, 254.046, 184.175], ['B', ' C ', 212.243, 252.681, 183.59], ['B', ' O ', 212.72, 252.546, 182.462], ['B', ' CB ', 211.74, 255.095, 183.083]]
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[['B', ' N ', 211.664, 249.699, 181.645], ['B', ' CA ', 210.832, 249.213, 180.558], ['B', ' C ', 211.418, 247.894, 180.077], ['B', ' O ', 212.523, 247.515, 180.467], ['B', ' CB ', 210.757, 250.24, 179.421], ['B', ' OG ', 209.727, 249.922, 178.505]]
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[['B', ' N ', 212.4, 247.136, 177.051], ['B', ' CA ', 213.534, 247.363, 176.154], ['B', ' C ', 213.978, 248.823, 176.267], ['B', ' O ', 213.52, 249.7, 175.537], ['B', ' CB ', 213.185, 246.987, 174.722], ['B', ' CG ', 212.063, 247.814, 174.167], ['B', ' ND2', 212.02, 247.944, 172.852], ['B', ' OD1', 211.241, 248.335, 174.91]]
[['B', ' N ', 214.885, 249.087, 177.203], ['B', ' CA ', 215.576, 250.372, 177.271], ['B', ' C ', 216.766, 250.225, 178.198], ['B', ' O ', 216.579, 249.995, 179.394], ['B', ' CB ', 214.653, 251.473, 177.767], ['B', ' OG ', 213.668, 251.781, 176.8]]
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[['B', ' N ', 220.521, 251.982, 179.607], ['B', ' CA ', 221.219, 253.248, 179.786], ['B', ' C ', 222.712, 252.98, 179.816], ['B', ' O ', 223.175, 252.147, 180.599], ['B', ' CB ', 220.777, 253.944, 181.069]]
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[['B', ' N ', 226.688, 254.795, 179.767], ['B', ' CA ', 227.36, 256.063, 180.048], ['B', ' C ', 228.044, 256.648, 178.826], ['B', ' O ', 228.418, 255.939, 177.892], ['B', ' CB ', 228.389, 255.68, 181.112], ['B', ' CG ', 227.838, 254.463, 181.72], ['B', ' CD ', 227.208, 253.716, 180.611]]
[['B', ' N ', 228.208, 257.968, 178.847], ['B', ' CA ', 228.941, 258.669, 177.811], ['B', ' C ', 230.305, 259.144, 178.294], ['B', ' O ', 231.262, 259.138, 177.512], ['B', ' CB ', 228.118, 259.859, 177.284], ['B', ' CG1', 226.786, 259.39, 176.728], ['B', ' CG2', 228.863, 260.552, 176.177], ['B', ' CD1', 226.919, 258.453, 175.582]]
[['B', ' N ', 230.421, 259.552, 179.555], ['B', ' CA ', 231.633, 260.111, 180.127], ['B', ' C ', 231.919, 259.391, 181.436], ['B', ' O ', 231.101, 258.613, 181.925], ['B', ' CB ', 231.48, 261.624, 180.341], ['B', ' CG ', 232.774, 262.298, 180.739], ['B', ' ND2', 232.73, 263.615, 180.911], ['B', ' OD1', 233.802, 261.645, 180.891]]
[['B', ' N ', 233.093, 259.64, 182.009], ['B', ' CA ', 233.494, 258.954, 183.227], ['B', ' C ', 234.247, 259.906, 184.137], ['B', ' O ', 234.779, 260.925, 183.699], ['B', ' CB ', 234.366, 257.736, 182.934], ['B', ' CG ', 235.608, 258.044, 182.147], ['B', ' CD1', 235.569, 258.133, 180.77], ['B', ' CD2', 236.818, 258.219, 182.784], ['B', ' CE1', 236.704, 258.401, 180.053], ['B', ' CE2', 237.955, 258.485, 182.066], ['B', ' CZ ', 237.897, 258.577, 180.702]]
[['B', ' N ', 234.282, 259.561, 185.421], ['B', ' CA ', 235.002, 260.333, 186.422], ['B', ' C ', 235.847, 259.405, 187.275], ['B', ' O ', 235.39, 258.335, 187.68], ['B', ' CB ', 234.058, 261.12, 187.332], ['B', ' CG2', 233.061, 261.921, 186.519], ['B', ' OG1', 233.355, 260.213, 188.186]]
[['B', ' N ', 237.069, 259.827, 187.553], ['B', ' CA ', 237.996, 259.09, 188.4], ['B', ' C ', 237.945, 259.686, 189.795], ['B', ' O ', 238.0, 260.908, 189.961], ['B', ' CB ', 239.421, 259.148, 187.827], ['B', ' CG1', 239.443, 258.595, 186.406], ['B', ' CG2', 240.374, 258.388, 188.705], ['B', ' CD1', 239.357, 257.099, 186.33]]
[['B', ' N ', 237.827, 258.831, 190.803], ['B', ' CA ', 237.72, 259.286, 192.178], ['B', ' C ', 238.74, 258.565, 193.041], ['B', ' O ', 238.981, 257.37, 192.877], ['B', ' CB ', 236.324, 259.056, 192.734], ['B', ' OG ', 236.158, 257.705, 193.108]]
[['B', ' N ', 239.326, 259.307, 193.973], ['B', ' CA ', 240.425, 258.819, 194.801], ['B', ' C ', 239.96, 258.961, 196.247], ['B', ' O ', 240.138, 260.009, 196.873], ['B', ' CB ', 241.723, 259.59, 194.557], ['B', ' CG1', 242.809, 259.108, 195.487], ['B', ' CG2', 242.15, 259.47, 193.109]]
[['B', ' N ', 239.36, 257.909, 196.786], ['B', ' CA ', 238.811, 257.946, 198.134], ['B', ' C ', 239.907, 257.63, 199.145], ['B', ' O ', 241.1, 257.687, 198.844], ['B', ' CB ', 237.631, 256.989, 198.26], ['B', ' CG2', 236.472, 257.458, 197.4], ['B', ' OG1', 238.031, 255.68, 197.844]]
[['B', ' N ', 239.511, 257.321, 200.375], ['B', ' CA ', 240.46, 257.089, 201.45], ['B', ' C ', 239.865, 256.077, 202.415], ['B', ' O ', 238.654, 256.057, 202.64], ['B', ' CB ', 240.783, 258.395, 202.182], ['B', ' CG2', 241.889, 258.196, 203.174], ['B', ' OG1', 241.203, 259.376, 201.233]]
[['B', ' N ', 240.72, 255.231, 202.974], ['B', ' CA ', 240.313, 254.32, 204.03], ['B', ' C ', 241.376, 254.312, 205.11], ['B', ' O ', 242.571, 254.32, 204.812], ['B', ' CB ', 240.096, 252.901, 203.511], ['B', ' CG ', 239.032, 252.146, 204.273], ['B', ' CD ', 239.066, 250.665, 204.006], ['B', ' OE1', 239.357, 250.276, 202.859], ['B', ' OE2', 238.797, 249.888, 204.942]]
[['B', ' N ', 240.939, 254.288, 206.363], ['B', ' CA ', 241.842, 254.36, 207.502], ['B', ' C ', 241.547, 253.189, 208.421], ['B', ' O ', 240.389, 252.96, 208.786], ['B', ' CB ', 241.7, 255.689, 208.253], ['B', ' CG1', 242.343, 256.811, 207.452], ['B', ' CG2', 242.33, 255.599, 209.608], ['B', ' CD1', 242.084, 258.157, 208.022]]
[['B', ' N ', 242.585, 252.449, 208.79], ['B', ' CA ', 242.473, 251.314, 209.685], ['B', ' C ', 243.532, 251.417, 210.769], ['B', ' O ', 244.635, 251.902, 210.515], ['B', ' CB ', 242.654, 249.99, 208.93], ['B', ' CG ', 241.676, 249.668, 207.802], ['B', ' CD1', 242.364, 248.896, 206.705], ['B', ' CD2', 240.503, 248.88, 208.328]]
[['B', ' N ', 243.227, 250.975, 211.983], ['B', ' CA ', 244.251, 250.878, 213.021], ['B', ' C ', 244.934, 249.523, 212.986], ['B', ' O ', 244.331, 248.501, 212.664], ['B', ' CB ', 243.44, 251.054, 214.308], ['B', ' CG ', 242.14, 250.443, 213.977], ['B', ' CD ', 241.888, 250.688, 212.513]]
[['B', ' N ', 246.222, 249.522, 213.321], ['B', ' CA ', 247.03, 248.33, 213.101], ['B', ' C ', 247.631, 247.798, 214.395], ['B', ' O ', 247.819, 246.586, 214.54], ['B', ' CB ', 248.132, 248.617, 212.069], ['B', ' CG1', 248.953, 247.386, 211.815], ['B', ' CG2', 247.52, 249.083, 210.778]]
[['B', ' N ', 247.913, 248.672, 215.357], ['B', ' CA ', 248.593, 248.197, 216.553], ['B', ' C ', 248.424, 249.19, 217.688], ['B', ' O ', 248.42, 250.401, 217.471], ['B', ' CB ', 250.078, 247.967, 216.284], ['B', ' OG ', 250.767, 249.199, 216.24]]
[['B', ' N ', 248.309, 248.664, 218.9], ['B', ' CA ', 248.179, 249.485, 220.093], ['B', ' C ', 249.564, 249.949, 220.533], ['B', ' O ', 250.543, 249.809, 219.797], ['B', ' CB ', 247.486, 248.711, 221.215], ['B', ' CG ', 246.362, 247.815, 220.789], ['B', ' SD ', 245.243, 247.554, 222.165], ['B', ' CE ', 246.16, 246.339, 223.091]]
[['B', ' N ', 249.661, 250.5, 221.736], ['B', ' CA ', 250.936, 250.855, 222.334], ['B', ' C ', 251.288, 249.803, 223.373], ['B', ' O ', 250.434, 249.388, 224.162], ['B', ' CB ', 250.899, 252.256, 222.951], ['B', ' CG2', 249.913, 252.331, 224.099], ['B', ' OG1', 252.206, 252.609, 223.415]]
[['B', ' N ', 252.53, 249.341, 223.334], ['B', ' CA ', 252.963, 248.262, 224.201], ['B', ' C ', 253.033, 248.745, 225.643], ['B', ' O ', 253.219, 249.931, 225.913], ['B', ' CB ', 254.32, 247.744, 223.733], ['B', ' CG ', 254.258, 247.104, 222.356], ['B', ' CD ', 255.631, 246.797, 221.791], ['B', ' CE ', 256.29, 245.656, 222.524], ['B', ' NZ ', 257.581, 245.288, 221.891]]
[['B', ' N ', 252.862, 247.815, 226.575], ['B', ' CA ', 252.898, 248.158, 227.987], ['B', ' C ', 253.267, 246.93, 228.797], ['B', ' O ', 253.163, 245.796, 228.328], ['B', ' CB ', 251.561, 248.706, 228.48], ['B', ' CG2', 250.495, 247.648, 228.356], ['B', ' OG1', 251.681, 249.07, 229.858]]
[['B', ' N ', 253.701, 247.173, 230.029], ['B', ' CA ', 254.055, 246.094, 230.939], ['B', ' C ', 254.041, 246.65, 232.351], ['B', ' O ', 254.725, 247.635, 232.633], ['B', ' CB ', 255.427, 245.509, 230.605], ['B', ' OG ', 255.732, 244.421, 231.457]]
[['B', ' N ', 253.265, 246.023, 233.227], ['B', ' CA ', 253.049, 246.517, 234.578], ['B', ' C ', 253.636, 245.516, 235.556], ['B', ' O ', 253.27, 244.336, 235.54], ['B', ' CB ', 251.56, 246.751, 234.865], ['B', ' CG1', 251.386, 247.493, 236.174], ['B', ' CG2', 250.932, 247.528, 233.731]]
[['B', ' N ', 254.539, 245.991, 236.407], ['B', ' CA ', 255.079, 245.166, 237.474], ['B', ' C ', 253.976, 244.805, 238.461], ['B', ' O ', 253.009, 245.547, 238.641], ['B', ' CB ', 256.205, 245.913, 238.183], ['B', ' CG ', 256.942, 245.055, 239.176], ['B', ' OD1', 256.619, 243.857, 239.296], ['B', ' OD2', 257.856, 245.582, 239.839]]
[['B', ' N ', 254.119, 243.646, 239.101], ['B', ' CA ', 253.088, 243.19, 240.027], ['B', ' C ', 253.241, 243.859, 241.38], ['B', ' O ', 252.407, 244.67, 241.795], ['B', ' CB ', 253.205, 241.687, 240.244], ['B', ' SG ', 253.143, 240.637, 238.821]]
[['B', ' N ', 254.325, 243.532, 242.069], ['B', ' CA ', 254.514, 243.912, 243.454], ['B', ' C ', 254.95, 245.353, 243.634], ['B', ' O ', 254.794, 245.881, 244.736], ['B', ' CB ', 255.528, 242.986, 244.114], ['B', ' CG2', 256.864, 243.094, 243.434], ['B', ' OG1', 255.658, 243.333, 245.496]]
[['B', ' N ', 255.482, 246.011, 242.61], ['B', ' CA ', 255.679, 247.445, 242.741], ['B', ' C ', 254.362, 248.201, 242.705], ['B', ' O ', 254.269, 249.287, 243.282], ['B', ' CB ', 256.61, 247.985, 241.651], ['B', ' CG ', 256.931, 249.467, 241.836], ['B', ' SD ', 258.026, 250.24, 240.629], ['B', ' CE ', 259.597, 249.528, 241.063]]
[['B', ' N ', 253.333, 247.637, 242.08], ['B', ' CA ', 252.01, 248.242, 242.079], ['B', ' C ', 251.205, 247.864, 243.313], ['B', ' O ', 250.637, 248.735, 243.975], ['B', ' CB ', 251.245, 247.833, 240.817], ['B', ' CG ', 249.853, 248.399, 240.757], ['B', ' CD1', 249.643, 249.76, 240.698], ['B', ' CD2', 248.749, 247.572, 240.771], ['B', ' CE1', 248.378, 250.277, 240.647], ['B', ' CE2', 247.481, 248.087, 240.722], ['B', ' CZ ', 247.304, 249.437, 240.661], ['B', ' OH ', 246.04, 249.957, 240.608]]
[['B', ' N ', 251.152, 246.573, 243.638], ['B', ' CA ', 250.37, 246.126, 244.785], ['B', ' C ', 250.988, 246.619, 246.083], ['B', ' O ', 250.292, 247.134, 246.963], ['B', ' CB ', 250.24, 244.597, 244.78], ['B', ' CG1', 249.657, 244.125, 243.457], ['B', ' CG2', 249.381, 244.149, 245.922], ['B', ' CD1', 248.376, 244.798, 243.108]]
[['B', ' N ', 252.3, 246.464, 246.228], ['B', ' CA ', 253.0, 246.776, 247.471], ['B', ' C ', 254.098, 247.779, 247.148], ['B', ' O ', 255.249, 247.397, 246.935], ['B', ' CB ', 253.577, 245.527, 248.072], ['B', ' SG ', 252.486, 244.115, 247.982]]
[['B', ' N ', 253.757, 249.06, 247.128], ['B', ' CA ', 254.745, 250.032, 246.715], ['B', ' C ', 255.891, 250.146, 247.693], ['B', ' O ', 255.767, 250.795, 248.735]]
[['B', ' N ', 257.021, 249.542, 247.338], ['B', ' CA ', 258.258, 249.576, 248.12], ['B', ' C ', 257.987, 249.317, 249.602], ['B', ' O ', 258.106, 250.193, 250.457], ['B', ' CB ', 258.998, 250.897, 247.911], ['B', ' CG ', 260.194, 251.046, 248.825], ['B', ' OD1', 261.113, 250.207, 248.742], ['B', ' OD2', 260.207, 251.995, 249.634]]
[['B', ' N ', 257.57, 248.091, 249.893], ['B', ' CA ', 257.355, 247.678, 251.268], ['B', ' C ', 257.76, 246.222, 251.413], ['B', ' O ', 257.753, 245.454, 250.45], ['B', ' CB ', 255.9, 247.873, 251.699], ['B', ' OG ', 255.083, 246.837, 251.195]]
[['B', ' N ', 258.122, 245.847, 252.64], ['B', ' CA ', 258.463, 244.469, 252.952], ['B', ' C ', 257.407, 243.753, 253.773], ['B', ' O ', 257.399, 242.519, 253.785], ['B', ' CB ', 259.803, 244.396, 253.699], ['B', ' CG2', 259.642, 244.866, 255.135], ['B', ' OG1', 260.278, 243.045, 253.693]]
[['B', ' N ', 256.515, 244.478, 254.441], ['B', ' CA ', 255.382, 243.86, 255.119], ['B', ' C ', 254.32, 243.44, 254.173], ['B', ' O ', 253.257, 242.996, 254.608], ['B', ' CB ', 254.798, 244.816, 256.16], ['B', ' CG ', 255.845, 245.554, 256.969], ['B', ' CD ', 255.237, 246.455, 258.022], ['B', ' OE1', 254.114, 246.162, 258.479], ['B', ' OE2', 255.882, 247.454, 258.399]]
[['B', ' N ', 254.569, 243.592, 252.874], ['B', ' CA ', 253.667, 243.099, 251.847], ['B', ' C ', 254.32, 241.978, 251.049], ['B', ' O ', 253.808, 241.593, 249.995], ['B', ' CB ', 253.227, 244.245, 250.934], ['B', ' SG ', 251.821, 243.872, 249.879]]
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[['B', ' N ', 255.231, 238.967, 252.909], ['B', ' CA ', 254.537, 237.873, 253.571], ['B', ' C ', 253.072, 237.843, 253.174], ['B', ' O ', 252.509, 236.774, 252.927], ['B', ' CB ', 254.669, 238.014, 255.086], ['B', ' CG ', 256.096, 238.23, 255.528], ['B', ' ND2', 256.851, 237.145, 255.637], ['B', ' OD1', 256.515, 239.36, 255.781]]
[['B', ' N ', 252.443, 239.006, 253.099], ['B', ' CA ', 251.018, 239.101, 252.844], ['B', ' C ', 250.682, 239.025, 251.366], ['B', ' O ', 249.53, 239.257, 250.996], ['B', ' CB ', 250.462, 240.392, 253.444], ['B', ' CG ', 250.238, 240.4, 254.957], ['B', ' CD1', 251.541, 240.433, 255.734], ['B', ' CD2', 249.373, 241.58, 255.336]]
[['B', ' N ', 251.657, 238.715, 250.516], ['B', ' CA ', 251.41, 238.513, 249.094], ['B', ' C ', 251.959, 237.205, 248.558], ['B', ' O ', 251.478, 236.74, 247.52], ['B', ' CB ', 251.995, 239.669, 248.273], ['B', ' CG ', 251.6, 239.734, 246.8], ['B', ' CD1', 250.094, 239.758, 246.666], ['B', ' CD2', 252.212, 240.948, 246.145]]
[['B', ' N ', 252.945, 236.595, 249.215], ['B', ' CA ', 253.317, 235.235, 248.855], ['B', ' C ', 252.199, 234.245, 249.141], ['B', ' O ', 252.212, 233.139, 248.591], ['B', ' CB ', 254.575, 234.814, 249.601], ['B', ' CG ', 255.845, 235.545, 249.192], ['B', ' CD1', 256.995, 235.123, 250.082], ['B', ' CD2', 256.161, 235.28, 247.733]]
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[['B', ' N ', 248.8, 232.862, 245.116], ['B', ' CA ', 249.708, 232.031, 244.359], ['B', ' C ', 250.324, 232.708, 243.157], ['B', ' O ', 250.902, 233.792, 243.265]]
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[['B', ' N ', 251.038, 235.28, 236.133], ['B', ' CA ', 249.967, 235.242, 235.144], ['B', ' C ', 249.788, 236.608, 234.502], ['B', ' O ', 249.662, 236.725, 233.274], ['B', ' CB ', 248.654, 234.801, 235.785], ['B', ' CG ', 248.46, 233.312, 235.922], ['B', ' CD ', 247.077, 232.974, 236.441], ['B', ' NE2', 246.307, 234.001, 236.771], ['B', ' OE1', 246.701, 231.808, 236.536]]
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[['B', ' N ', 251.982, 239.056, 234.369], ['B', ' CA ', 253.193, 239.379, 233.635], ['B', ' C ', 253.438, 238.445, 232.47], ['B', ' O ', 254.436, 238.605, 231.766], ['B', ' CB ', 254.402, 239.361, 234.565], ['B', ' CG ', 254.586, 240.665, 235.292], ['B', ' ND2', 255.811, 241.175, 235.295], ['B', ' OD1', 253.64, 241.213, 235.849]]
[['B', ' N ', 252.57, 237.464, 232.26], ['B', ' CA ', 252.647, 236.612, 231.088], ['B', ' C ', 251.583, 236.923, 230.053], ['B', ' O ', 251.823, 236.7, 228.864], ['B', ' CB ', 252.533, 235.136, 231.492], ['B', ' CG ', 252.9, 234.145, 230.415], ['B', ' CD ', 252.34, 232.772, 230.745], ['B', ' NE ', 252.393, 232.489, 232.176], ['B', ' CZ ', 253.511, 232.279, 232.865], ['B', ' NH1', 254.689, 232.316, 232.262], ['B', ' NH2', 253.45, 232.03, 234.164]]
[['B', ' N ', 250.422, 237.426, 230.464], ['B', ' CA ', 249.439, 237.87, 229.482], ['B', ' C ', 249.888, 239.145, 228.78], ['B', ' O ', 249.724, 239.288, 227.557], ['B', ' CB ', 248.089, 238.086, 230.156]]
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[['B', ' N ', 252.937, 240.361, 228.162], ['B', ' CA ', 253.965, 240.168, 227.147], ['B', ' C ', 253.432, 239.483, 225.901], ['B', ' O ', 253.907, 239.771, 224.801], ['B', ' CB ', 255.137, 239.36, 227.7], ['B', ' CG2', 255.518, 239.852, 229.078], ['B', ' OG1', 254.776, 237.977, 227.762]]
[['B', ' N ', 252.457, 238.586, 226.039], ['B', ' CA ', 251.821, 238.031, 224.855], ['B', ' C ', 251.146, 239.102, 224.023], ['B', ' O ', 251.31, 239.157, 222.797]]
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[['B', ' N ', 251.936, 242.247, 224.076], ['B', ' CA ', 252.97, 243.148, 223.587], ['B', ' C ', 253.671, 242.576, 222.366], ['B', ' O ', 254.044, 243.318, 221.453], ['B', ' CB ', 253.975, 243.44, 224.696]]
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[['B', ' N ', 252.34, 240.313, 220.208], ['B', ' CA ', 251.477, 240.232, 219.033], ['B', ' C ', 251.222, 241.61, 218.443], ['B', ' O ', 251.049, 241.74, 217.224], ['B', ' CB ', 250.152, 239.547, 219.35], ['B', ' CG ', 249.256, 240.292, 220.297], ['B', ' CD ', 247.831, 239.792, 220.231], ['B', ' OE1', 247.625, 238.566, 220.32], ['B', ' OE2', 246.914, 240.624, 220.071]]
[['B', ' N ', 251.225, 242.65, 219.277], ['B', ' CA ', 251.018, 243.994, 218.759], ['B', ' C ', 252.156, 244.449, 217.883], ['B', ' O ', 252.045, 245.489, 217.228], ['B', ' CB ', 250.824, 244.986, 219.901], ['B', ' CG ', 249.541, 244.8, 220.668], ['B', ' CD ', 248.304, 244.885, 219.805], ['B', ' NE2', 247.173, 244.5, 220.37], ['B', ' OE1', 248.356, 245.288, 218.648]]
[['B', ' N ', 253.248, 243.701, 217.871], ['B', ' CA ', 254.386, 243.993, 217.029], ['B', ' C ', 254.54, 242.966, 215.924], ['B', ' O ', 255.165, 243.261, 214.903], ['B', ' CB ', 255.651, 244.047, 217.895], ['B', ' CG ', 256.765, 244.828, 217.266], ['B', ' OD1', 256.894, 244.866, 216.025], ['B', ' OD2', 257.475, 245.481, 218.052]]
[['B', ' N ', 253.974, 241.775, 216.102], ['B', ' CA ', 253.775, 240.862, 214.984], ['B', ' C ', 252.831, 241.459, 213.948], ['B', ' O ', 252.976, 241.208, 212.747], ['B', ' CB ', 253.225, 239.538, 215.501], ['B', ' CG ', 253.048, 238.478, 214.448], ['B', ' CD ', 252.403, 237.236, 215.037], ['B', ' CE ', 253.084, 236.82, 216.329], ['B', ' NZ ', 252.864, 235.382, 216.637]]
[['B', ' N ', 251.84, 242.233, 214.397], ['B', ' CA ', 250.857, 242.795, 213.47], ['B', ' C ', 251.502, 243.751, 212.474], ['B', ' O ', 251.31, 243.625, 211.257], ['B', ' CB ', 249.765, 243.523, 214.243], ['B', ' CG ', 248.87, 242.591, 214.993], ['B', ' ND2', 247.965, 243.152, 215.775], ['B', ' OD1', 248.985, 241.376, 214.88]]
[['B', ' N ', 252.247, 244.735, 212.975], ['B', ' CA ', 252.833, 245.743, 212.105], ['B', ' C ', 253.915, 245.175, 211.211], ['B', ' O ', 254.322, 245.845, 210.262], ['B', ' CB ', 253.409, 246.892, 212.925], ['B', ' CG2', 254.53, 246.403, 213.809], ['B', ' OG1', 253.92, 247.893, 212.041]]
[['B', ' N ', 254.39, 243.969, 211.498], ['B', ' CA ', 255.328, 243.273, 210.636], ['B', ' C ', 254.634, 242.367, 209.638], ['B', ' O ', 255.192, 242.09, 208.576], ['B', ' CB ', 256.305, 242.449, 211.477], ['B', ' CG ', 257.618, 242.153, 210.8], ['B', ' CD ', 257.603, 240.843, 210.062], ['B', ' NE2', 258.516, 240.687, 209.113], ['B', ' OE1', 256.789, 239.97, 210.349]]
[['B', ' N ', 253.433, 241.892, 209.957], ['B', ' CA ', 252.65, 241.151, 208.98], ['B', ' C ', 251.964, 242.06, 207.978], ['B', ' O ', 251.6, 241.596, 206.894], ['B', ' CB ', 251.596, 240.295, 209.676], ['B', ' CG ', 252.053, 238.889, 209.994], ['B', ' CD ', 251.13, 238.188, 210.963], ['B', ' OE1', 251.631, 237.468, 211.849], ['B', ' OE2', 249.901, 238.36, 210.839]]
[['B', ' N ', 251.768, 243.332, 208.317], ['B', ' CA ', 251.098, 244.248, 207.395], ['B', ' C ', 252.071, 244.805, 206.367], ['B', ' O ', 251.879, 244.644, 205.158], ['B', ' CB ', 250.405, 245.385, 208.156], ['B', ' CG1', 249.828, 246.359, 207.171], ['B', ' CG2', 249.314, 244.835, 209.034]]
[['B', ' N ', 253.113, 245.492, 206.828], ['B', ' CA ', 253.969, 246.279, 205.95], ['B', ' C ', 255.109, 245.492, 205.325], ['B', ' O ', 255.68, 245.955, 204.335], ['B', ' CB ', 254.556, 247.466, 206.715], ['B', ' CG ', 253.542, 248.472, 207.137], ['B', ' CD1', 252.96, 249.311, 206.215], ['B', ' CD2', 253.17, 248.58, 208.458], ['B', ' CE1', 252.03, 250.237, 206.606], ['B', ' CE2', 252.24, 249.502, 208.853], ['B', ' CZ ', 251.668, 250.328, 207.929]]
[['B', ' N ', 255.454, 244.325, 205.854], ['B', ' CA ', 256.633, 243.591, 205.413], ['B', ' C ', 256.277, 242.504, 204.408], ['B', ' O ', 256.873, 241.429, 204.393], ['B', ' CB ', 257.375, 242.998, 206.604]]
[['B', ' N ', 255.297, 242.779, 203.555], ['B', ' CA ', 254.89, 241.843, 202.52], ['B', ' C ', 255.753, 241.921, 201.274], ['B', ' O ', 255.68, 241.021, 200.434], ['B', ' CB ', 253.428, 242.08, 202.149], ['B', ' CG ', 252.52, 242.086, 203.357], ['B', ' CD ', 251.067, 242.079, 202.994], ['B', ' NE2', 250.207, 242.08, 204.0], ['B', ' OE1', 250.713, 242.07, 201.822]]
[['B', ' N ', 256.556, 242.961, 201.132], ['B', ' CA ', 257.508, 243.046, 200.039], ['B', ' C ', 258.822, 242.446, 200.52], ['B', ' O ', 259.069, 242.32, 201.721], ['B', ' CB ', 257.682, 244.503, 199.573], ['B', ' CG1', 258.311, 245.337, 200.671], ['B', ' CG2', 258.458, 244.585, 198.277]]
[['B', ' N ', 259.678, 242.052, 199.581], ['B', ' CA ', 260.939, 241.419, 199.939], ['B', ' C ', 262.151, 242.319, 199.773], ['B', ' O ', 263.114, 242.171, 200.525], ['B', ' CB ', 261.152, 240.147, 199.112], ['B', ' CG ', 261.301, 240.38, 197.625], ['B', ' CD ', 262.334, 239.438, 197.024], ['B', ' CE ', 261.927, 237.985, 197.205], ['B', ' NZ ', 262.831, 237.052, 196.48]]
[['B', ' N ', 262.128, 243.247, 198.823], ['B', ' CA ', 263.251, 244.125, 198.543], ['B', ' C ', 262.788, 245.572, 198.558], ['B', ' O ', 261.594, 245.863, 198.561], ['B', ' CB ', 263.887, 243.786, 197.195], ['B', ' CG ', 264.402, 242.37, 197.121], ['B', ' CD ', 265.121, 242.081, 195.83], ['B', ' NE2', 265.652, 240.873, 195.709], ['B', ' OE1', 265.2, 242.933, 194.947]]
[['B', ' N ', 263.751, 246.488, 198.56], ['B', ' CA ', 263.428, 247.905, 198.653], ['B', ' C ', 263.652, 248.575, 197.306], ['B', ' O ', 264.77, 248.981, 196.978], ['B', ' CB ', 264.244, 248.589, 199.759], ['B', ' CG1', 263.987, 247.9, 201.092], ['B', ' CG2', 263.864, 250.043, 199.874], ['B', ' CD1', 262.584, 248.076, 201.594]]
[['B', ' N ', 262.588, 248.692, 196.521], ['B', ' CA ', 262.664, 249.337, 195.225], ['B', ' C ', 262.781, 250.848, 195.389], ['B', ' O ', 262.442, 251.415, 196.427], ['B', ' CB ', 261.434, 248.99, 194.392], ['B', ' CG ', 261.121, 247.519, 194.39], ['B', ' CD1', 261.735, 246.668, 193.496], ['B', ' CD2', 260.219, 246.983, 195.287], ['B', ' CE1', 261.46, 245.324, 193.491], ['B', ' CE2', 259.939, 245.642, 195.291], ['B', ' CZ ', 260.565, 244.814, 194.392], ['B', ' OH ', 260.289, 243.468, 194.388]]
[['B', ' N ', 263.289, 251.5, 194.346], ['B', ' CA ', 263.398, 252.951, 194.312], ['B', ' C ', 263.046, 253.445, 192.92], ['B', ' O ', 263.318, 252.765, 191.928], ['B', ' CB ', 264.804, 253.433, 194.686], ['B', ' CG ', 265.294, 252.974, 196.044], ['B', ' CD ', 266.566, 253.698, 196.44], ['B', ' CE ', 266.305, 255.165, 196.732], ['B', ' NZ ', 264.996, 255.38, 197.408]]
[['B', ' N ', 262.445, 254.627, 192.851], ['B', ' CA ', 262.079, 255.204, 191.571], ['B', ' C ', 263.313, 255.741, 190.855], ['B', ' O ', 264.354, 255.963, 191.475], ['B', ' CB ', 261.06, 256.323, 191.76], ['B', ' CG2', 259.787, 255.796, 192.365], ['B', ' OG1', 261.62, 257.345, 192.59]]
[['B', ' N ', 263.224, 255.951, 189.543], ['B', ' CA ', 264.3, 256.634, 188.826], ['B', ' C ', 264.436, 258.068, 189.306], ['B', ' O ', 263.641, 258.513, 190.148], ['B', ' CB ', 263.84, 256.561, 187.364], ['B', ' CG ', 262.383, 256.476, 187.434], ['B', ' CD ', 262.075, 255.678, 188.663]]
[['B', ' N ', 265.438, 258.828, 188.8], ['B', ' CA ', 265.745, 260.147, 189.374], ['B', ' C ', 264.557, 261.018, 189.754], ['B', ' O ', 264.416, 261.352, 190.934], ['B', ' CB ', 266.566, 260.822, 188.264], ['B', ' CG ', 266.893, 259.734, 187.254], ['B', ' CD ', 266.489, 258.429, 187.852]]
[['B', ' N ', 263.698, 261.403, 188.811], ['B', ' CA ', 262.602, 262.282, 189.205], ['B', ' C ', 261.239, 261.703, 188.841], ['B', ' O ', 260.505, 261.236, 189.72], ['B', ' CB ', 262.787, 263.675, 188.576], ['B', ' CG1', 264.152, 264.253, 188.955], ['B', ' CG2', 261.7, 264.617, 189.043], ['B', ' CD1', 264.53, 265.497, 188.183]]
[['B', ' N ', 260.914, 261.676, 187.546], ['B', ' CA ', 259.603, 261.217, 187.097], ['B', ' C ', 259.493, 261.241, 185.579], ['B', ' O ', 260.169, 262.033, 184.915], ['B', ' CB ', 258.488, 262.089, 187.679], ['B', ' CG ', 258.53, 263.529, 187.198], ['B', ' CD ', 258.267, 264.526, 188.314], ['B', ' CE ', 256.916, 264.306, 188.964], ['B', ' NZ ', 256.64, 265.33, 190.007]]
[['B', ' N ', 258.66, 260.363, 185.015], ['B', ' CA ', 258.237, 260.533, 183.63], ['B', ' C ', 256.817, 260.045, 183.35], ['B', ' O ', 256.469, 259.891, 182.173], ['B', ' CB ', 259.226, 259.836, 182.704], ['B', ' CG ', 259.313, 258.361, 182.968], ['B', ' OD1', 258.639, 257.901, 183.907], ['B', ' OD2', 260.052, 257.662, 182.246]]
[['B', ' N ', 255.984, 259.808, 184.365], ['B', ' CA ', 254.828, 258.924, 184.227], ['B', ' C ', 253.65, 259.519, 183.465], ['B', ' O ', 252.547, 259.634, 184.004], ['B', ' CB ', 254.366, 258.484, 185.61], ['B', ' CG ', 255.477, 258.021, 186.486], ['B', ' CD1', 256.352, 257.057, 186.048], ['B', ' CD2', 255.651, 258.55, 187.742], ['B', ' CE1', 257.373, 256.628, 186.844], ['B', ' CE2', 256.674, 258.124, 188.541], ['B', ' CZ ', 257.535, 257.159, 188.091]]
[['B', ' N ', 253.876, 259.906, 182.217], ['B', ' CA ', 252.804, 260.178, 181.28], ['B', ' C ', 252.137, 261.52, 181.475], ['B', ' O ', 252.454, 262.485, 180.773]]
[['B', ' N ', 251.215, 261.595, 182.431], ['B', ' CA ', 250.696, 262.867, 182.886], ['B', ' C ', 250.393, 262.843, 184.366], ['B', ' O ', 250.044, 263.865, 184.96]]
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[['B', ' N ', 254.154, 251.882, 191.054], ['B', ' CA ', 254.231, 252.915, 190.039], ['B', ' C ', 255.102, 252.487, 188.873], ['B', ' O ', 254.907, 252.96, 187.75], ['B', ' CB ', 254.76, 254.201, 190.688], ['B', ' CG1', 253.787, 254.673, 191.76], ['B', ' CG2', 254.965, 255.275, 189.661], ['B', ' CD1', 254.333, 255.765, 192.626]]
[['B', ' N ', 256.051, 251.587, 189.102], ['B', ' CA ', 257.015, 251.21, 188.086], ['B', ' C ', 256.845, 249.803, 187.54], ['B', ' O ', 257.409, 249.511, 186.483], ['B', ' CB ', 258.44, 251.339, 188.638], ['B', ' CG2', 258.668, 252.722, 189.186], ['B', ' OG1', 258.622, 250.389, 189.689]]
[['B', ' N ', 256.093, 248.925, 188.206], ['B', ' CA ', 256.082, 247.52, 187.823], ['B', ' C ', 254.715, 246.852, 187.76], ['B', ' O ', 254.629, 245.747, 187.221], ['B', ' CB ', 256.966, 246.707, 188.773], ['B', ' OG ', 256.929, 245.344, 188.419]]
[['B', ' N ', 253.66, 247.453, 188.295], ['B', ' CA ', 252.328, 246.896, 188.127], ['B', ' C ', 252.008, 245.655, 188.936], ['B', ' O ', 252.417, 245.536, 190.092]]
[['B', ' N ', 251.264, 244.723, 188.331], ['B', ' CA ', 250.809, 243.528, 189.035], ['B', ' C ', 251.954, 242.703, 189.578], ['B', ' O ', 251.777, 241.997, 190.574], ['B', ' CB ', 250.04, 242.588, 188.112], ['B', ' CG ', 248.741, 243.06, 187.61], ['B', ' CD1', 247.523, 242.9, 188.193], ['B', ' CD2', 248.508, 243.693, 186.356], ['B', ' CE2', 247.127, 243.93, 186.259], ['B', ' CE3', 249.34, 244.106, 185.312], ['B', ' NE1', 246.545, 243.44, 187.398], ['B', ' CZ2', 246.559, 244.56, 185.162], ['B', ' CZ3', 248.779, 244.729, 184.229], ['B', ' CH2', 247.4, 244.951, 184.157]]
[['B', ' N ', 253.117, 242.766, 188.94], ['B', ' CA ', 254.032, 241.638, 188.955], ['B', ' C ', 255.327, 241.891, 189.704], ['B', ' O ', 256.4, 241.481, 189.258], ['B', ' CB ', 254.324, 241.216, 187.518], ['B', ' CG2', 254.997, 242.331, 186.746], ['B', ' OG1', 255.136, 240.037, 187.52]]
[['B', ' N ', 255.238, 242.535, 190.859], ['B', ' CA ', 256.331, 242.497, 191.816], ['B', ' C ', 255.921, 241.767, 193.085], ['B', ' O ', 256.69, 241.75, 194.052], ['B', ' CB ', 256.83, 243.902, 192.147], ['B', ' CG ', 255.976, 244.63, 193.12], ['B', ' CD1', 254.725, 245.073, 192.762], ['B', ' CD2', 256.427, 244.872, 194.396], ['B', ' CE1', 253.942, 245.75, 193.655], ['B', ' CE2', 255.652, 245.543, 195.293], ['B', ' CZ ', 254.405, 245.984, 194.924]]
[['B', ' N ', 254.735, 241.164, 193.103], ['B', ' CA ', 254.32, 240.313, 194.197], ['B', ' C ', 254.457, 238.852, 193.833], ['B', ' O ', 254.675, 238.003, 194.701]]
[['B', ' N ', 254.319, 238.551, 192.545], ['B', ' CA ', 254.555, 237.204, 192.044], ['B', ' C ', 256.016, 236.813, 192.222], ['B', ' O ', 256.335, 235.88, 192.963], ['B', ' CB ', 254.152, 237.103, 190.573]]
[['B', ' N ', 256.907, 237.528, 191.548], ['B', ' CA ', 258.326, 237.269, 191.648], ['B', ' C ', 259.132, 238.54, 191.513], ['B', ' O ', 258.802, 239.553, 192.131]]
[['B', ' N ', 260.185, 238.504, 190.703], ['B', ' CA ', 260.98, 239.694, 190.458], ['B', ' C ', 260.122, 240.753, 189.777], ['B', ' O ', 259.096, 240.461, 189.16], ['B', ' CB ', 262.205, 239.352, 189.613]]
[['B', ' N ', 260.548, 242.003, 189.887], ['B', ' CA ', 259.769, 243.13, 189.401], ['B', ' C ', 260.016, 243.312, 187.913], ['B', ' O ', 261.165, 243.44, 187.48], ['B', ' CB ', 260.125, 244.405, 190.163]]
[['B', ' N ', 258.94, 243.314, 187.136], ['B', ' CA ', 259.007, 243.503, 185.696], ['B', ' C ', 258.52, 244.903, 185.361], ['B', ' O ', 257.393, 245.274, 185.701], ['B', ' CB ', 258.173, 242.457, 184.961], ['B', ' CG ', 258.4, 241.002, 185.349], ['B', ' CD1', 257.362, 240.137, 184.678], ['B', ' CD2', 259.786, 240.566, 184.961]]
[['B', ' N ', 259.372, 245.669, 184.695], ['B', ' CA ', 259.032, 247.016, 184.27], ['B', ' C ', 257.92, 246.996, 183.23], ['B', ' O ', 257.71, 245.995, 182.545], ['B', ' CB ', 260.278, 247.671, 183.703], ['B', ' CG ', 260.77, 246.944, 182.488], ['B', ' CD ', 262.23, 247.156, 182.244], ['B', ' NE2', 262.956, 246.067, 182.071], ['B', ' OE1', 262.712, 248.28, 182.229]]
[['B', ' N ', 257.195, 248.106, 183.13], ['B', ' CA ', 256.171, 248.314, 182.105], ['B', ' C ', 255.829, 249.799, 182.1], ['B', ' O ', 255.676, 250.389, 183.176], ['B', ' CB ', 254.934, 247.435, 182.354], ['B', ' CG1', 253.901, 247.615, 181.248], ['B', ' CG2', 254.321, 247.725, 183.698], ['B', ' CD1', 252.954, 246.461, 181.109]]
[['B', ' N ', 255.739, 250.454, 180.942], ['B', ' CA ', 255.463, 251.897, 180.939], ['B', ' C ', 254.121, 252.184, 181.591], ['B', ' O ', 253.162, 251.436, 181.414], ['B', ' CB ', 255.458, 252.264, 179.453], ['B', ' CG ', 255.976, 251.103, 178.743], ['B', ' CD ', 255.803, 249.905, 179.584]]
[['B', ' N ', 254.057, 253.28, 182.346], ['B', ' CA ', 252.892, 253.51, 183.192], ['B', ' C ', 251.62, 253.654, 182.375], ['B', ' O ', 250.55, 253.205, 182.8], ['B', ' CB ', 253.088, 254.747, 184.055], ['B', ' CG ', 252.09, 254.864, 185.151], ['B', ' CD1', 252.294, 254.227, 186.351], ['B', ' CD2', 250.94, 255.594, 184.978], ['B', ' CE1', 251.379, 254.323, 187.361], ['B', ' CE2', 250.019, 255.689, 185.987], ['B', ' CZ ', 250.24, 255.054, 187.179]]
[['B', ' N ', 251.704, 254.31, 181.219], ['B', ' CA ', 250.52, 254.455, 180.385], ['B', ' C ', 249.916, 253.1, 180.077], ['B', ' O ', 248.71, 252.894, 180.245], ['B', ' CB ', 250.869, 255.194, 179.095]]
[['B', ' N ', 250.746, 252.147, 179.668], ['B', ' CA ', 250.243, 250.813, 179.386], ['B', ' C ', 249.759, 250.111, 180.641], ['B', ' O ', 248.843, 249.293, 180.563], ['B', ' CB ', 251.317, 249.978, 178.701], ['B', ' CG ', 251.634, 250.433, 177.305], ['B', ' SD ', 253.248, 249.851, 176.796], ['B', ' CE ', 252.96, 248.087, 176.8]]
[['B', ' N ', 250.346, 250.403, 181.798], ['B', ' CA ', 249.855, 249.798, 183.029], ['B', ' C ', 248.428, 250.235, 183.31], ['B', ' O ', 247.536, 249.403, 183.52], ['B', ' CB ', 250.76, 250.167, 184.197], ['B', ' CG ', 250.464, 249.389, 185.446], ['B', ' CD ', 251.002, 250.063, 186.68], ['B', ' NE2', 252.303, 249.961, 186.883], ['B', ' OE1', 250.259, 250.678, 187.441]]
[['B', ' N ', 248.186, 251.542, 183.298], ['B', ' CA ', 246.85, 252.075, 183.496], ['B', ' C ', 245.891, 251.661, 182.389], ['B', ' O ', 244.685, 251.565, 182.631], ['B', ' CB ', 246.9, 253.596, 183.605], ['B', ' CG ', 245.55, 254.234, 183.841], ['B', ' SD ', 244.958, 254.033, 185.526], ['B', ' CE ', 246.412, 254.508, 186.448]]
[['B', ' N ', 246.396, 251.397, 181.19], ['B', ' CA ', 245.563, 250.919, 180.099], ['B', ' C ', 245.186, 249.463, 180.216], ['B', ' O ', 244.075, 249.099, 179.847], ['B', ' CB ', 246.269, 251.118, 178.757]]
[['B', ' N ', 246.08, 248.623, 180.699], ['B', ' CA ', 245.785, 247.217, 180.883], ['B', ' C ', 245.129, 246.96, 182.22], ['B', ' O ', 244.799, 245.812, 182.525], ['B', ' CB ', 247.065, 246.397, 180.742], ['B', ' CG ', 247.646, 246.46, 179.343], ['B', ' CD1', 246.878, 246.901, 178.272], ['B', ' CD2', 248.956, 246.095, 179.094], ['B', ' CE1', 247.398, 246.966, 176.997], ['B', ' CE2', 249.48, 246.151, 177.822], ['B', ' CZ ', 248.699, 246.59, 176.779], ['B', ' OH ', 249.223, 246.653, 175.51]]
[['B', ' N ', 244.964, 248.001, 183.03], ['B', ' CA ', 244.083, 247.915, 184.184], ['B', ' C ', 242.626, 248.185, 183.843], ['B', ' O ', 241.743, 247.635, 184.506], ['B', ' CB ', 244.534, 248.879, 185.274], ['B', ' CG ', 245.512, 248.251, 186.228], ['B', ' CD ', 246.161, 249.286, 187.091], ['B', ' NE ', 247.321, 248.769, 187.796], ['B', ' CZ ', 247.253, 247.934, 188.822], ['B', ' NH1', 246.079, 247.52, 189.261], ['B', ' NH2', 248.358, 247.516, 189.414]]
[['B', ' N ', 242.339, 249.02, 182.839], ['B', ' CA ', 240.957, 249.142, 182.387], ['B', ' C ', 240.453, 247.827, 181.831], ['B', ' O ', 239.341, 247.393, 182.149], ['B', ' CB ', 240.798, 250.22, 181.32], ['B', ' CG ', 240.792, 251.611, 181.85], ['B', ' CD1', 240.72, 251.852, 183.197], ['B', ' CD2', 240.761, 252.68, 180.986], ['B', ' CE1', 240.695, 253.131, 183.671], ['B', ' CE2', 240.723, 253.954, 181.46], ['B', ' CZ ', 240.689, 254.18, 182.8]]
[['B', ' N ', 241.26, 247.171, 181.007], ['B', ' CA ', 240.832, 245.939, 180.368], ['B', ' C ', 240.438, 244.883, 181.39], ['B', ' O ', 239.887, 243.845, 181.015], ['B', ' CB ', 241.95, 245.431, 179.463], ['B', ' CG ', 241.433, 244.798, 178.206], ['B', ' ND2', 242.342, 244.381, 177.341], ['B', ' OD1', 240.23, 244.7, 177.999]]
[['B', ' N ', 240.712, 245.127, 182.671], ['B', ' CA ', 240.2, 244.251, 183.707], ['B', ' C ', 238.771, 244.582, 184.093], ['B', ' O ', 237.912, 243.7, 184.146]]
[['B', ' N ', 238.494, 245.859, 184.372], ['B', ' CA ', 237.155, 246.228, 184.818], ['B', ' C ', 236.136, 246.139, 183.697], ['B', ' O ', 234.935, 246.052, 183.969], ['B', ' CB ', 237.139, 247.637, 185.43], ['B', ' CG1', 237.505, 248.683, 184.386], ['B', ' CG2', 238.094, 247.709, 186.584], ['B', ' CD1', 237.764, 250.047, 184.96]]
[['B', ' N ', 236.571, 246.155, 182.441], ['B', ' CA ', 235.648, 245.921, 181.349], ['B', ' C ', 235.848, 246.758, 180.105], ['B', ' O ', 235.579, 246.284, 179.001]]
[['B', ' N ', 236.319, 247.99, 180.255], ['B', ' CA ', 236.47, 248.869, 179.103], ['B', ' C ', 237.762, 248.552, 178.357], ['B', ' O ', 238.715, 248.001, 178.909], ['B', ' CB ', 236.412, 250.343, 179.523], ['B', ' CG1', 235.012, 250.713, 179.868], ['B', ' CG2', 237.266, 250.552, 180.729]]
[['B', ' N ', 237.788, 248.917, 177.079], ['B', ' CA ', 238.905, 248.599, 176.203], ['B', ' C ', 240.065, 249.549, 176.476], ['B', ' O ', 240.042, 250.337, 177.423], ['B', ' CB ', 238.459, 248.656, 174.751], ['B', ' CG2', 237.335, 247.684, 174.519], ['B', ' OG1', 238.0, 249.974, 174.452]]
[['B', ' N ', 241.103, 249.481, 175.642], ['B', ' CA ', 242.296, 250.299, 175.815], ['B', ' C ', 242.277, 251.584, 175.003], ['B', ' O ', 242.847, 252.59, 175.442], ['B', ' CB ', 243.539, 249.496, 175.44], ['B', ' CG ', 243.547, 248.096, 175.989], ['B', ' CD ', 244.39, 247.169, 175.152], ['B', ' NE2', 244.652, 245.976, 175.665], ['B', ' OE1', 244.802, 247.522, 174.053]]
[['B', ' N ', 241.657, 251.572, 173.824], ['B', ' CA ', 241.472, 252.813, 173.085], ['B', ' C ', 240.757, 253.857, 173.926], ['B', ' O ', 241.089, 255.047, 173.857], ['B', ' CB ', 240.721, 252.531, 171.785], ['B', ' CG ', 239.324, 251.999, 172.013], ['B', ' ND2', 238.666, 251.601, 170.936], ['B', ' OD1', 238.841, 251.94, 173.139]]
[['B', ' N ', 239.814, 253.423, 174.761], ['B', ' CA ', 239.099, 254.343, 175.636], ['B', ' C ', 240.077, 255.129, 176.491], ['B', ' O ', 239.868, 256.316, 176.763], ['B', ' CB ', 238.086, 253.571, 176.495], ['B', ' CG1', 237.659, 254.393, 177.682], ['B', ' CG2', 236.894, 253.181, 175.654]]
[['B', ' N ', 241.174, 254.497, 176.908], ['B', ' CA ', 242.192, 255.225, 177.656], ['B', ' C ', 243.069, 256.06, 176.739], ['B', ' O ', 243.22, 257.268, 176.94], ['B', ' CB ', 243.073, 254.276, 178.454], ['B', ' CG ', 244.111, 255.159, 179.136], ['B', ' CD1', 243.464, 255.892, 180.28], ['B', ' CD2', 245.306, 254.393, 179.609]]
[['B', ' N ', 243.666, 255.429, 175.728], ['B', ' CA ', 244.693, 256.119, 174.954], ['B', ' C ', 244.16, 257.37, 174.273], ['B', ' O ', 244.915, 258.325, 174.08], ['B', ' CB ', 245.313, 255.182, 173.927], ['B', ' CG ', 246.111, 254.066, 174.542], ['B', ' CD1', 247.176, 254.333, 175.381], ['B', ' CD2', 245.811, 252.748, 174.272], ['B', ' CE1', 247.906, 253.317, 175.939], ['B', ' CE2', 246.538, 251.729, 174.827], ['B', ' CZ ', 247.582, 252.019, 175.655], ['B', ' OH ', 248.309, 251.001, 176.208]]
[['B', ' N ', 242.882, 257.406, 173.908], ['B', ' CA ', 242.341, 258.653, 173.38], ['B', ' C ', 241.814, 259.592, 174.456], ['B', ' O ', 241.324, 260.674, 174.121], ['B', ' CB ', 241.245, 258.398, 172.339], ['B', ' CG ', 241.77, 257.865, 171.014], ['B', ' CD ', 241.663, 256.372, 170.863], ['B', ' OE1', 240.72, 255.784, 171.424], ['B', ' OE2', 242.524, 255.787, 170.176]]
[['B', ' N ', 241.914, 259.224, 175.73], ['B', ' CA ', 241.471, 260.08, 176.823], ['B', ' C ', 242.514, 260.135, 177.929], ['B', ' O ', 242.17, 260.237, 179.107], ['B', ' CB ', 240.135, 259.602, 177.378], ['B', ' CG ', 238.97, 260.112, 176.581], ['B', ' ND2', 237.802, 259.531, 176.801], ['B', ' OD1', 239.118, 261.012, 175.759]]
[['B', ' N ', 243.793, 260.047, 177.564], ['B', ' CA ', 244.855, 260.077, 178.561], ['B', ' C ', 244.918, 261.422, 179.266], ['B', ' O ', 245.085, 261.479, 180.487], ['B', ' CB ', 246.192, 259.758, 177.902], ['B', ' CG ', 247.316, 259.508, 178.869], ['B', ' CD ', 248.529, 258.91, 178.194], ['B', ' NE2', 249.669, 258.978, 178.862], ['B', ' OE1', 248.445, 258.402, 177.08]]
[['B', ' N ', 244.8, 262.518, 178.517], ['B', ' CA ', 244.88, 263.837, 179.133], ['B', ' C ', 243.745, 264.049, 180.124], ['B', ' O ', 243.959, 264.543, 181.239], ['B', ' CB ', 244.864, 264.915, 178.055], ['B', ' CG ', 246.041, 264.845, 177.103], ['B', ' CD ', 247.344, 265.211, 177.8], ['B', ' CE ', 248.22, 263.988, 178.031], ['B', ' NZ ', 249.546, 264.356, 178.578]]
[['B', ' N ', 242.529, 263.675, 179.733], ['B', ' CA ', 241.386, 263.848, 180.617], ['B', ' C ', 241.573, 263.074, 181.909], ['B', ' O ', 241.386, 263.619, 182.999], ['B', ' CB ', 240.106, 263.407, 179.916], ['B', ' CG ', 239.301, 264.495, 179.217], ['B', ' CD1', 240.004, 264.973, 177.957], ['B', ' CD2', 237.924, 263.965, 178.899]]
[['B', ' N ', 241.949, 261.8, 181.811], ['B', ' CA ', 242.08, 260.989, 183.014], ['B', ' C ', 243.225, 261.488, 183.881], ['B', ' O ', 243.121, 261.508, 185.111], ['B', ' CB ', 242.239, 259.504, 182.654], ['B', ' CG1', 242.126, 258.655, 183.907], ['B', ' CG2', 243.543, 259.231, 181.967], ['B', ' CD1', 241.958, 257.206, 183.616]]
[['B', ' N ', 244.326, 261.917, 183.265], ['B', ' CA ', 245.455, 262.405, 184.044], ['B', ' C ', 245.084, 263.663, 184.82], ['B', ' O ', 245.372, 263.776, 186.019], ['B', ' CB ', 246.646, 262.66, 183.126]]
[['B', ' N ', 244.436, 264.619, 184.157], ['B', ' CA ', 244.062, 265.841, 184.85], ['B', ' C ', 242.868, 265.652, 185.771], ['B', ' O ', 242.64, 266.5, 186.637], ['B', ' CB ', 243.781, 266.952, 183.843], ['B', ' CG ', 244.971, 267.238, 182.958], ['B', ' ND2', 244.729, 267.866, 181.814], ['B', ' OD1', 246.103, 266.912, 183.308]]
[['B', ' N ', 242.101, 264.576, 185.605], ['B', ' CA ', 241.073, 264.244, 186.58], ['B', ' C ', 241.672, 263.611, 187.823], ['B', ' O ', 241.145, 263.795, 188.924], ['B', ' CB ', 240.043, 263.303, 185.962], ['B', ' CG ', 238.905, 264.008, 185.258], ['B', ' CD ', 237.911, 263.044, 184.645], ['B', ' NE2', 237.999, 262.859, 183.336], ['B', ' OE1', 237.07, 262.48, 185.337]]
[['B', ' N ', 242.758, 262.857, 187.656], ['B', ' CA ', 243.442, 262.216, 188.774], ['B', ' C ', 244.243, 263.222, 189.591], ['B', ' O ', 244.253, 263.163, 190.829], ['B', ' CB ', 244.34, 261.106, 188.227], ['B', ' CG ', 245.175, 260.427, 189.255], ['B', ' CD1', 244.603, 259.864, 190.37], ['B', ' CD2', 246.535, 260.323, 189.09], ['B', ' CE1', 245.381, 259.232, 191.307], ['B', ' CE2', 247.313, 259.693, 190.026], ['B', ' CZ ', 246.738, 259.145, 191.13]]
[['B', ' N ', 244.918, 264.152, 188.916], ['B', ' CA ', 245.674, 265.17, 189.637], ['B', ' C ', 244.752, 266.051, 190.466], ['B', ' O ', 245.008, 266.29, 191.65], ['B', ' CB ', 246.484, 266.013, 188.66], ['B', ' CG ', 247.497, 265.2, 187.908], ['B', ' ND2', 247.817, 265.623, 186.697], ['B', ' OD1', 247.985, 264.195, 188.407]]
[['B', ' N ', 243.663, 266.528, 189.872], ['B', ' CA ', 242.718, 267.382, 190.571], ['B', ' C ', 241.785, 266.595, 191.476], ['B', ' O ', 240.807, 267.154, 191.982], ['B', ' CB ', 241.918, 268.211, 189.57], ['B', ' OG ', 241.092, 267.389, 188.772]]
[['B', ' N ', 242.057, 265.309, 191.677], ['B', ' CA ', 241.376, 264.517, 192.688], ['B', ' C ', 242.28, 264.106, 193.832], ['B', ' O ', 241.775, 263.84, 194.924], ['B', ' CB ', 240.76, 263.252, 192.074]]
[['B', ' N ', 243.592, 264.029, 193.613], ['B', ' CA ', 244.487, 263.855, 194.751], ['B', ' C ', 244.475, 265.072, 195.672], ['B', ' O ', 244.477, 264.907, 196.898], ['B', ' CB ', 245.927, 263.551, 194.31], ['B', ' CG1', 246.012, 262.167, 193.684], ['B', ' CG2', 246.875, 263.594, 195.485], ['B', ' CD1', 247.402, 261.801, 193.248]]
[['B', ' N ', 244.433, 266.29, 195.123], ['B', ' CA ', 244.501, 267.479, 195.96], ['B', ' C ', 243.366, 267.594, 196.96], ['B', ' O ', 243.523, 268.212, 198.022]]
[['B', ' N ', 242.208, 267.017, 196.642], ['B', ' CA ', 241.1, 267.068, 197.585], ['B', ' C ', 241.421, 266.312, 198.864], ['B', ' O ', 240.92, 266.674, 199.931], ['B', ' CB ', 239.828, 266.519, 196.947], ['B', ' CG ', 239.547, 267.071, 195.568], ['B', ' CD ', 238.834, 268.399, 195.65], ['B', ' CE ', 239.211, 269.285, 194.48], ['B', ' NZ ', 240.652, 269.645, 194.51]]
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[['B', ' N ', 245.933, 245.369, 255.497], ['B', ' CA ', 246.708, 245.216, 254.279], ['B', ' C ', 246.134, 244.111, 253.411], ['B', ' O ', 246.243, 244.172, 252.187], ['B', ' CB ', 248.185, 244.971, 254.625], ['B', ' CG1', 248.738, 246.16, 255.403], ['B', ' CG2', 249.004, 244.793, 253.372], ['B', ' CD1', 250.228, 246.16, 255.507]]
[['B', ' N ', 245.501, 243.094, 254.0], ['B', ' CA ', 244.827, 242.104, 253.169], ['B', ' C ', 243.693, 242.738, 252.386], ['B', ' O ', 243.506, 242.437, 251.202], ['B', ' CB ', 244.307, 240.946, 254.016], ['B', ' CG ', 245.368, 239.903, 254.284], ['B', ' OD1', 246.553, 240.275, 254.374], ['B', ' OD2', 245.022, 238.707, 254.385]]
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[['B', ' N ', 243.736, 242.768, 248.319], ['B', ' CA ', 242.648, 242.206, 247.532], ['B', ' C ', 242.087, 243.242, 246.57], ['B', ' O ', 241.864, 242.947, 245.39], ['B', ' CB ', 241.55, 241.678, 248.45], ['B', ' CG2', 240.413, 241.11, 247.631], ['B', ' OG1', 242.08, 240.642, 249.281]]
[['B', ' N ', 241.884, 244.47, 247.045], ['B', ' CA ', 241.364, 245.497, 246.157], ['B', ' C ', 242.289, 245.781, 244.988], ['B', ' O ', 241.861, 245.82, 243.83]]
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[['B', ' N ', 244.713, 243.929, 243.748], ['B', ' CA ', 244.822, 242.768, 242.879], ['B', ' C ', 243.617, 242.655, 241.962], ['B', ' O ', 243.763, 242.367, 240.77], ['B', ' CB ', 244.975, 241.51, 243.725], ['B', ' CG ', 245.246, 240.208, 242.987], ['B', ' CD1', 246.263, 240.432, 241.886], ['B', ' CD2', 245.736, 239.16, 243.964]]
[['B', ' N ', 242.415, 242.883, 242.493], ['B', ' CA ', 241.229, 242.832, 241.647], ['B', ' C ', 241.275, 243.903, 240.567], ['B', ' O ', 240.956, 243.635, 239.401], ['B', ' CB ', 239.97, 242.993, 242.49], ['B', ' CG ', 238.748, 243.357, 241.677], ['B', ' CD ', 237.485, 243.371, 242.502], ['B', ' NE2', 237.636, 243.283, 243.816], ['B', ' OE1', 236.384, 243.464, 241.965]]
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[['B', ' N ', 243.785, 242.89, 237.89], ['B', ' CA ', 243.295, 241.79, 237.07], ['B', ' C ', 242.249, 242.27, 236.076], ['B', ' O ', 242.242, 241.842, 234.913], ['B', ' CB ', 242.729, 240.686, 237.957], ['B', ' CG ', 242.017, 239.584, 237.205], ['B', ' CD ', 240.89, 238.98, 238.013], ['B', ' NE2', 240.115, 238.103, 237.391], ['B', ' OE1', 240.721, 239.295, 239.188]]
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[['B', ' N ', 242.123, 245.189, 234.828], ['B', ' CA ', 242.817, 245.896, 233.756], ['B', ' C ', 243.384, 244.931, 232.725], ['B', ' O ', 243.277, 245.169, 231.515], ['B', ' CB ', 243.947, 246.751, 234.307], ['B', ' CG ', 244.924, 247.188, 233.243], ['B', ' CD1', 244.552, 248.086, 232.264], ['B', ' CD2', 246.214, 246.698, 233.217], ['B', ' CE1', 245.436, 248.49, 231.297], ['B', ' CE2', 247.105, 247.096, 232.254], ['B', ' CZ ', 246.709, 247.99, 231.296], ['B', ' OH ', 247.595, 248.39, 230.331]]
[['B', ' N ', 244.013, 243.85, 233.19], ['B', ' CA ', 244.618, 242.901, 232.26], ['B', ' C ', 243.556, 242.268, 231.377], ['B', ' O ', 243.764, 242.081, 230.174], ['B', ' CB ', 245.425, 241.833, 233.01], ['B', ' CG1', 246.159, 240.968, 232.021], ['B', ' CG2', 246.411, 242.481, 233.946]]
[['B', ' N ', 242.407, 241.92, 231.956], ['B', ' CA ', 241.344, 241.309, 231.16], ['B', ' C ', 240.833, 242.264, 230.086], ['B', ' O ', 240.596, 241.859, 228.94], ['B', ' CB ', 240.202, 240.858, 232.065], ['B', ' CG2', 238.97, 240.54, 231.248], ['B', ' OG1', 240.603, 239.692, 232.792]]
[['B', ' N ', 240.661, 243.538, 230.436], ['B', ' CA ', 240.199, 244.508, 229.453], ['B', ' C ', 241.211, 244.685, 228.336], ['B', ' O ', 240.834, 244.79, 227.165], ['B', ' CB ', 239.904, 245.848, 230.12], ['B', ' CG ', 239.325, 246.912, 229.193], ['B', ' CD ', 237.924, 246.601, 228.684], ['B', ' NE2', 237.131, 247.645, 228.48], ['B', ' OE1', 237.555, 245.447, 228.487]]
[['B', ' N ', 242.5, 244.728, 228.671], ['B', ' CA ', 243.506, 244.794, 227.617], ['B', ' C ', 243.44, 243.564, 226.725], ['B', ' O ', 243.549, 243.671, 225.5], ['B', ' CB ', 244.899, 244.939, 228.214], ['B', ' CG ', 245.264, 246.357, 228.571], ['B', ' CD ', 245.555, 247.208, 227.36], ['B', ' NE2', 244.609, 248.062, 226.999], ['B', ' OE1', 246.623, 247.113, 226.763]]
[['B', ' N ', 243.249, 242.387, 227.322], ['B', ' CA ', 243.189, 241.158, 226.539], ['B', ' C ', 242.028, 241.182, 225.556], ['B', ' O ', 242.169, 240.74, 224.412], ['B', ' CB ', 243.072, 239.952, 227.464], ['B', ' CG ', 244.369, 239.364, 228.005], ['B', ' CD1', 244.073, 238.395, 229.128], ['B', ' CD2', 245.109, 238.673, 226.889]]
[['B', ' N ', 240.865, 241.673, 225.986], ['B', ' CA ', 239.729, 241.735, 225.067], ['B', ' C ', 239.944, 242.807, 224.005], ['B', ' O ', 239.672, 242.583, 222.82], ['B', ' CB ', 238.409, 241.954, 225.823], ['B', ' CG1', 238.072, 240.736, 226.667], ['B', ' CG2', 237.289, 242.194, 224.859], ['B', ' CD1', 236.904, 240.957, 227.573]]
[['B', ' N ', 240.426, 243.984, 224.401], ['B', ' CA ', 240.626, 245.083, 223.466], ['B', ' C ', 241.71, 244.797, 222.44], ['B', ' O ', 241.67, 245.366, 221.346], ['B', ' CB ', 240.953, 246.365, 224.239], ['B', ' CG ', 241.235, 247.574, 223.373], ['B', ' CD ', 241.418, 248.836, 224.194], ['B', ' NE ', 240.154, 249.336, 224.717], ['B', ' CZ ', 239.87, 249.444, 226.009], ['B', ' NH1', 240.765, 249.093, 226.918], ['B', ' NH2', 238.693, 249.914, 226.391]]
[['B', ' N ', 242.653, 243.913, 222.746], ['B', ' CA ', 243.704, 243.546, 221.81], ['B', ' C ', 243.26, 242.508, 220.797], ['B', ' O ', 244.071, 242.092, 219.967], ['B', ' CB ', 244.922, 243.021, 222.565]]
[['B', ' N ', 242.008, 242.064, 220.855], ['B', ' CA ', 241.468, 241.159, 219.853], ['B', ' C ', 240.871, 241.884, 218.66], ['B', ' O ', 241.108, 241.472, 217.523], ['B', ' CB ', 240.405, 240.254, 220.474]]
[['B', ' N ', 240.113, 242.958, 218.875], ['B', ' CA ', 239.614, 243.732, 217.747], ['B', ' C ', 240.729, 244.437, 216.994], ['B', ' O ', 240.628, 244.608, 215.772], ['B', ' CB ', 238.573, 244.75, 218.215], ['B', ' CG ', 239.121, 245.918, 219.01], ['B', ' CD ', 238.038, 246.663, 219.773], ['B', ' OE1', 236.897, 246.16, 219.838], ['B', ' OE2', 238.328, 247.751, 220.309]]
[['B', ' N ', 241.797, 244.834, 217.685], ['B', ' CA ', 242.93, 245.436, 216.998], ['B', ' C ', 243.563, 244.434, 216.051], ['B', ' O ', 243.887, 244.763, 214.906], ['B', ' CB ', 243.946, 245.978, 218.012], ['B', ' CG1', 243.46, 247.306, 218.58], ['B', ' CG2', 245.286, 246.16, 217.361], ['B', ' CD1', 243.44, 248.416, 217.577]]
[['B', ' N ', 243.74, 243.194, 216.499], ['B', ' CA ', 244.239, 242.163, 215.603], ['B', ' C ', 243.247, 241.827, 214.504], ['B', ' O ', 243.669, 241.515, 213.389], ['B', ' CB ', 244.593, 240.91, 216.396], ['B', ' CG ', 244.83, 239.685, 215.556], ['B', ' CD ', 245.242, 238.526, 216.432], ['B', ' NE ', 244.192, 238.158, 217.371], ['B', ' CZ ', 244.383, 237.387, 218.431], ['B', ' NH1', 245.588, 236.905, 218.69], ['B', ' NH2', 243.37, 237.103, 219.234]]
[['B', ' N ', 241.949, 241.895, 214.782], ['B', ' CA ', 240.957, 241.681, 213.74], ['B', ' C ', 241.047, 242.719, 212.637], ['B', ' O ', 240.83, 242.382, 211.471], ['B', ' CB ', 239.552, 241.688, 214.337]]
[['B', ' N ', 241.348, 243.968, 212.981], ['B', ' CA ', 241.588, 245.005, 211.988], ['B', ' C ', 242.954, 244.902, 211.325], ['B', ' O ', 243.08, 245.24, 210.144], ['B', ' CB ', 241.446, 246.392, 212.62], ['B', ' OG ', 242.065, 246.42, 213.891]]
[['B', ' N ', 243.974, 244.452, 212.044], ['B', ' CA ', 245.28, 244.219, 211.451], ['B', ' C ', 245.276, 243.079, 210.45], ['B', ' O ', 246.027, 243.134, 209.475], ['B', ' CB ', 246.312, 243.925, 212.537]]
[['B', ' N ', 244.458, 242.051, 210.67], ['B', ' CA ', 244.288, 240.979, 209.703], ['B', ' C ', 243.465, 241.398, 208.501], ['B', ' O ', 243.552, 240.751, 207.457], ['B', ' CB ', 243.616, 239.766, 210.352], ['B', ' CG ', 244.578, 238.928, 211.155], ['B', ' ND2', 244.087, 238.341, 212.237], ['B', ' OD1', 245.746, 238.791, 210.8]]
[['B', ' N ', 242.657, 242.441, 208.631], ['B', ' CA ', 241.974, 243.025, 207.491], ['B', ' C ', 242.875, 243.941, 206.687], ['B', ' O ', 242.766, 243.967, 205.461], ['B', ' CB ', 240.745, 243.804, 207.951], ['B', ' CG ', 239.983, 244.537, 206.855], ['B', ' CD1', 239.432, 243.539, 205.869], ['B', ' CD2', 238.867, 245.359, 207.461]]
[['B', ' N ', 243.764, 244.679, 207.342], ['B', ' CA ', 244.735, 245.492, 206.623], ['B', ' C ', 245.672, 244.658, 205.767], ['B', ' O ', 245.966, 245.042, 204.633], ['B', ' CB ', 245.555, 246.331, 207.6]]
[['B', ' N ', 246.135, 243.518, 206.277], ['B', ' CA ', 247.031, 242.668, 205.502], ['B', ' C ', 246.363, 242.15, 204.237], ['B', ' O ', 246.975, 242.156, 203.165], ['B', ' CB ', 247.52, 241.507, 206.36]]
[['B', ' N ', 245.113, 241.704, 204.329], ['B', ' CA ', 244.426, 241.187, 203.153], ['B', ' C ', 243.826, 242.277, 202.286], ['B', ' O ', 243.441, 241.993, 201.15], ['B', ' CB ', 243.318, 240.221, 203.548], ['B', ' CG2', 243.821, 239.226, 204.567], ['B', ' OG1', 242.226, 240.956, 204.101]]
[['B', ' N ', 243.717, 243.503, 202.784], ['B', ' CA ', 243.36, 244.625, 201.936], ['B', ' C ', 244.574, 245.263, 201.292], ['B', ' O ', 244.42, 246.096, 200.399], ['B', ' CB ', 242.598, 245.684, 202.74], ['B', ' CG ', 241.62, 246.486, 201.917], ['B', ' CD ', 240.919, 247.52, 202.753], ['B', ' CE ', 240.183, 246.87, 203.893], ['B', ' NZ ', 239.188, 245.897, 203.396]]
[['B', ' N ', 245.771, 244.906, 201.739], ['B', ' CA ', 246.98, 245.429, 201.138], ['B', ' C ', 247.663, 244.423, 200.232], ['B', ' O ', 248.36, 244.827, 199.3], ['B', ' CB ', 247.939, 245.892, 202.239], ['B', ' CG ', 249.339, 246.213, 201.83], ['B', ' SD ', 249.779, 247.583, 202.901], ['B', ' CE ', 251.522, 247.703, 202.64]]
[['B', ' N ', 247.463, 243.128, 200.467], ['B', ' CA ', 247.856, 242.134, 199.478], ['B', ' C ', 247.041, 242.292, 198.207], ['B', ' O ', 247.58, 242.222, 197.1], ['B', ' CB ', 247.689, 240.728, 200.045], ['B', ' OG ', 248.604, 240.495, 201.098]]
[['B', ' N ', 245.739, 242.529, 198.346], ['B', ' CA ', 244.827, 242.459, 197.212], ['B', ' C ', 244.677, 243.787, 196.481], ['B', ' O ', 244.8, 243.829, 195.256], ['B', ' CB ', 243.463, 241.964, 197.682], ['B', ' CG ', 243.485, 240.531, 198.158], ['B', ' CD ', 242.139, 240.066, 198.633], ['B', ' OE1', 241.223, 240.905, 198.705], ['B', ' OE2', 241.992, 238.868, 198.938]]
[['B', ' N ', 244.397, 244.877, 197.2], ['B', ' CA ', 244.151, 246.146, 196.521], ['B', ' C ', 245.444, 246.746, 195.979], ['B', ' O ', 245.464, 247.3, 194.876], ['B', ' CB ', 243.451, 247.135, 197.455], ['B', ' SG ', 242.07, 246.494, 198.442]]
[['B', ' N ', 246.536, 246.652, 196.736], ['B', ' CA ', 247.788, 247.27, 196.305], ['B', ' C ', 248.489, 246.4, 195.269], ['B', ' O ', 248.67, 246.804, 194.116], ['B', ' CB ', 248.702, 247.54, 197.509], ['B', ' CG1', 250.074, 247.93, 197.04], ['B', ' CG2', 248.129, 248.639, 198.358]]
[['B', ' N ', 248.88, 245.19, 195.656], ['B', ' CA ', 249.691, 244.338, 194.796], ['B', ' C ', 248.893, 243.64, 193.71], ['B', ' O ', 249.401, 242.685, 193.12], ['B', ' CB ', 250.427, 243.28, 195.62], ['B', ' CG ', 251.678, 243.642, 196.421], ['B', ' CD1', 251.35, 244.485, 197.632], ['B', ' CD2', 252.422, 242.392, 196.834]]
[['B', ' N ', 247.671, 244.069, 193.432], ['B', ' CA ', 246.889, 243.433, 192.395], ['B', ' C ', 245.751, 244.294, 191.899], ['B', ' O ', 245.898, 245.509, 191.761]]
[['B', ' N ', 244.609, 243.677, 191.618], ['B', ' CA ', 243.438, 244.427, 191.176], ['B', ' C ', 242.219, 243.59, 191.522], ['B', ' O ', 241.886, 242.658, 190.787], ['B', ' CB ', 243.506, 244.709, 189.688], ['B', ' CG ', 242.493, 245.705, 189.199], ['B', ' CD ', 242.415, 245.726, 187.7], ['B', ' NE2', 241.852, 246.788, 187.149], ['B', ' OE1', 242.874, 244.8, 187.038]]
[['B', ' N ', 241.56, 243.923, 192.624], ['B', ' CA ', 240.47, 243.105, 193.12], ['B', ' C ', 239.218, 243.319, 192.289], ['B', ' O ', 238.892, 244.446, 191.915], ['B', ' CB ', 240.178, 243.44, 194.574], ['B', ' OG ', 239.594, 244.722, 194.659]]
[['B', ' N ', 238.514, 242.227, 192.001], ['B', ' CA ', 237.224, 242.301, 191.337], ['B', ' C ', 236.062, 242.139, 192.299], ['B', ' O ', 234.914, 242.08, 191.858], ['B', ' CB ', 237.13, 241.262, 190.226], ['B', ' CG ', 237.673, 241.753, 188.9], ['B', ' CD ', 237.273, 240.825, 187.773], ['B', ' CE ', 235.767, 240.804, 187.601], ['B', ' NZ ', 235.256, 242.125, 187.159]]
[['B', ' N ', 236.326, 242.068, 193.597], ['B', ' CA ', 235.246, 242.133, 194.566], ['B', ' C ', 234.632, 243.524, 194.546], ['B', ' O ', 235.28, 244.5, 194.169], ['B', ' CB ', 235.759, 241.806, 195.964], ['B', ' CG ', 236.836, 240.747, 195.997], ['B', ' CD ', 237.506, 240.712, 197.349], ['B', ' NE ', 236.558, 240.386, 198.406], ['B', ' CZ ', 236.877, 239.744, 199.522], ['B', ' NH1', 238.126, 239.363, 199.733], ['B', ' NH2', 235.95, 239.487, 200.43]]
[['B', ' N ', 233.374, 243.617, 194.951], ['B', ' CA ', 232.641, 244.877, 194.894], ['B', ' C ', 232.671, 245.552, 196.255], ['B', ' O ', 232.56, 244.894, 197.294], ['B', ' CB ', 231.198, 244.662, 194.418], ['B', ' CG1', 230.489, 245.989, 194.301], ['B', ' CG2', 231.2, 243.952, 193.086]]
[['B', ' N ', 232.847, 246.871, 196.246], ['B', ' CA ', 232.87, 247.735, 197.422], ['B', ' C ', 233.949, 247.355, 198.422], ['B', ' O ', 233.957, 247.879, 199.538], ['B', ' CB ', 231.511, 247.773, 198.13], ['B', ' CG ', 230.453, 248.54, 197.347], ['B', ' OD1', 230.688, 248.846, 196.161], ['B', ' OD2', 229.386, 248.842, 197.926]]
[['B', ' N ', 234.865, 246.461, 198.058], ['B', ' CA ', 235.941, 246.077, 198.967], ['B', ' C ', 237.025, 247.146, 199.018], ['B', ' O ', 237.292, 247.724, 200.076], ['B', ' CB ', 236.533, 244.737, 198.537], ['B', ' CG ', 237.53, 244.174, 199.502], ['B', ' CD1', 237.193, 243.964, 200.821], ['B', ' CD2', 238.799, 243.839, 199.085], ['B', ' CE1', 238.102, 243.44, 201.701], ['B', ' CE2', 239.708, 243.321, 199.962], ['B', ' CZ ', 239.36, 243.121, 201.271]]
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[['B', ' N ', 237.365, 249.473, 191.267], ['B', ' CA ', 238.704, 249.709, 191.783], ['B', ' C ', 239.753, 249.311, 190.762], ['B', ' O ', 239.657, 248.246, 190.15], ['B', ' CB ', 238.908, 248.917, 193.065], ['B', ' CG ', 240.341, 248.743, 193.445], ['B', ' CD2', 241.169, 249.521, 194.177], ['B', ' ND1', 241.073, 247.636, 193.084], ['B', ' CE1', 242.296, 247.745, 193.567], ['B', ' NE2', 242.38, 248.88, 194.235]]
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[['B', ' N ', 243.47, 250.956, 191.136], ['B', ' CA ', 244.803, 251.122, 191.71], ['B', ' C ', 244.65, 251.519, 193.17], ['B', ' O ', 243.539, 251.738, 193.652], ['B', ' CB ', 245.622, 252.155, 190.933], ['B', ' CG ', 246.314, 251.583, 189.717], ['B', ' SD ', 247.687, 252.518, 189.037], ['B', ' CE ', 248.572, 252.929, 190.52]]
[['B', ' N ', 245.77, 251.598, 193.883], ['B', ' CA ', 245.754, 252.066, 195.265], ['B', ' C ', 247.183, 252.251, 195.745], ['B', ' O ', 248.116, 251.634, 195.227], ['B', ' CB ', 245.015, 251.103, 196.188], ['B', ' OG ', 245.685, 249.863, 196.248]]
[['B', ' N ', 247.339, 253.107, 196.756], ['B', ' CA ', 248.633, 253.483, 197.289], ['B', ' C ', 248.564, 253.453, 198.809], ['B', ' O ', 247.613, 253.997, 199.388], ['B', ' CB ', 249.026, 254.876, 196.813], ['B', ' CG ', 248.753, 255.117, 195.368], ['B', ' CD1', 249.64, 254.686, 194.409], ['B', ' CD2', 247.606, 255.759, 194.967], ['B', ' CE1', 249.396, 254.905, 193.088], ['B', ' CE2', 247.358, 255.975, 193.645], ['B', ' CZ ', 248.254, 255.55, 192.704]]
[['B', ' N ', 249.532, 252.846, 199.482], ['B', ' CA ', 249.534, 252.851, 200.944], ['B', ' C ', 250.29, 254.037, 201.514], ['B', ' O ', 251.303, 254.484, 200.979], ['B', ' CB ', 250.249, 251.539, 201.278], ['B', ' CG ', 251.221, 251.39, 200.169], ['B', ' CD ', 250.579, 251.971, 198.939]]
[['B', ' N ', 249.774, 254.555, 202.622], ['B', ' CA ', 250.406, 255.672, 203.306], ['B', ' C ', 250.358, 255.398, 204.796], ['B', ' O ', 249.298, 255.061, 205.325], ['B', ' CB ', 249.708, 256.993, 202.984], ['B', ' CG ', 249.788, 257.399, 201.533], ['B', ' CD ', 251.205, 257.483, 201.033], ['B', ' NE2', 252.082, 258.055, 201.84], ['B', ' OE1', 251.511, 257.044, 199.93]]
[['B', ' N ', 251.491, 255.539, 205.468], ['B', ' CA ', 251.538, 255.185, 206.874], ['B', ' C ', 250.874, 256.263, 207.722], ['B', ' O ', 250.575, 257.361, 207.254], ['B', ' CB ', 252.976, 254.977, 207.324], ['B', ' OG ', 253.03, 254.801, 208.724]]
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[['B', ' N ', 250.363, 254.366, 214.364], ['B', ' CA ', 249.633, 253.148, 214.691], ['B', ' C ', 248.459, 252.96, 213.737], ['B', ' O ', 247.305, 252.842, 214.142], ['B', ' CB ', 249.156, 253.163, 216.141], ['B', ' CG ', 250.24, 253.441, 217.131], ['B', ' CD2', 250.231, 254.142, 218.288], ['B', ' ND1', 251.522, 252.96, 216.983], ['B', ' CE1', 252.258, 253.357, 218.005], ['B', ' NE2', 251.499, 254.077, 218.811]]
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[['B', ' N ', 246.937, 253.995, 205.847], ['B', ' CA ', 245.934, 254.701, 205.064], ['B', ' C ', 246.125, 254.353, 203.597], ['B', ' O ', 247.253, 254.374, 203.095], ['B', ' CB ', 246.03, 256.221, 205.271], ['B', ' CG1', 244.925, 256.918, 204.53], ['B', ' CG2', 245.971, 256.547, 206.741]]
[['B', ' N ', 245.033, 254.033, 202.914], ['B', ' CA ', 245.066, 253.727, 201.495], ['B', ' C ', 244.494, 254.891, 200.701], ['B', ' O ', 243.936, 255.834, 201.256], ['B', ' CB ', 244.292, 252.443, 201.208], ['B', ' CG ', 244.83, 251.237, 201.917], ['B', ' CD1', 245.884, 250.523, 201.39], ['B', ' CD2', 244.276, 250.815, 203.107], ['B', ' CE1', 246.373, 249.424, 202.039], ['B', ' CE2', 244.765, 249.714, 203.756], ['B', ' CZ ', 245.813, 249.018, 203.222]]
[['B', ' N ', 244.651, 254.83, 199.384], ['B', ' CA ', 244.179, 255.896, 198.505], ['B', ' C ', 243.497, 255.321, 197.268], ['B', ' O ', 243.822, 255.68, 196.138], ['B', ' CB ', 245.32, 256.825, 198.105], ['B', ' CG ', 246.046, 257.62, 199.185], ['B', ' CD1', 247.15, 258.433, 198.56], ['B', ' CD2', 245.087, 258.514, 199.921]]
[['B', ' N ', 242.551, 254.406, 197.478], ['B', ' CA ', 241.873, 253.695, 196.397], ['B', ' C ', 241.513, 254.607, 195.232], ['B', ' O ', 241.033, 255.723, 195.426], ['B', ' CB ', 240.602, 253.037, 196.931], ['B', ' CG ', 240.817, 252.207, 198.152], ['B', ' CD2', 240.016, 251.959, 199.212], ['B', ' ND1', 241.981, 251.509, 198.379], ['B', ' CE1', 241.887, 250.865, 199.527], ['B', ' NE2', 240.707, 251.126, 200.055]]
[['B', ' N ', 241.749, 254.116, 194.017], ['B', ' CA ', 241.353, 254.785, 192.784], ['B', ' C ', 240.282, 253.944, 192.113], ['B', ' O ', 240.452, 252.731, 191.956], ['B', ' CB ', 242.545, 254.982, 191.837], ['B', ' CG1', 242.099, 255.686, 190.586], ['B', ' CG2', 243.632, 255.752, 192.522]]
[['B', ' N ', 239.183, 254.578, 191.712], ['B', ' CA ', 238.047, 253.873, 191.139], ['B', ' C ', 237.64, 254.526, 189.827], ['B', ' O ', 238.186, 255.551, 189.423], ['B', ' CB ', 236.87, 253.844, 192.115], ['B', ' CG2', 237.194, 252.96, 193.301], ['B', ' OG1', 236.606, 255.17, 192.579]]
[['B', ' N ', 236.655, 253.926, 189.163], ['B', ' CA ', 236.183, 254.358, 187.848], ['B', ' C ', 234.66, 254.401, 187.896], ['B', ' O ', 233.994, 253.39, 187.68], ['B', ' CB ', 236.683, 253.424, 186.767], ['B', ' CG ', 236.081, 253.672, 185.413], ['B', ' CD1', 236.625, 254.602, 184.559], ['B', ' CD2', 234.985, 252.96, 184.981], ['B', ' CE1', 236.088, 254.825, 183.326], ['B', ' CE2', 234.439, 253.182, 183.752], ['B', ' CZ ', 234.995, 254.116, 182.93], ['B', ' OH ', 234.446, 254.331, 181.696]]
[['B', ' N ', 234.107, 255.569, 188.186], ['B', ' CA ', 232.668, 255.745, 188.35], ['B', ' C ', 232.123, 256.363, 187.069], ['B', ' O ', 232.511, 257.489, 186.731], ['B', ' CB ', 232.35, 256.631, 189.559], ['B', ' CG1', 230.882, 257.001, 189.564], ['B', ' CG2', 232.734, 255.929, 190.839]]
[['B', ' N ', 231.252, 255.684, 186.337], ['B', ' CA ', 230.679, 256.296, 185.133], ['B', ' C ', 229.84, 257.524, 185.443], ['B', ' O ', 229.632, 257.872, 186.607], ['B', ' CB ', 229.836, 255.17, 184.528], ['B', ' CG ', 229.786, 254.101, 185.539], ['B', ' CD ', 230.972, 254.247, 186.412]]
[['B', ' N ', 229.34, 258.175, 184.398], ['B', ' CA ', 228.818, 259.535, 184.476], ['B', ' C ', 227.684, 259.717, 183.48], ['B', ' O ', 226.995, 258.749, 183.15], ['B', ' CB ', 229.918, 260.561, 184.229]]
[['B', ' N ', 227.465, 260.959, 183.041], ['B', ' CA ', 226.316, 261.369, 182.24], ['B', ' C ', 225.823, 260.274, 181.31], ['B', ' O ', 226.597, 259.718, 180.529], ['B', ' CB ', 226.678, 262.593, 181.404], ['B', ' CG ', 227.168, 263.771, 182.204], ['B', ' CD ', 228.41, 264.38, 181.6], ['B', ' NE2', 229.034, 265.295, 182.327], ['B', ' OE1', 228.804, 264.035, 180.486]]
[['B', ' N ', 224.535, 259.971, 181.386], ['B', ' CA ', 223.954, 258.807, 180.742], ['B', ' C ', 223.163, 259.202, 179.505], ['B', ' O ', 222.973, 260.377, 179.191], ['B', ' CB ', 223.04, 258.069, 181.717], ['B', ' CG ', 223.768, 257.328, 182.808], ['B', ' CD ', 222.894, 257.098, 184.025], ['B', ' OE1', 221.817, 257.726, 184.113], ['B', ' OE2', 223.281, 256.295, 184.898]]
[['B', ' N ', 222.702, 258.182, 178.799], ['B', ' CA ', 221.739, 258.311, 177.722], ['B', ' C ', 220.819, 257.106, 177.835], ['B', ' O ', 221.024, 256.238, 178.684], ['B', ' CB ', 222.447, 258.399, 176.365], ['B', ' CG ', 221.593, 258.91, 175.216], ['B', ' CD ', 221.374, 260.41, 175.298], ['B', ' CE ', 220.62, 260.92, 174.08], ['B', ' NZ ', 220.312, 262.372, 174.175]]
[['B', ' N ', 219.79, 257.04, 177.002], ['B', ' CA ', 218.929, 255.868, 177.008], ['B', ' C ', 218.683, 255.418, 175.581], ['B', ' O ', 218.47, 256.246, 174.692], ['B', ' CB ', 217.605, 256.144, 177.723], ['B', ' CG ', 216.992, 257.459, 177.318], ['B', ' ND2', 215.878, 257.815, 177.952], ['B', ' OD1', 217.513, 258.155, 176.448]]
[['B', ' N ', 218.716, 254.107, 175.367], ['B', ' CA ', 218.615, 253.54, 174.033], ['B', ' C ', 217.666, 252.355, 174.032], ['B', ' O ', 217.629, 251.58, 174.988], ['B', ' CB ', 219.979, 253.074, 173.523], ['B', ' CG ', 221.031, 254.14, 173.522], ['B', ' CD1', 220.948, 255.213, 172.661], ['B', ' CD2', 222.112, 254.056, 174.368], ['B', ' CE1', 221.915, 256.182, 172.656], ['B', ' CE2', 223.079, 255.019, 174.365], ['B', ' CZ ', 222.982, 256.084, 173.51]]
[['B', ' N ', 216.91, 252.212, 172.952], ['B', ' CA ', 216.211, 250.964, 172.704], ['B', ' C ', 217.228, 249.868, 172.429], ['B', ' O ', 218.285, 250.113, 171.848], ['B', ' CB ', 215.271, 251.114, 171.516], ['B', ' CG2', 214.285, 249.975, 171.468], ['B', ' OG1', 214.557, 252.347, 171.633]]
[['B', ' N ', 216.913, 248.648, 172.847], ['B', ' CA ', 217.855, 247.548, 172.722], ['B', ' C ', 217.153, 246.312, 172.179], ['B', ' O ', 215.937, 246.293, 171.978], ['B', ' CB ', 218.514, 247.235, 174.063], ['B', ' CG2', 217.47, 246.881, 175.073], ['B', ' OG1', 219.396, 246.123, 173.904]]
[['B', ' N ', 217.939, 245.264, 171.939], ['B', ' CA ', 217.411, 244.019, 171.41], ['B', ' C ', 218.307, 242.887, 171.86], ['B', ' O ', 219.533, 243.03, 171.791], ['B', ' CB ', 217.34, 244.048, 169.884]]
[['B', ' N ', 217.755, 241.764, 172.322], ['B', ' CA ', 218.612, 240.631, 172.676], ['B', ' C ', 219.314, 239.986, 171.492], ['B', ' O ', 220.32, 239.297, 171.704], ['B', ' CB ', 217.635, 239.656, 173.339], ['B', ' CG ', 216.351, 239.96, 172.72], ['B', ' CD ', 216.336, 241.445, 172.506]]
[['B', ' N ', 218.84, 240.186, 170.262], ['B', ' CA ', 219.475, 239.57, 169.105], ['B', ' C ', 218.96, 240.219, 167.828], ['B', ' O ', 217.808, 240.636, 167.761], ['B', ' CB ', 219.208, 238.065, 169.075]]
[['B', ' N ', 219.836, 240.32, 166.833], ['B', ' CA ', 219.48, 240.72, 165.476], ['B', ' C ', 218.96, 239.481, 164.761], ['B', ' O ', 219.038, 238.378, 165.304], ['B', ' CB ', 220.691, 241.336, 164.754], ['B', ' CG1', 221.358, 242.36, 165.655], ['B', ' CG2', 220.285, 242.056, 163.503], ['B', ' CD1', 220.467, 243.517, 165.999]]
[['B', ' N ', 218.404, 239.639, 163.563], ['B', ' CA ', 217.932, 238.498, 162.776], ['B', ' C ', 218.224, 238.762, 161.303], ['B', ' O ', 217.461, 239.46, 160.633], ['B', ' CB ', 216.447, 238.266, 163.011], ['B', ' SG ', 215.738, 236.835, 162.188]]
[['B', ' N ', 219.31, 238.188, 160.793], ['B', ' CA ', 219.719, 238.382, 159.407], ['B', ' C ', 219.646, 237.062, 158.657], ['B', ' O ', 220.399, 236.131, 158.962], ['B', ' CB ', 221.132, 238.95, 159.322], ['B', ' CG ', 221.529, 239.361, 157.941], ['B', ' CD2', 222.729, 239.349, 157.317], ['B', ' ND1', 220.63, 239.878, 157.035], ['B', ' CE1', 221.259, 240.161, 155.909], ['B', ' NE2', 222.533, 239.847, 156.053]]
[['B', ' N ', 218.756, 236.993, 157.667], ['B', ' CA ', 218.589, 235.814, 156.82], ['B', ' C ', 218.309, 234.565, 157.657], ['B', ' O ', 219.062, 233.593, 157.651], ['B', ' CB ', 219.812, 235.611, 155.919], ['B', ' CG ', 219.818, 236.544, 154.724], ['B', ' OD1', 218.872, 237.346, 154.593], ['B', ' OD2', 220.768, 236.473, 153.916]]
[['B', ' N ', 217.207, 234.617, 158.395], ['B', ' CA ', 216.709, 233.441, 159.076], ['B', ' C ', 217.34, 233.124, 160.414], ['B', ' O ', 216.685, 232.535, 161.275]]
[['B', ' N ', 218.601, 233.489, 160.61], ['B', ' CA ', 219.291, 233.144, 161.84], ['B', ' C ', 219.261, 234.32, 162.812], ['B', ' O ', 218.702, 235.379, 162.525], ['B', ' CB ', 220.713, 232.69, 161.529], ['B', ' CG ', 220.767, 231.594, 160.474], ['B', ' CD ', 221.943, 230.65, 160.68], ['B', ' CE ', 222.464, 230.107, 159.36], ['B', ' NZ ', 223.283, 231.111, 158.625]]
[['B', ' N ', 219.866, 234.139, 163.986], ['B', ' CA ', 219.785, 235.13, 165.061], ['B', ' C ', 221.196, 235.437, 165.545], ['B', ' O ', 221.829, 234.604, 166.193], ['B', ' CB ', 218.914, 234.635, 166.205]]
[['B', ' N ', 221.668, 236.64, 165.253], ['B', ' CA ', 223.041, 237.027, 165.549], ['B', ' C ', 223.125, 237.596, 166.955], ['B', ' O ', 222.797, 238.757, 167.186], ['B', ' CB ', 223.526, 238.042, 164.526], ['B', ' CG ', 223.507, 237.535, 163.125], ['B', ' CD2', 222.523, 237.511, 162.2], ['B', ' ND1', 224.603, 236.951, 162.533], ['B', ' CE1', 224.298, 236.595, 161.3], ['B', ' NE2', 223.04, 236.922, 161.073]]
[['B', ' N ', 223.591, 236.792, 167.9], ['B', ' CA ', 223.828, 237.294, 169.239], ['B', ' C ', 225.096, 238.144, 169.271], ['B', ' O ', 225.983, 237.978, 168.437], ['B', ' CB ', 223.947, 236.135, 170.216], ['B', ' CG ', 222.659, 235.436, 170.477], ['B', ' CD1', 221.754, 235.95, 171.368], ['B', ' CD2', 222.361, 234.26, 169.84], ['B', ' CE1', 220.577, 235.308, 171.61], ['B', ' CE2', 221.184, 233.617, 170.083], ['B', ' CZ ', 220.291, 234.139, 170.97]]
[['B', ' N ', 225.215, 239.059, 170.236], ['B', ' CA ', 226.402, 239.916, 170.29], ['B', ' C ', 227.534, 239.284, 171.074], ['B', ' O ', 227.308, 238.783, 172.176], ['B', ' CB ', 225.888, 241.175, 170.991], ['B', ' CG ', 224.664, 240.742, 171.733], ['B', ' CD ', 224.316, 239.334, 171.362]]
[['B', ' N ', 228.751, 239.315, 170.529], ['B', ' CA ', 229.865, 238.615, 171.159], ['B', ' C ', 230.078, 239.092, 172.588], ['B', ' O ', 229.889, 238.335, 173.544], ['B', ' CB ', 231.135, 238.804, 170.337], ['B', ' CG ', 232.302, 237.989, 170.828], ['B', ' CD ', 233.243, 237.663, 169.692], ['B', ' NE ', 232.909, 236.389, 169.068], ['B', ' CZ ', 233.318, 236.024, 167.86], ['B', ' NH1', 234.075, 236.84, 167.143], ['B', ' NH2', 232.968, 234.845, 167.369]]
[['B', ' N ', 230.459, 240.354, 172.754], ['B', ' CA ', 230.597, 240.924, 174.094], ['B', ' C ', 230.176, 242.39, 174.001], ['B', ' O ', 230.98, 243.263, 173.672], ['B', ' CB ', 232.011, 240.772, 174.628], ['B', ' CG ', 232.096, 240.778, 176.146], ['B', ' CD ', 231.597, 239.486, 176.771], ['B', ' OE1', 230.445, 239.464, 177.252], ['B', ' OE2', 232.357, 238.495, 176.787]]
[['B', ' N ', 228.908, 242.641, 174.296], ['B', ' CA ', 228.36, 243.971, 174.165], ['B', ' C ', 226.849, 243.93, 174.241], ['B', ' O ', 226.254, 242.93, 174.643]]
[['B', ' N ', 226.242, 245.047, 173.861], ['B', ' CA ', 224.795, 245.176, 173.816], ['B', ' C ', 224.421, 245.882, 172.525], ['B', ' O ', 225.004, 246.915, 172.188], ['B', ' CB ', 224.256, 245.946, 175.033], ['B', ' CG1', 224.364, 245.104, 176.27], ['B', ' CG2', 225.034, 247.216, 175.234]]
[['B', ' N ', 223.477, 245.313, 171.787], ['B', ' CA ', 222.903, 246.032, 170.666], ['B', ' C ', 222.085, 247.2, 171.191], ['B', ' O ', 221.347, 247.066, 172.167], ['B', ' CB ', 222.016, 245.114, 169.832], ['B', ' CG ', 222.757, 244.023, 169.137], ['B', ' CD1', 223.833, 244.305, 168.339], ['B', ' CD2', 222.368, 242.711, 169.278], ['B', ' CE1', 224.512, 243.298, 167.697], ['B', ' CE2', 223.042, 241.705, 168.64], ['B', ' CZ ', 224.113, 241.998, 167.85]]
[['B', ' N ', 222.226, 248.357, 170.548], ['B', ' CA ', 221.461, 249.548, 170.886], ['B', ' C ', 221.09, 250.256, 169.593], ['B', ' O ', 221.58, 249.918, 168.516], ['B', ' CB ', 222.229, 250.496, 171.82], ['B', ' CG1', 222.353, 249.893, 173.193], ['B', ' CG2', 223.595, 250.761, 171.259]]
[['B', ' N ', 220.21, 251.249, 169.705], ['B', ' CA ', 219.682, 251.928, 168.53], ['B', ' C ', 219.593, 253.421, 168.794], ['B', ' O ', 219.928, 253.904, 169.877], ['B', ' CB ', 218.309, 251.382, 168.139], ['B', ' OG ', 217.296, 251.93, 168.953]]
[['B', ' N ', 219.139, 254.157, 167.777], ['B', ' CA ', 218.896, 255.589, 167.884], ['B', ' C ', 217.58, 256.037, 167.28], ['B', ' O ', 217.197, 257.193, 167.479], ['B', ' CB ', 220.014, 256.384, 167.208], ['B', ' CG ', 221.33, 256.182, 167.869], ['B', ' ND2', 221.432, 256.611, 169.119], ['B', ' OD1', 222.251, 255.628, 167.28]]
[['B', ' N ', 216.888, 255.178, 166.549], ['B', ' CA ', 215.674, 255.56, 165.869], ['B', ' C ', 215.696, 255.022, 164.459], ['B', ' O ', 214.655, 254.669, 163.898]]
[['B', ' N ', 216.882, 254.949, 163.885], ['B', ' CA ', 217.074, 254.413, 162.544], ['B', ' C ', 218.171, 253.364, 162.475], ['B', ' O ', 218.016, 252.366, 161.77], ['B', ' CB ', 217.389, 255.557, 161.566], ['B', ' CG2', 217.6, 255.023, 160.163], ['B', ' OG1', 216.301, 256.487, 161.552]]
[['B', ' N ', 219.261, 253.551, 163.2], ['B', ' CA ', 220.434, 252.704, 163.09], ['B', ' C ', 220.482, 251.724, 164.257], ['B', ' O ', 219.669, 251.776, 165.179], ['B', ' CB ', 221.701, 253.559, 163.05], ['B', ' CG ', 221.68, 254.629, 162.004], ['B', ' CD2', 221.619, 254.558, 160.654], ['B', ' ND1', 221.743, 255.97, 162.314], ['B', ' CE1', 221.713, 256.68, 161.201], ['B', ' NE2', 221.64, 255.847, 160.179]]
[['B', ' N ', 221.451, 250.816, 164.201], ['B', ' CA ', 221.768, 249.938, 165.313], ['B', ' C ', 223.277, 249.767, 165.367], ['B', ' O ', 223.972, 249.941, 164.365], ['B', ' CB ', 221.095, 248.572, 165.184], ['B', ' CG ', 219.604, 248.595, 165.237], ['B', ' CD1', 218.759, 249.034, 164.269], ['B', ' CD2', 218.778, 248.126, 166.305], ['B', ' CE2', 217.448, 248.325, 165.92], ['B', ' CE3', 219.038, 247.563, 167.551], ['B', ' NE1', 217.459, 248.88, 164.671], ['B', ' CZ2', 216.387, 247.984, 166.73], ['B', ' CZ3', 217.983, 247.231, 168.353], ['B', ' CH2', 216.676, 247.44, 167.943]]
[['B', ' N ', 223.782, 249.417, 166.546], ['B', ' CA ', 225.216, 249.335, 166.773], ['B', ' C ', 225.489, 248.226, 167.776], ['B', ' O ', 224.583, 247.507, 168.193], ['B', ' CB ', 225.76, 250.672, 167.269], ['B', ' CG ', 225.444, 251.829, 166.368], ['B', ' CD1', 226.036, 251.937, 165.128], ['B', ' CD2', 224.561, 252.809, 166.762], ['B', ' CE1', 225.753, 252.989, 164.298], ['B', ' CE2', 224.281, 253.866, 165.935], ['B', ' CZ ', 224.875, 253.955, 164.703]]
[['B', ' N ', 226.752, 248.082, 168.163], ['B', ' CA ', 227.104, 247.144, 169.22], ['B', ' C ', 228.197, 247.729, 170.109], ['B', ' O ', 229.376, 247.754, 169.752], ['B', ' CB ', 227.47, 245.769, 168.622], ['B', ' CG1', 228.71, 245.829, 167.756], ['B', ' CG2', 227.658, 244.746, 169.721]]
[['B', ' N ', 227.805, 248.215, 171.28], ['B', ' CA ', 228.692, 248.96, 172.155], ['B', ' C ', 229.177, 248.085, 173.299], ['B', ' O ', 228.812, 246.919, 173.427], ['B', ' CB ', 227.985, 250.187, 172.72], ['B', ' CG2', 227.485, 251.054, 171.602], ['B', ' OG1', 226.861, 249.766, 173.497]]
[['B', ' N ', 229.998, 248.67, 174.157], ['B', ' CA ', 230.456, 247.993, 175.359], ['B', ' C ', 229.438, 248.225, 176.464], ['B', ' O ', 228.3, 248.627, 176.221], ['B', ' CB ', 231.839, 248.488, 175.765], ['B', ' CG ', 232.803, 248.652, 174.626], ['B', ' CD ', 233.783, 249.757, 174.89], ['B', ' NE2', 234.418, 250.247, 173.84], ['B', ' OE1', 233.95, 250.185, 176.025]]
[['B', ' N ', 229.836, 247.957, 177.699], ['B', ' CA ', 229.007, 248.218, 178.864], ['B', ' C ', 229.175, 249.626, 179.399], ['B', ' O ', 228.194, 250.354, 179.553], ['B', ' CB ', 229.38, 247.263, 179.988], ['B', ' CG ', 229.173, 245.832, 179.68], ['B', ' CD ', 227.759, 245.401, 179.799], ['B', ' NE ', 227.707, 244.047, 179.292], ['B', ' CZ ', 227.004, 243.077, 179.847], ['B', ' NH1', 226.294, 243.32, 180.942], ['B', ' NH2', 227.041, 241.864, 179.318]]
[['B', ' N ', 230.412, 250.007, 179.698], ['B', ' CA ', 230.72, 251.164, 180.517], ['B', ' C ', 231.182, 252.354, 179.698], ['B', ' O ', 231.747, 253.298, 180.255], ['B', ' CB ', 231.779, 250.781, 181.541], ['B', ' CG ', 231.461, 249.475, 182.223], ['B', ' ND2', 232.485, 248.677, 182.482], ['B', ' OD1', 230.302, 249.175, 182.493]]
[['B', ' N ', 230.972, 252.324, 178.392], ['B', ' CA ', 231.277, 253.456, 177.535], ['B', ' C ', 230.409, 253.324, 176.296], ['B', ' O ', 229.835, 252.268, 176.03], ['B', ' CB ', 232.76, 253.508, 177.177], ['B', ' CG ', 233.283, 254.89, 176.975], ['B', ' CD1', 233.622, 255.673, 178.053], ['B', ' CD2', 233.442, 255.402, 175.707], ['B', ' CE1', 234.101, 256.938, 177.871], ['B', ' CE2', 233.92, 256.668, 175.52], ['B', ' CZ ', 234.249, 257.437, 176.602]]
[['B', ' N ', 230.311, 254.409, 175.543], ['B', ' CA ', 229.515, 254.432, 174.325], ['B', ' C ', 230.45, 254.682, 173.148], ['B', ' O ', 230.633, 255.823, 172.72], ['B', ' CB ', 228.441, 255.483, 174.407], ['B', ' CG ', 227.573, 255.559, 173.184], ['B', ' CD1', 226.868, 254.458, 172.745], ['B', ' CD2', 227.474, 256.729, 172.458], ['B', ' CE1', 226.078, 254.524, 171.624], ['B', ' CE2', 226.691, 256.804, 171.335], ['B', ' CZ ', 225.996, 255.7, 170.924], ['B', ' OH ', 225.213, 255.78, 169.804]]
[['B', ' N ', 231.048, 253.612, 172.635], ['B', ' CA ', 231.678, 253.62, 171.317], ['B', ' C ', 230.909, 252.651, 170.439], ['B', ' O ', 231.099, 251.428, 170.547], ['B', ' CB ', 233.155, 253.239, 171.376], ['B', ' CG ', 234.09, 254.438, 171.472], ['B', ' CD ', 235.558, 254.058, 171.517], ['B', ' OE1', 235.866, 252.85, 171.491], ['B', ' OE2', 236.407, 254.972, 171.565]]
[['B', ' N ', 230.031, 253.132, 169.581], ['B', ' CA ', 229.229, 252.231, 168.755], ['B', ' C ', 229.888, 251.847, 167.444], ['B', ' O ', 230.068, 252.697, 166.569], ['B', ' CB ', 227.964, 253.051, 168.509], ['B', ' CG ', 228.402, 254.485, 168.64], ['B', ' CD ', 229.766, 254.537, 169.258]]
[['B', ' N ', 230.213, 250.574, 167.273], ['B', ' CA ', 230.736, 250.083, 166.01], ['B', ' C ', 229.566, 249.756, 165.09], ['B', ' O ', 228.426, 250.136, 165.352], ['B', ' CB ', 231.635, 248.875, 166.242], ['B', ' CG ', 233.041, 249.224, 166.66], ['B', ' CD ', 233.095, 249.799, 168.047], ['B', ' NE2', 232.563, 249.064, 169.011], ['B', ' OE1', 233.602, 250.899, 168.253]]
[['B', ' N ', 229.827, 249.049, 163.998], ['B', ' CA ', 228.78, 248.594, 163.093], ['B', ' C ', 228.716, 247.077, 163.152], ['B', ' O ', 229.751, 246.406, 163.199], ['B', ' CB ', 229.012, 249.087, 161.654], ['B', ' CG1', 228.568, 250.536, 161.53], ['B', ' CG2', 228.243, 248.249, 160.666], ['B', ' CD1', 227.09, 250.719, 161.74]]
[['B', ' N ', 227.496, 246.543, 163.168], ['B', ' CA ', 227.261, 245.111, 163.326], ['B', ' C ', 227.853, 244.399, 162.119], ['B', ' O ', 227.403, 244.605, 160.99], ['B', ' CB ', 225.771, 244.8, 163.455], ['B', ' CG1', 225.15, 245.594, 164.59], ['B', ' CG2', 225.587, 243.342, 163.748], ['B', ' CD1', 223.652, 245.576, 164.56]]
[['B', ' N ', 228.859, 243.564, 162.346], ['B', ' CA ', 229.437, 242.733, 161.305], ['B', ' C ', 229.589, 241.321, 161.839], ['B', ' O ', 229.453, 241.074, 163.038], ['B', ' CB ', 230.799, 243.255, 160.841], ['B', ' CG2', 230.726, 244.719, 160.474], ['B', ' OG1', 231.754, 243.082, 161.891]]
[['B', ' N ', 229.9, 240.382, 160.946], ['B', ' CA ', 230.191, 239.032, 161.41], ['B', ' C ', 231.626, 238.982, 161.905], ['B', ' O ', 232.394, 238.081, 161.559], ['B', ' CB ', 229.97, 238.0, 160.308], ['B', ' CG2', 228.587, 238.151, 159.715], ['B', ' OG1', 230.949, 238.18, 159.28]]
[['B', ' N ', 231.981, 239.965, 162.713], ['B', ' CA ', 233.16, 239.921, 163.552], ['B', ' C ', 232.844, 240.461, 164.935], ['B', ' O ', 233.722, 240.453, 165.802], ['B', ' CB ', 234.312, 240.72, 162.923], ['B', ' CG ', 235.069, 239.967, 161.872], ['B', ' CD2', 236.246, 239.3, 161.927], ['B', ' ND1', 234.627, 239.856, 160.572], ['B', ' CE1', 235.495, 239.146, 159.873], ['B', ' NE2', 236.487, 238.797, 160.671]]
[['B', ' N ', 231.62, 240.931, 165.16], ['B', ' CA ', 231.139, 241.306, 166.474], ['B', ' C ', 230.062, 240.369, 166.998], ['B', ' O ', 229.704, 240.466, 168.173], ['B', ' CB ', 230.574, 242.734, 166.453], ['B', ' CG ', 231.641, 243.793, 166.268], ['B', ' ND2', 232.541, 243.901, 167.235], ['B', ' OD1', 231.645, 244.519, 165.278]]
[['B', ' N ', 229.526, 239.482, 166.163], ['B', ' CA ', 228.365, 238.675, 166.511], ['B', ' C ', 228.61, 237.219, 166.147], ['B', ' O ', 229.278, 236.934, 165.149], ['B', ' CB ', 227.12, 239.176, 165.78], ['B', ' CG2', 226.991, 240.676, 165.9], ['B', ' OG1', 227.209, 238.826, 164.395]]
[['B', ' N ', 228.064, 236.299, 166.94], ['B', ' CA ', 228.144, 234.874, 166.646], ['B', ' C ', 226.751, 234.3, 166.439], ['B', ' O ', 225.848, 234.545, 167.241], ['B', ' CB ', 228.871, 234.112, 167.755], ['B', ' CG ', 228.138, 234.068, 169.064], ['B', ' CD1', 228.301, 235.071, 169.995], ['B', ' CD2', 227.318, 233.005, 169.38], ['B', ' CE1', 227.643, 235.024, 171.205], ['B', ' CE2', 226.662, 232.957, 170.585], ['B', ' CZ ', 226.826, 233.966, 171.497]]
[['B', ' N ', 226.583, 233.539, 165.362], ['B', ' CA ', 225.293, 232.94, 165.055], ['B', ' C ', 225.08, 231.704, 165.915], ['B', ' O ', 226.026, 230.961, 166.208], ['B', ' CB ', 225.22, 232.589, 163.563], ['B', ' CG1', 223.81, 232.276, 163.181], ['B', ' CG2', 225.761, 233.728, 162.732]]
[['B', ' N ', 223.835, 231.474, 166.335], ['B', ' CA ', 223.511, 230.285, 167.116], ['B', ' C ', 222.488, 229.392, 166.428], ['B', ' O ', 222.762, 228.208, 166.209], ['B', ' CB ', 222.992, 230.691, 168.493], ['B', ' OG ', 221.718, 231.284, 168.359]]
[['B', ' N ', 221.317, 229.92, 166.079], ['B', ' CA ', 220.238, 229.092, 165.576], ['B', ' C ', 219.26, 229.836, 164.694], ['B', ' O ', 219.669, 230.638, 163.854]]
[['B', ' N ', 217.967, 229.579, 164.869], ['B', ' CA ', 216.917, 230.204, 164.079], ['B', ' C ', 216.305, 231.381, 164.828], ['B', ' O ', 216.738, 231.759, 165.919], ['B', ' CB ', 215.837, 229.192, 163.694], ['B', ' CG ', 216.321, 228.186, 162.679], ['B', ' ND2', 215.946, 226.927, 162.867], ['B', ' OD1', 217.02, 228.536, 161.73]]
[['B', ' N ', 215.26, 231.944, 164.228], ['B', ' CA ', 214.771, 233.267, 164.583], ['B', ' C ', 213.336, 233.223, 165.086], ['B', ' O ', 212.506, 234.036, 164.67], ['B', ' CB ', 214.879, 234.187, 163.365], ['B', ' SG ', 214.652, 235.951, 163.658]]
[['B', ' N ', 213.022, 232.277, 165.944], ['B', ' CA ', 211.688, 232.271, 166.533], ['B', ' C ', 211.701, 232.116, 168.045], ['B', ' O ', 210.853, 232.701, 168.72], ['B', ' CB ', 210.845, 231.159, 165.899], ['B', ' CG ', 211.296, 229.779, 166.317], ['B', ' OD1', 210.944, 229.354, 167.436], ['B', ' OD2', 212.011, 229.122, 165.532]]
[['B', ' N ', 212.64, 231.34, 168.59], ['B', ' CA ', 212.611, 231.005, 170.011], ['B', ' C ', 212.907, 232.225, 170.875], ['B', ' O ', 212.33, 232.384, 171.957], ['B', ' CB ', 213.586, 229.853, 170.304], ['B', ' CG1', 213.115, 228.583, 169.637], ['B', ' CG2', 214.959, 230.203, 169.794]]
[['B', ' N ', 213.811, 233.096, 170.429], ['B', ' CA ', 214.214, 234.236, 171.241], ['B', ' C ', 213.064, 235.225, 171.353], ['B', ' O ', 212.41, 235.563, 170.358], ['B', ' CB ', 215.462, 234.9, 170.639], ['B', ' CG1', 215.863, 236.091, 171.46], ['B', ' CG2', 216.598, 233.907, 170.579]]
[['B', ' N ', 212.805, 235.691, 172.57], ['B', ' CA ', 211.738, 236.647, 172.842], ['B', ' C ', 212.339, 238.045, 172.813], ['B', ' O ', 213.265, 238.348, 173.571], ['B', ' CB ', 211.059, 236.36, 174.185], ['B', ' CG1', 210.218, 235.094, 174.08], ['B', ' CG2', 210.204, 237.531, 174.606], ['B', ' CD1', 209.169, 235.166, 173.003]]
[['B', ' N ', 211.804, 238.906, 171.953], ['B', ' CA ', 212.353, 240.227, 171.739], ['B', ' C ', 213.22, 240.359, 170.507], ['B', ' O ', 213.859, 241.401, 170.329]]
[['B', ' N ', 213.261, 239.336, 169.656], ['B', ' CA ', 214.071, 239.378, 168.449], ['B', ' C ', 213.624, 240.523, 167.551], ['B', ' O ', 212.427, 240.808, 167.42], ['B', ' CB ', 213.968, 238.021, 167.733], ['B', ' CG1', 214.94, 237.94, 166.568], ['B', ' CG2', 212.548, 237.753, 167.28], ['B', ' CD1', 216.354, 237.992, 166.983]]
[['B', ' N ', 214.591, 241.207, 166.941], ['B', ' CA ', 214.316, 242.223, 165.935], ['B', ' C ', 214.904, 241.763, 164.613], ['B', ' O ', 215.708, 240.837, 164.555], ['B', ' CB ', 214.879, 243.599, 166.311], ['B', ' CG1', 214.411, 243.989, 167.686], ['B', ' CG2', 216.38, 243.578, 166.234]]
[['B', ' N ', 214.504, 242.437, 163.543], ['B', ' CA ', 215.028, 242.161, 162.216], ['B', ' C ', 215.776, 243.382, 161.704], ['B', ' O ', 215.286, 244.509, 161.806], ['B', ' CB ', 213.914, 241.721, 161.259], ['B', ' CG ', 212.751, 242.683, 161.215], ['B', ' ND2', 211.712, 242.305, 160.483], ['B', ' OD1', 212.774, 243.745, 161.829]]
[['B', ' N ', 216.979, 243.155, 161.194], ['B', ' CA ', 217.864, 244.229, 160.779], ['B', ' C ', 218.765, 243.692, 159.672], ['B', ' O ', 218.46, 242.67, 159.051], ['B', ' CB ', 218.649, 244.762, 161.986], ['B', ' CG ', 219.022, 246.211, 161.84], ['B', ' ND2', 219.827, 246.703, 162.763], ['B', ' OD1', 218.61, 246.88, 160.898]]
[['B', ' N ', 219.865, 244.39, 159.41], ['B', ' CA ', 220.86, 243.978, 158.432], ['B', ' C ', 222.213, 243.886, 159.116], ['B', ' O ', 222.541, 244.718, 159.962], ['B', ' CB ', 220.925, 244.965, 157.271], ['B', ' CG2', 222.085, 244.644, 156.348], ['B', ' OG1', 219.704, 244.902, 156.529]]
[['B', ' N ', 222.996, 242.874, 158.755], ['B', ' CA ', 224.29, 242.626, 159.374], ['B', ' C ', 225.356, 242.623, 158.29], ['B', ' O ', 225.359, 241.751, 157.414], ['B', ' CB ', 224.293, 241.308, 160.151], ['B', ' CG1', 225.709, 240.893, 160.473], ['B', ' CG2', 223.463, 241.46, 161.4]]
[['B', ' N ', 226.27, 243.582, 158.37], ['B', ' CA ', 227.287, 243.776, 157.348], ['B', ' C ', 228.302, 242.643, 157.364], ['B', ' O ', 228.593, 242.066, 158.411], ['B', ' CB ', 227.969, 245.122, 157.578], ['B', ' CG ', 229.037, 245.515, 156.587], ['B', ' CD1', 228.707, 245.96, 155.317], ['B', ' CD2', 230.375, 245.516, 156.953], ['B', ' CE1', 229.684, 246.339, 154.421], ['B', ' CE2', 231.355, 245.897, 156.067], ['B', ' CZ ', 231.005, 246.306, 154.803], ['B', ' OH ', 231.983, 246.69, 153.92]]
[['B', ' N ', 228.827, 242.312, 156.189], ['B', ' CA ', 229.844, 241.276, 156.048], ['B', ' C ', 231.075, 241.867, 155.373], ['B', ' O ', 230.968, 242.384, 154.247], ['B', ' CB ', 229.31, 240.092, 155.246], ['B', ' CG ', 229.969, 238.791, 155.636], ['B', ' OD1', 230.307, 238.636, 156.827], ['B', ' OD2', 230.148, 237.921, 154.758]]
[['B', ' N ', 232.255, 241.809, 155.996], ['B', ' CA ', 233.39, 242.583, 155.473], ['B', ' C ', 233.979, 242.028, 154.19], ['B', ' O ', 234.541, 242.799, 153.404], ['B', ' CB ', 234.41, 242.536, 156.621], ['B', ' CG ', 233.725, 241.838, 157.765], ['B', ' CD ', 232.629, 241.022, 157.176]]
[['B', ' N ', 233.882, 240.721, 153.952], ['B', ' CA ', 234.525, 240.148, 152.776], ['B', ' C ', 233.746, 240.419, 151.497], ['B', ' O ', 234.329, 240.384, 150.41], ['B', ' CB ', 234.706, 238.643, 152.951], ['B', ' CG ', 235.28, 238.163, 154.281], ['B', ' CD1', 235.408, 236.652, 154.269], ['B', ' CD2', 236.618, 238.822, 154.564]]
[['B', ' N ', 232.442, 240.668, 151.599], ['B', ' CA ', 231.622, 240.813, 150.398], ['B', ' C ', 232.05, 241.978, 149.514], ['B', ' O ', 232.175, 241.778, 148.293], ['B', ' CB ', 230.146, 240.923, 150.79], ['B', ' CG ', 229.184, 240.859, 149.613], ['B', ' CD ', 228.972, 242.207, 148.955], ['B', ' NE2', 229.358, 242.314, 147.69], ['B', ' OE1', 228.471, 243.143, 149.577]]
[['B', ' N ', 232.285, 243.197, 150.024], ['B', ' CA ', 232.705, 244.278, 149.124], ['B', ' C ', 234.177, 244.192, 148.764], ['B', ' O ', 234.894, 245.198, 148.804], ['B', ' CB ', 232.408, 245.537, 149.942], ['B', ' CG ', 232.661, 245.1, 151.318], ['B', ' CD ', 232.089, 243.708, 151.393]]
[['B', ' N ', 234.637, 242.995, 148.414], ['B', ' CA ', 236.024, 242.78, 148.032], ['B', ' C ', 236.191, 241.913, 146.799], ['B', ' O ', 237.24, 241.999, 146.15], ['B', ' CB ', 236.807, 242.147, 149.193], ['B', ' CG ', 238.269, 242.561, 149.277], ['B', ' CD ', 238.461, 244.025, 149.64], ['B', ' OE1', 237.47, 244.701, 149.986], ['B', ' OE2', 239.614, 244.502, 149.586]]
[['B', ' N ', 235.206, 241.092, 146.448], ['B', ' CA ', 235.31, 240.211, 145.297], ['B', ' C ', 235.248, 240.954, 143.969], ['B', ' O ', 235.771, 240.448, 142.97], ['B', ' CB ', 234.199, 239.157, 145.342], ['B', ' CG ', 234.338, 237.974, 144.381], ['B', ' CD1', 235.529, 237.11, 144.765], ['B', ' CD2', 233.06, 237.151, 144.341]]
[['B', ' N ', 234.644, 242.141, 143.935], ['B', ' CA ', 234.464, 242.867, 142.685], ['B', ' C ', 235.768, 243.386, 142.096], ['B', ' O ', 235.783, 243.781, 140.925], ['B', ' CB ', 233.495, 244.033, 142.891], ['B', ' CG ', 232.045, 243.595, 142.861], ['B', ' OD1', 231.791, 242.394, 142.638], ['B', ' OD2', 231.159, 244.452, 143.06]]
[['B', ' N ', 236.852, 243.395, 142.864], ['B', ' CA ', 238.141, 243.857, 142.361], ['B', ' C ', 239.291, 243.254, 143.161], ['B', ' O ', 239.939, 243.941, 143.95], ['B', ' CB ', 238.217, 245.384, 142.4], ['B', ' OG ', 239.497, 245.841, 142.0]]
daq_score_w9.pdb
daq_score_atom_w9.pdb
Please open it in pymol and visualize it by putting the following command to Pymol:
----------------------------------------------------------------------------------------------------
spectrum b, red_white_blue, all, -1,1
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INFO : STEP-0 DAQ Done
INFO: leave DAQ dir, enter DAQ_refine
Query Chain A
Match_columns 1191
No_of_seqs 330 out of 578
Neff 5.39932
Searched_HMMs 55448
Date Thu Sep 18 12:02:51 2025
UniRef30_2023_02
No Hit Prob E-value P-value Score SS Cols Query HMM Template HMM
1 UniRef100_A0A023NGM8 Spike gly 100.0 7E-293 2E-298 2610.7 0.0 1162 7-1191 40-1238(1305)
2 UniRef100_A0A6B9WHD3 Spike gly 100.0 5E-245 9E-251 2042.7 0.0 1191 1-1191 107-1300(1402)
3 UniRef100_A0A059SQG9 Spike gly 100.0 5E-238 1E-243 2027.4 0.0 1133 2-1191 41-1305(1369)
4 UniRef100_A0A023J7F0 Spike gly 100.0 4E-194 9E-200 1747.9 0.0 631 510-1191 843-1516(1590)
5 UniRef100_A0A023PLR7 Spike pro 100.0 2E-183 3E-189 1607.9 0.0 640 510-1190 424-1091(1183)
6 UniRef100_A0A077JJK7 Spike gly 100.0 6E-178 1E-183 1571.6 0.0 643 510-1191 685-1391(1458)
7 UniRef100_A0A077ERD3 S protein 100.0 2E-169 4E-175 1413.2 0.0 617 546-1190 5-675 (742)
8 UniRef100_A0A7S8R8N8 Spike pro 100.0 2E-168 3E-174 1386.5 0.0 783 403-1191 1-783 (848)
9 UniRef100_A0A1V0G2X7 Spike pro 100.0 7E-164 1E-169 1372.5 0.0 831 342-1191 2-932 (996)
10 UniRef100_A0A0U1WJW4 Spike gly 100.0 8E-164 2E-169 1431.5 0.0 836 247-1191 326-1176(1246)
11 UniRef100_A0A172Q3Q5 S2 protei 100.0 1E-163 3E-169 1376.2 0.0 536 637-1191 12-558 (632)
12 UniRef100_A0A166ZND9 Spike pro 100.0 4E-154 8E-160 1282.1 0.0 831 1-865 19-850 (852)
13 UniRef100_A0A1B0V2R4 Truncated 100.0 2E-128 4E-134 1076.0 0.0 868 7-892 41-983 (983)
14 UniRef100_A0A6G7KUJ6 Spike pro 100.0 5E-120 9E-126 1037.6 0.0 653 495-1191 698-1420(1492)
15 UniRef100_A0A0A1EBA0 Spike gly 100.0 2E-118 3E-124 1005.5 0.0 775 4-824 35-937 (937)
16 UniRef100_A0A068JC13 Spike pro 100.0 4E-113 8E-119 926.0 0.0 359 825-1190 3-396 (463)
17 UniRef100_A0A059XF70 Spike pro 100.0 2E-109 4E-115 874.9 0.0 350 697-1050 1-355 (356)
18 UniRef100_A0A077EXM1 S protein 100.0 1.8E-89 3.2E-95 700.0 0.0 263 809-1075 1-279 (297)
19 UniRef100_B2L0T8 Spike glycopr 100.0 6.9E-87 1.3E-92 741.4 0.0 427 511-975 428-872 (872)
20 UniRef100_Q6SRF2 Spike glycopr 100.0 1.8E-76 3.2E-82 629.1 0.0 424 3-440 21-444 (446)
21 UniRef100_A0A411PZD9 Spike (Fr 100.0 4E-76 7.3E-82 643.3 0.0 588 249-915 9-630 (631)
22 UniRef100_A0A411PZE7 Spike (Fr 100.0 1.8E-74 3.4E-80 641.1 0.0 587 250-915 200-820 (821)
23 UniRef100_A0A146AAK6 Spike pro 100.0 9E-74 1.7E-79 631.6 0.0 512 7-531 41-613 (613)
24 UniRef100_A0A1B0YTV9 Spike pro 100.0 4.5E-73 8.8E-79 568.8 0.0 194 834-1031 1-208 (210)
25 UniRef100_A0A096X736 Spike pro 100.0 1.2E-69 2.4E-75 567.4 0.0 217 971-1190 1-242 (287)
26 UniRef100_A0A6B9D8M7 S protein 100.0 4.8E-69 8.8E-75 555.6 0.0 255 934-1191 1-258 (319)
27 UniRef100_I6RE14 Spike protein 100.0 1.2E-68 2.2E-74 559.2 0.0 330 568-946 1-359 (360)
28 UniRef100_Q52R85 Spike protein 100.0 2.9E-64 5.3E-70 544.2 0.0 363 509-904 138-526 (526)
29 UniRef100_A0A6B9CZC3 S protein 100.0 1.5E-59 2.9E-65 514.5 0.0 395 3-437 30-455 (599)
30 UniRef100_A0A068B023 Spike pro 100.0 7.6E-59 1.5E-64 538.4 0.0 333 507-891 635-978 (978)
31 UniRef100_A0A0P0H4V9 Spike pro 100.0 3.6E-57 7.2E-63 478.2 0.0 294 86-412 2-300 (305)
32 UniRef100_UPI000A1C7A47 Spike 100.0 4.6E-54 9.4E-60 462.4 0.0 313 1-317 26-341 (351)
33 UniRef100_W5ZZU6 S protein (Fr 100.0 4.9E-53 8.9E-59 452.0 0.0 396 207-615 16-431 (442)
34 UniRef100_A0A2P1GNP6 Spike pro 100.0 1.6E-51 3E-57 463.2 0.0 472 692-1190 369-848 (906)
35 UniRef100_A0A0G2T197 Spike pro 100.0 6.3E-51 1.2E-56 441.5 0.0 406 348-765 1-511 (514)
36 UniRef100_UPI0000E11D80 Spike 100.0 9.8E-51 1.8E-56 423.9 0.0 278 299-576 36-313 (315)
37 UniRef100_A0A7D6LHD1 Non-struc 100.0 2.3E-49 4.9E-55 457.2 0.0 338 694-1060 362-712 (712)
38 UniRef100_Q6QHB0 Spike glycopr 100.0 5E-49 9.2E-55 402.6 0.0 272 93-373 1-272 (272)
39 UniRef100_W8PCB6 Spike protein 100.0 7.1E-48 1.3E-53 404.1 0.0 313 85-408 19-346 (347)
40 UniRef100_A0A0H3VDE9 Spike pro 100.0 1.2E-47 2.3E-53 410.7 0.0 298 2-334 30-351 (351)
41 UniRef100_A0A1L2ILV7 Spike gly 100.0 1.3E-46 2.3E-52 372.4 0.0 194 761-954 2-201 (202)
42 UniRef100_A0A0F7CYG7 Spike pro 100.0 5.1E-45 9.3E-51 367.9 0.0 200 728-930 1-225 (236)
43 UniRef100_A0A8K2ACR3 Nuclear e 100.0 8.1E-45 1.5E-50 395.8 0.0 237 289-525 2-238 (467)
44 UniRef100_A0A220F210 Spike pro 100.0 9.8E-45 1.8E-50 379.5 0.0 261 148-437 4-272 (333)
45 UniRef100_A0A7T6C1S9 Spike pro 100.0 2.5E-44 4.6E-50 374.5 0.0 298 251-556 2-314 (316)
46 UniRef100_A0A0B5GX78 Spike pro 100.0 2.9E-43 5.3E-49 382.0 0.0 366 304-681 1-470 (475)
47 UniRef100_A0A2U9I608 Spike pro 100.0 3.3E-43 6.1E-49 342.5 0.0 165 731-899 1-175 (175)
48 UniRef100_A0A6M6CD69 Spike gly 100.0 1.7E-42 3.1E-48 380.8 0.0 373 8-397 32-435 (582)
49 UniRef100_A0A0P0GRR3 Spike pro 100.0 4.7E-41 8.6E-47 338.3 0.0 219 156-397 6-226 (227)
50 UniRef100_A0A059XKM4 Spike pro 100.0 1E-40 1.8E-46 345.3 0.0 258 169-436 4-272 (291)
51 UniRef100_A0A024CI31 Spike pro 100.0 1.6E-38 3.3E-44 364.6 0.0 206 511-750 425-643 (644)
52 UniRef100_A0A096X762 Spike pro 100.0 9.6E-37 1.8E-42 282.3 0.0 111 975-1086 1-115 (115)
53 UniRef100_U5WHW8 Spike protein 100.0 3.9E-36 7.3E-42 306.0 0.0 224 346-587 2-225 (226)
54 UniRef100_X2CGA4 Spike protein 100.0 5.8E-36 1.1E-41 285.7 0.0 140 746-891 1-145 (145)
55 UniRef100_A0A2U9I5Y4 Spike pro 100.0 3.4E-35 6.3E-41 283.4 0.0 149 989-1138 2-156 (156)
56 UniRef100_A0A7G1PUB4 Spike pro 100.0 2.6E-34 5.2E-40 276.7 0.0 127 722-848 1-132 (133)
57 UniRef100_UPI00003B0AA1 E2 gly 100.0 1E-33 2.1E-39 275.9 0.0 86 886-971 3-88 (139)
58 UniRef100_UPI000A1C7A3E S prot 100.0 1.9E-33 3.5E-39 297.4 0.0 275 7-291 24-339 (342)
59 UniRef100_A0A2Z4KJM2 Spike gly 100.0 1.4E-32 2.5E-38 293.9 0.0 171 266-437 18-195 (380)
60 UniRef100_H9MFZ0 Spike protein 100.0 2.2E-32 4.1E-38 261.8 0.0 124 853-980 1-138 (138)
61 UniRef100_Q9WCD3 Surface glyco 99.9 6.4E-32 1.2E-37 253.7 0.0 126 822-951 1-126 (126)
62 UniRef100_A0A2P1G6J3 Spike gly 99.9 2.7E-30 5.3E-36 290.1 0.0 309 254-651 216-532 (532)
63 UniRef100_A0A499Q5S4 Spike (Fr 99.9 5.4E-30 1.1E-35 268.8 0.0 222 302-526 6-247 (251)
64 UniRef100_A0A8K2ACR3 Nuclear e 99.9 2.4E-29 4.5E-35 277.6 0.0 414 13-518 27-450 (467)
65 UniRef100_A0A514KFQ1 Spike pro 99.9 2.8E-26 5.2E-32 196.5 0.0 68 995-1062 1-68 (68)
66 UniRef100_A0A1V0CI80 Spike pro 99.9 7.7E-26 1.4E-31 214.7 0.0 122 761-882 2-129 (129)
67 UniRef100_Q5U8X2 S protein (Fr 99.9 1E-25 1.8E-31 221.1 0.0 117 1070-1189 1-122 (164)
68 UniRef100_A0A7M4C330 Spike pro 99.8 7.4E-25 1.4E-30 205.7 0.0 110 278-388 1-111 (112)
69 UniRef100_C8YZ70 Spike glycopr 99.8 2.5E-24 4.6E-30 227.0 0.0 266 469-768 14-295 (298)
70 UniRef100_UPI00108494E9 Spike 99.8 7.8E-24 1.5E-29 189.4 0.0 79 893-971 2-80 (80)
71 UniRef100_E9KKB9 S1 glycoprote 99.8 4.6E-22 8.5E-28 214.0 0.0 170 511-714 168-350 (350)
72 UniRef100_A0A6B9XCD3 Spike gly 99.8 8.9E-22 1.7E-27 211.0 0.0 217 357-573 2-317 (317)
73 UniRef100_A0A7T8EHU6 Spike gly 99.8 1.4E-21 2.5E-27 166.5 0.0 63 835-901 1-63 (63)
74 UniRef100_A7LIZ2 Spike protein 99.7 4.5E-21 8.3E-27 191.2 0.0 149 622-791 10-164 (175)
75 UniRef100_A0A077ERX2 S protein 99.7 7.4E-21 1.4E-26 194.1 0.0 119 1070-1190 4-143 (210)
76 UniRef100_A0A3S7SVT1 Spike pro 99.7 1.8E-20 3.6E-26 216.5 0.0 309 250-609 201-518 (591)
77 UniRef100_A0A7D6LHD1 Non-struc 99.7 6.2E-20 1.3E-25 218.6 0.0 283 290-582 358-676 (712)
78 UniRef100_H9MG45 Spike protein 99.6 2.9E-19 5.4E-25 172.3 0.0 95 863-961 1-109 (133)
79 UniRef100_A0A4P2V557 Spike pro 99.6 4.7E-19 8.6E-25 182.2 0.0 185 501-697 23-217 (217)
80 UniRef100_E1U195 Spike glycopr 99.6 4.2E-18 7.7E-24 176.7 0.0 197 8-230 3-213 (229)
81 UniRef100_UPI002240E4F8 Spike 99.6 4.2E-18 8E-24 179.1 0.0 126 895-1024 1-126 (242)
82 UniRef100_B0FG42 Spike protein 99.6 5.8E-18 1.1E-23 164.1 0.0 96 1094-1190 2-115 (122)
83 UniRef100_M1PF06 Spike glycopr 99.6 6.2E-18 1.1E-23 173.8 0.0 108 330-437 1-114 (211)
84 UniRef100_UPI002240E4F8 Spike 99.5 6.6E-17 1.3E-22 170.6 0.0 81 893-973 153-233 (242)
85 UniRef100_A0A7D6LHD1 Non-struc 99.4 2.3E-16 4.8E-22 189.7 0.0 261 1-278 362-648 (712)
86 UniRef100_Q6QJ40 Spike protein 99.4 4.5E-16 8.2E-22 155.9 0.0 125 3-132 21-145 (165)
87 UniRef100_UPI001FBC14EB SARS-C 99.4 6E-16 1.1E-21 163.6 0.0 75 897-971 183-257 (257)
88 UniRef100_T2BB95 S protein (Fr 99.4 8.5E-16 1.6E-21 162.0 0.0 168 7-177 41-241 (250)
89 UniRef100_UPI0008A09DF1 Spike 99.4 1.5E-15 2.8E-21 153.6 0.0 159 319-511 6-169 (176)
90 UniRef100_A0A0A7X7R5 Spike gly 99.3 8.1E-15 1.6E-20 160.4 0.0 98 510-611 188-293 (303)
91 UniRef100_T2KR30 Spike protein 99.2 1E-13 1.8E-19 114.7 0.0 48 839-890 1-48 (48)
92 UniRef100_E2DNU6 Spike glycopr 99.2 1.6E-13 2.9E-19 158.1 0.0 165 505-712 427-596 (596)
93 UniRef100_A0A088DJH4 BetaCoV S 99.2 1.7E-13 3.1E-19 154.4 0.0 245 31-287 61-322 (451)
94 UniRef100_A0A0A1EHX8 Spike gly 99.1 3.1E-13 5.7E-19 135.5 0.0 82 511-596 64-153 (155)
95 UniRef100_A0A6M8NL89 Surface g 99.1 5.6E-13 1E-18 129.9 0.0 120 569-688 2-121 (126)
96 UniRef100_A0A098GJU2 Spike pro 99.1 6.3E-13 1.2E-18 119.2 0.0 56 785-840 17-74 (74)
97 UniRef100_UPI0021506BE2 Spike 99.0 1.7E-12 3.2E-18 138.4 0.0 55 900-954 1-55 (250)
98 UniRef100_UPI0022656F4D Spike 99.0 4.4E-12 8E-18 131.5 0.0 102 319-421 7-108 (194)
99 UniRef100_UPI001CFC46DE Spike 98.7 1.5E-10 2.7E-16 101.5 0.0 50 900-949 7-56 (61)
100 UniRef100_UPI000BA9F96C Spike 98.7 2.6E-10 4.7E-16 101.3 0.0 62 761-822 4-65 (65)
101 UniRef100_UPI000D724CD3 Spike 98.6 5.9E-10 1.1E-15 112.8 0.0 55 901-955 1-69 (148)
102 UniRef100_A0A140HEV6 Spike pro 98.6 6E-10 1.1E-15 126.1 0.0 72 511-582 313-392 (397)
103 UniRef100_A0A0U4CKH3 Truncated 98.6 6E-10 1.1E-15 116.5 0.0 119 512-661 51-174 (190)
104 UniRef100_I3QKR4 Spike glycopr 98.6 6.6E-10 1.3E-15 137.2 0.0 85 509-599 672-756 (808)
105 UniRef100_UPI00006C21F1 Spike 98.5 1.2E-09 2.2E-15 94.5 0.0 50 1142-1191 3-52 (55)
106 UniRef100_A0A0A7DYL7 S1 protei 98.5 1.8E-09 3.4E-15 120.6 0.0 116 511-656 188-308 (339)
107 UniRef100_A0A2H4N6M1 Spike pro 98.3 9.9E-09 1.8E-14 120.9 0.0 152 512-705 423-580 (580)
108 UniRef100_A0A2H5ACN4 Spike pro 98.2 1.4E-08 3E-14 98.1 0.0 57 1131-1190 7-77 (84)
109 UniRef100_A0A075THU5 Spike pro 98.2 2.1E-08 3.9E-14 104.4 0.0 99 5-104 37-146 (172)
110 UniRef100_B2BGX7 Spike protein 98.2 2.1E-08 3.9E-14 97.7 0.0 99 532-640 1-100 (107)
111 UniRef100_E5Q348 Spike protein 98.2 2.5E-08 4.5E-14 90.6 0.0 45 685-731 25-69 (69)
112 UniRef100_C3S0H5 Spike protein 98.2 2.8E-08 5.2E-14 92.4 0.0 72 1104-1176 1-76 (76)
113 UniRef100_UPI0021506BE2 Spike 98.1 4.6E-08 8.5E-14 106.8 0.0 57 898-954 96-152 (250)
114 UniRef100_T2KSE6 Spike protein 98.1 7.7E-08 1.4E-13 78.0 0.0 30 841-870 3-32 (37)
115 UniRef100_A0A5B7M0Y4 Spike pro 98.0 9E-08 1.6E-13 104.4 0.0 75 500-574 164-242 (242)
116 UniRef100_UPI0021506BE2 Spike 98.0 1.2E-07 2.3E-13 103.8 0.0 54 898-951 193-246 (250)
117 UniRef100_UPI0000D79C3D E2 gly 98.0 1.4E-07 2.6E-13 87.7 0.0 39 927-965 1-39 (77)
118 UniRef100_A0A2H5ACN2 Spike pro 97.9 2.9E-07 5.7E-13 83.2 0.0 41 1144-1185 5-59 (59)
119 UniRef100_D3GDW7 Spike glycopr 97.8 5.2E-07 9.6E-13 91.9 0.0 98 6-104 18-126 (130)
120 UniRef100_A0A076ML67 Spike pro 97.8 6.3E-07 1.2E-12 97.9 0.0 69 511-580 149-217 (231)
121 UniRef100_A0A3Q8M6B4 Spike pro 97.7 7.4E-07 1.4E-12 70.7 0.0 32 855-890 1-32 (32)
122 UniRef100_A0A6M5WM48 Spike pro 97.4 8.2E-06 1.6E-11 65.9 0.0 32 848-883 1-32 (32)
123 UniRef100_I3QKB4 Spike protein 97.2 1.9E-05 3.4E-11 81.0 0.0 59 511-570 70-128 (128)
124 UniRef100_UPI0000ED4E97 Spike 97.1 3.1E-05 5.7E-11 77.7 0.0 47 909-955 12-58 (109)
125 UniRef100_A0A173G2R2 Spike pro 96.9 7.9E-05 1.4E-10 70.1 0.0 54 560-615 6-59 (71)
126 UniRef100_A0A6B9UZ41 Surface g 96.9 9E-05 1.7E-10 61.1 0.0 34 378-411 2-35 (35)
127 UniRef100_D3GDG1 S protein (Fr 96.9 9.8E-05 1.8E-10 73.5 0.0 77 5-82 6-85 (100)
128 UniRef100_UPI0021506BE2 Spike 95.5 0.0074 1.4E-08 69.7 0.0 52 1134-1187 42-93 (250)
129 UniRef100_A0A7D6QGV8 Non-struc 93.1 0.17 3.2E-07 67.3 0.0 194 305-506 592-807 (890)
130 UniRef100_A0A7D6QGV8 Non-struc 92.8 0.22 4E-07 66.5 0.0 197 13-228 601-806 (890)
131 UniRef100_A0A089FJG8 VP1 (Frag 91.6 0.44 8.3E-07 59.4 0.0 197 13-229 55-262 (323)
132 UniRef100_A0A1L3KJ41 S protein 89.0 1.1 2.3E-06 63.9 0.0 152 916-1076 683-834 (986)
133 UniRef100_A0A1E2YE46 Heat shoc 85.4 3.1 5.8E-06 46.4 0.0 40 934-973 62-105 (117)
134 UniRef100_A0A9D4KXP1 Uncharact 83.9 4.3 7.8E-06 58.6 0.0 114 882-997 979-1097(1690)
135 UniRef100_A0A0G2J7V5 Uncharact 82.4 5.4 1E-05 44.9 0.0 41 933-973 67-111 (122)
136 UniRef100_A0A8T7GN55 Carboxype 79.5 7.7 1.5E-05 52.5 0.0 83 908-992 265-350 (452)
137 UniRef100_A0A256Z473 Uncharact 79.3 6 1.5E-05 55.2 0.0 57 911-971 234-290 (434)
138 UniRef100_A0A177RC14 Uncharact 76.9 8.1 2.1E-05 52.7 0.0 81 892-972 80-169 (350)
139 UniRef100_A0A089FJG8 VP1 (Frag 71.7 18 3.5E-05 47.4 0.0 182 305-494 46-240 (323)
140 UniRef100_A0A2A4V052 Uroporphy 69.6 17 4.2E-05 51.7 0.0 113 874-1006 75-210 (443)
141 UniRef100_A0A024TLL1 SUN domai 64.5 32 6.3E-05 48.1 0.0 71 950-1020 404-475 (505)
142 UniRef100_A0A8T7GN55 Carboxype 64.2 33 6.4E-05 47.7 0.0 103 913-1025 224-326 (452)
143 UniRef100_A0A1H3SEM7 Uncharact 63.5 29 6.8E-05 53.6 0.0 84 914-1003 410-497 (1073)
144 UniRef100_A0A0M6WZY7 Methyl-ac 60.3 37 8.5E-05 50.4 0.0 108 904-1014 303-420 (629)
145 UniRef100_A0A099T2B5 Flagella 56.8 51 0.00011 46.7 0.0 96 878-973 160-267 (424)
146 UniRef100_A0A966KEI6 Uncharact 56.1 60 0.00011 40.5 0.0 33 958-990 77-114 (185)
147 UniRef100_A0A086WSP0 histidine 55.3 43 0.00012 52.3 0.0 113 904-1016 556-675 (947)
148 UniRef100_A0A084IMX3 Flagellar 54.7 47 0.00012 49.3 0.0 121 885-1009 362-491 (562)
149 UniRef100_A0A522D5R2 Methyl-ac 53.9 66 0.00013 48.2 0.0 105 904-1011 557-671 (895)
150 UniRef100_A0A0M9AIM7 HAMP doma 53.7 54 0.00013 49.6 0.0 104 900-1014 469-609 (686)
151 UniRef100_A0A0G0AQN9 Uncharact 53.0 60 0.00014 45.1 0.0 63 909-971 251-317 (323)
152 UniRef100_A0A060VPW2 Collectin 52.9 63 0.00014 50.1 0.0 111 898-1010 386-526 (1003)
153 UniRef100_A0A0P0N112 Uncharact 52.5 70 0.00014 48.1 0.0 73 875-950 690-768 (872)
154 UniRef100_A0A2P8VZ13 DUF1887 d 51.8 66 0.00015 47.9 0.0 97 874-978 40-139 (615)
155 UniRef100_UPI00138F4D11 hypoth 51.0 84 0.00015 46.1 0.0 124 894-1017 140-270 (917)
156 UniRef100_A0A1Q4RPT1 Uncharact 47.4 88 0.00019 48.2 0.0 47 906-952 328-374 (844)
157 UniRef100_A0A508A1J1 t-SNARE c 46.0 1E+02 0.00021 38.6 0.0 105 898-1004 5-126 (151)
158 UniRef100_A0A2M8PPH2 HAMP doma 43.5 1.2E+02 0.00024 42.4 0.0 116 858-973 210-330 (374)
159 UniRef100_A0A0F2QXD1 Chromosom 43.0 90 0.00025 43.6 0.0 94 880-973 86-203 (303)
160 UniRef100_A0A2K8N635 DUF1664 d 42.9 1.3E+02 0.00025 36.0 0.0 62 911-972 28-92 (123)
161 UniRef100_A0A073J5Y1 Mitochond 42.8 93 0.00025 46.3 0.0 49 946-994 256-311 (504)
162 UniRef100_A0A2M7CHH4 t-SNARE c 42.3 1.4E+02 0.00026 36.9 0.0 50 942-991 80-129 (155)
163 UniRef100_A0A161VQZ0 Uncharact 42.1 1.3E+02 0.00026 45.3 0.0 65 906-971 117-181 (625)
164 UniRef100_A0A9C9Z8J7 Uncharact 40.2 1.5E+02 0.00029 41.2 0.0 115 904-1018 37-158 (333)
165 UniRef100_A0A108TBW5 Chromosom 40.2 1.4E+02 0.00029 46.7 0.0 115 884-1002 371-521 (906)
SANT- 40.2 1.5E+02 0.00029 41.6 0.0 88 918-1006 297-386 (389)
167 UniRef100_A0A0P9EFA1 Phospholi 39.7 1.2E+02 0.0003 43.5 0.0 51 951-1001 266-318 (346)
168 UniRef100_A0A0K1E1L9 ABC-type 39.4 1.3E+02 0.00031 44.6 0.0 66 924-995 357-425 (457)
169 UniRef100_A0A662RX13 CARDB dom 39.0 1.7E+02 0.00032 42.6 0.0 68 944-1015 526-597 (679)
170 UniRef100_A0A258DE44 Methyl-ac 39.0 1.4E+02 0.00032 46.2 0.0 113 902-1014 268-389 (758)
171 UniRef100_A0A3N5X3Q3 Methyl-ac 38.9 1.4E+02 0.00032 46.1 0.0 75 903-977 389-466 (731)
172 UniRef100_A0A1H6XRX4 RHS repea 38.6 1.8E+02 0.00032 35.9 0.0 58 1131-1188 54-111 (143)
173 UniRef100_A0A2D0RDU5 Collectin 38.4 1.7E+02 0.00033 46.3 0.0 111 898-1011 286-427 (1287)
174 UniRef100_A0A010PRF4 DNA repai 38.2 1.2E+02 0.00033 48.2 0.0 113 899-1013 364-481 (871)
MobD 38.2 1.6E+02 0.00033 36.8 0.0 75 926-1001 10-92 (130)
176 UniRef100_A0A2E1ED93 DUF4164 d 38.2 1.7E+02 0.00033 36.9 0.0 78 914-999 62-139 (149)
177 UniRef100_A0A0F2JE98 Methyl-ac 38.1 1.2E+02 0.00033 47.9 0.0 20 904-923 387-406 (843)
178 UniRef100_A0A090J3L6 Fungal li 37.2 1.4E+02 0.00035 44.9 0.0 85 929-1017 409-505 (543)
MlaD 37.0 1.3E+02 0.00036 45.2 0.0 80 896-975 160-241 (528)
180 UniRef100_A0A971D0U2 MBG domai 36.9 1.9E+02 0.00036 44.2 0.0 112 884-998 439-560 (1073)
181 UniRef100_A0A066V366 Laminin d 35.2 1.7E+02 0.0004 44.1 0.0 82 884-965 331-414 (534)
182 UniRef100_A0A7V1ZE80 Uncharact 35.1 2.2E+02 0.0004 33.8 0.0 84 889-976 12-98 (106)
183 UniRef100_A0A2G6FCF6 Uncharact 35.0 1.6E+02 0.0004 42.6 0.0 92 917-1012 176-273 (368)
184 UniRef100_A0A143BML1 t-SNARE c 34.9 1.6E+02 0.00041 43.1 0.0 67 916-982 216-285 (405)
185 UniRef100_A0A087R1U4 Biogenesi 34.8 2E+02 0.00041 37.6 0.0 52 963-1014 115-172 (187)
186 UniRef100_A0A930IBI9 DUF2150 f 34.4 2E+02 0.00042 41.3 0.0 123 881-1012 32-155 (350)
187 UniRef100_A0A0B5QD04 Methyl-ac 34.4 1.4E+02 0.00042 46.5 0.0 99 905-1010 386-484 (716)
188 UniRef100_A0A063YYS5 Chemotaxi 34.2 1.6E+02 0.00042 45.2 0.0 209 801-1014 124-378 (608)
189 UniRef100_A0A010R662 Structura 34.1 1.7E+02 0.00043 50.1 0.0 126 862-1005 1224-1352(2106)
190 UniRef100_A0A0S2I2D1 Methyl-ac 34.0 1.7E+02 0.00043 44.9 0.0 101 904-1012 276-384 (596)
191 UniRef100_A0A430R550 SLH domai 33.9 2.1E+02 0.00043 41.4 0.0 81 918-998 169-260 (391)
192 UniRef100_A0A0Q6XJR0 DUF1983 d 33.5 2.1E+02 0.00044 44.3 0.0 84 889-972 151-234 (810)
193 UniRef100_A0A2J6GZL6 Methyl-ac 33.5 2E+02 0.00044 43.9 0.0 112 897-1013 261-387 (597)
194 UniRef100_A0A0G0TBH6 Glycosyl 33.2 1.9E+02 0.00045 46.4 0.0 88 884-976 247-337 (1006)
195 UniRef100_A0A090YQR3 Methyl-ac 33.2 1.6E+02 0.00045 44.5 0.0 58 904-965 188-245 (534)
196 UniRef100_A0A085M0A3 Laminin G 33.1 2.1E+02 0.00045 48.7 0.0 90 926-1019 1125-1225(2260)
197 UniRef100_A0A3M6V1P6 NACHT dom 32.7 2.4E+02 0.00046 46.3 0.0 123 894-1016 174-317 (2630)
198 UniRef100_A0A7M7G110 SUN domai 32.7 2.1E+02 0.00047 47.0 0.0 93 882-974 1096-1188(1404)
199 UniRef100_A0A022NAV7 Phage inf 32.5 2.1E+02 0.00047 46.5 0.0 18 1088-1105 829-846 (1158)
TolQ 32.3 1.8E+02 0.00048 45.2 0.0 88 881-968 349-441 (654)
201 UniRef100_A0A1Y5DYU7 Methyl-ac 32.3 2E+02 0.00048 43.7 0.0 60 904-963 231-297 (524)
202 UniRef100_A0A1G3KZN6 Methyl-ac 32.0 1.7E+02 0.00049 46.5 0.0 140 875-1015 430-585 (842)
203 UniRef100_A0A011T934 DNA repai 30.9 1.7E+02 0.00052 45.4 0.0 20 899-918 280-299 (685)
204 UniRef100_A0A1H7ZF10 Methyl-ac 30.3 2.6E+02 0.00054 42.4 0.0 70 903-976 303-372 (585)
205 UniRef100_A0A058ZLS1 Mitochond 30.2 1.9E+02 0.00054 43.6 0.0 26 949-974 254-279 (503)
206 UniRef100_A0A2T7PEL7 C-type le 30.2 2.1E+02 0.00055 45.2 0.0 36 936-971 396-431 (751)
207 UniRef100_A0A2G1ZU66 PAS domai 30.1 2.7E+02 0.00055 39.5 0.0 66 901-970 175-240 (318)
208 UniRef100_A0A022LC25 Phage inf 30.0 2.1E+02 0.00055 46.2 0.0 47 908-954 343-389 (914)
209 UniRef100_A0A1W9RT00 Methyl-ac 29.8 2.7E+02 0.00056 42.9 0.0 58 904-965 338-395 (672)
210 UniRef100_A0A0L6W2M0 Methyl-ac 29.6 2.8E+02 0.00057 42.2 0.0 64 917-980 224-290 (615)
211 UniRef100_A0A0B7BK04 Laminin s 29.2 2.4E+02 0.00058 50.1 0.0 130 880-1014 1815-1962(2999)
212 UniRef100_A0A1V4QXH2 t-SNARE c 29.2 3.2E+02 0.00058 35.2 0.0 105 893-1001 12-117 (177)
213 UniRef100_A0A6G0MKR0 Uncharact 29.1 3E+02 0.00059 36.6 0.0 97 881-986 58-155 (203)
214 UniRef100_A0A0Q2M686 DUF4226 d 28.7 2.5E+02 0.0006 42.9 0.0 106 919-1027 91-200 (529)
215 UniRef100_A0A6M4JDI9 Uncharact 28.7 3.1E+02 0.0006 41.4 0.0 44 1130-1173 263-307 (642)
216 UniRef100_A0A1F7F3E7 Chemotaxi 28.4 2.3E+02 0.00061 44.7 0.0 62 904-965 402-466 (734)
217 UniRef100_A0A074J9P9 Mitochond 28.4 2.2E+02 0.00061 43.5 0.0 24 850-873 201-224 (535)
218 UniRef100_A0A1E5FZ23 Chemotaxi 28.1 2.4E+02 0.00063 44.4 0.0 83 904-986 378-464 (707)
219 UniRef100_A0A6P4XPV2 Protein C 28.1 3.3E+02 0.00063 39.8 0.0 122 896-1026 40-161 (477)
220 UniRef100_A0A256Z473 Uncharact 28.1 2.4E+02 0.00063 42.1 0.0 58 946-1013 223-280 (434)
221 UniRef100_A0A023D339 Paraquat- 27.9 2.2E+02 0.00063 42.2 0.0 56 904-961 214-269 (423)
222 UniRef100_A0A1B6B8Z2 Methyl-ac 27.3 3.2E+02 0.00066 42.6 0.0 110 904-1013 393-509 (717)
223 UniRef100_A0A0B5QVB4 Methyl-ac 26.5 2.9E+02 0.0007 43.6 0.0 69 904-972 392-491 (717)
224 UniRef100_A0A090ECA4 Uncharact 26.3 2.5E+02 0.00071 42.2 0.0 76 899-974 184-259 (453)
225 UniRef100_A0A0E0UD06 Transmemb 25.7 3.3E+02 0.00074 41.4 0.0 101 923-1023 297-426 (500)
226 UniRef100_A0A0C1QQS9 Uncharact 25.3 3.2E+02 0.00076 43.4 0.0 42 877-918 80-128 (735)
227 UniRef100_A0A1T5BHF6 Two compo 25.3 3.1E+02 0.00076 45.1 0.0 80 895-974 833-912 (1089)
228 UniRef100_A0A6G7PUM8 HAMP doma 25.2 3.8E+02 0.00076 41.3 0.0 70 901-970 241-320 (656)
229 UniRef100_A0A0A2SF03 Chemotaxi 25.0 2.7E+02 0.00077 43.2 0.0 62 904-969 264-325 (596)
230 UniRef100_A0A0H4PKB4 Methyl-ac 24.9 3.4E+02 0.00078 40.8 0.0 105 908-1016 301-413 (439)
231 UniRef100_A0A0A8WMI4 Methyl-ac 24.1 3.1E+02 0.00083 43.8 0.0 107 907-1020 533-645 (746)
232 UniRef100_A0A3N2E798 peptidylp 23.9 3.8E+02 0.00084 41.4 0.0 130 883-1015 104-239 (569)
233 UniRef100_A0A101X814 Uncharact 23.8 3.9E+02 0.00085 40.5 0.0 27 887-913 15-41 (481)
234 UniRef100_A0A0K8MB15 Mce relat 23.3 3.4E+02 0.00088 39.6 0.0 97 897-999 187-291 (332)
235 UniRef100_A0A1A9R797 Phage tai 23.2 3.3E+02 0.00088 44.5 0.0 114 880-994 317-443 (932)
236 UniRef100_A0A017RUL3 Methyl-ac 23.2 2.9E+02 0.00088 43.9 0.0 65 907-975 589-653 (764)
237 UniRef100_A0A088F0Z2 CAP-Gly p 23.1 3.4E+02 0.00089 40.5 0.0 41 977-1017 274-314 (396)
238 UniRef100_A0A017RYD0 Methyl-ac 23.0 3.5E+02 0.00089 42.2 0.0 138 875-1016 211-365 (578)
239 UniRef100_A0A7C9QUS5 Uncharact 23.0 4.6E+02 0.00089 39.6 0.0 125 880-1005 235-380 (550)
240 UniRef100_UPI00187D7964 glycin 23.0 4.7E+02 0.0009 38.7 0.0 63 932-994 322-386 (478)
241 UniRef100_UPI0011DD142E hypoth 23.0 4.7E+02 0.0009 34.6 0.0 73 1101-1182 101-176 (186)
242 UniRef100_A0A108TBW5 Chromosom 22.9 4.2E+02 0.0009 42.7 0.0 105 898-1002 322-448 (906)
243 UniRef100_A0A0B7BK04 Laminin s 22.9 3.7E+02 0.0009 48.4 0.0 43 973-1016 1838-1880(2999)
244 UniRef100_A0A1G0YMZ8 DUF4175 d 22.8 3.4E+02 0.00091 44.6 0.0 72 947-1030 743-816 (962)
245 UniRef100_A0A7J4DUH4 V-type AT 22.8 4.6E+02 0.00091 32.8 0.0 53 917-969 14-67 (116)
246 UniRef100_A0A0C5VVM8 Chromosom 22.4 3.9E+02 0.00094 39.2 0.0 93 881-981 148-269 (340)
247 UniRef100_A0A084JNG3 Phage inf 22.4 3.8E+02 0.00094 42.9 0.0 72 904-975 299-374 (744)
248 UniRef100_A0A349B9T4 Uncharact 22.2 4.8E+02 0.00095 38.1 0.0 166 895-1069 140-322 (386)
249 UniRef100_A0A090ZUN6 Methyl-ac 22.2 3.2E+02 0.00096 42.8 0.0 58 904-965 277-334 (643)
250 UniRef100_A0A174RCF4 Septal ri 22.1 3.5E+02 0.00096 40.7 0.0 98 882-987 58-156 (429)
251 UniRef100_A0A1C5N4E2 Uncharact 21.8 4.1E+02 0.00098 38.1 0.0 85 922-1011 156-251 (282)
252 UniRef100_A0A3M6UUT1 Uncharact 21.6 4.5E+02 0.00099 37.4 0.0 46 928-973 67-112 (262)
253 UniRef100_A0A0A8X4T6 Uncharact 21.3 3.6E+02 0.001 38.5 0.0 87 882-973 45-132 (284)
254 UniRef100_A0A0K8JGA3 Methyl-ac 21.2 4.3E+02 0.001 40.5 0.0 185 835-1034 119-323 (481)
255 UniRef100_A0A258GQ73 Peptidogl 21.1 4.9E+02 0.001 43.4 0.0 78 898-975 416-500 (1310)
256 UniRef100_A0A0S3TX49 Uncharact 21.1 4E+02 0.001 42.8 0.0 68 902-977 176-244 (750)
257 UniRef100_A0A1Y0IFL3 50S ribos 21.1 3.9E+02 0.001 38.7 0.0 63 912-974 188-250 (309)
258 UniRef100_A0A5C8JGQ5 Phage tai 20.7 4.8E+02 0.0011 42.6 0.0 81 890-973 601-681 (923)
259 UniRef100_A0A1F3DI85 Uncharact 20.7 4.7E+02 0.0011 33.4 0.0 60 1120-1182 41-104 (119)
260 UniRef100_A0A0F5ASV0 Chemotaxi 20.5 4.4E+02 0.0011 39.7 0.0 101 904-1005 92-214 (410)
261 UniRef100_A0A068Z5M4 Type III 20.4 4.7E+02 0.0011 41.7 0.0 144 884-1027 119-309 (679)
262 UniRef100_A0A0E4GBT4 Methyl-ac 20.4 3.9E+02 0.0011 41.1 0.0 58 904-965 145-202 (508)
263 UniRef100_A0A2A5NXX2 t-SNARE c 20.3 4.8E+02 0.0011 33.4 0.0 37 937-973 21-57 (120)
Query Chain A
Match_columns 1191
No_of_seqs 330 out of 578
Neff 5.39932
Searched_HMMs 55448
Date Thu Sep 18 12:11:23 2025
UniRef30_2023_02
No Hit Prob E-value P-value Score SS Cols Query HMM Template HMM
1 UniRef100_A0A023NGM8 Spike gly 100.0 7E-293 2E-298 2610.7 0.0 1162 7-1191 40-1238(1305)
2 UniRef100_A0A6B9WHD3 Spike gly 100.0 5E-245 9E-251 2042.7 0.0 1191 1-1191 107-1300(1402)
3 UniRef100_A0A059SQG9 Spike gly 100.0 5E-238 1E-243 2027.4 0.0 1133 2-1191 41-1305(1369)
4 UniRef100_A0A023J7F0 Spike gly 100.0 4E-194 9E-200 1747.9 0.0 631 510-1191 843-1516(1590)
5 UniRef100_A0A023PLR7 Spike pro 100.0 2E-183 3E-189 1607.9 0.0 640 510-1190 424-1091(1183)
6 UniRef100_A0A077JJK7 Spike gly 100.0 6E-178 1E-183 1571.6 0.0 643 510-1191 685-1391(1458)
7 UniRef100_A0A077ERD3 S protein 100.0 2E-169 4E-175 1413.2 0.0 617 546-1190 5-675 (742)
8 UniRef100_A0A7S8R8N8 Spike pro 100.0 2E-168 3E-174 1386.5 0.0 783 403-1191 1-783 (848)
9 UniRef100_A0A1V0G2X7 Spike pro 100.0 7E-164 1E-169 1372.5 0.0 831 342-1191 2-932 (996)
10 UniRef100_A0A0U1WJW4 Spike gly 100.0 8E-164 2E-169 1431.5 0.0 836 247-1191 326-1176(1246)
11 UniRef100_A0A172Q3Q5 S2 protei 100.0 1E-163 3E-169 1376.2 0.0 536 637-1191 12-558 (632)
12 UniRef100_A0A166ZND9 Spike pro 100.0 4E-154 8E-160 1282.1 0.0 831 1-865 19-850 (852)
13 UniRef100_A0A1B0V2R4 Truncated 100.0 2E-128 4E-134 1076.0 0.0 868 7-892 41-983 (983)
14 UniRef100_A0A6G7KUJ6 Spike pro 100.0 5E-120 9E-126 1037.6 0.0 653 495-1191 698-1420(1492)
15 UniRef100_A0A0A1EBA0 Spike gly 100.0 2E-118 3E-124 1005.5 0.0 775 4-824 35-937 (937)
16 UniRef100_A0A068JC13 Spike pro 100.0 4E-113 8E-119 926.0 0.0 359 825-1190 3-396 (463)
17 UniRef100_A0A059XF70 Spike pro 100.0 2E-109 4E-115 874.9 0.0 350 697-1050 1-355 (356)
18 UniRef100_A0A077EXM1 S protein 100.0 1.8E-89 3.2E-95 700.0 0.0 263 809-1075 1-279 (297)
19 UniRef100_B2L0T8 Spike glycopr 100.0 6.9E-87 1.3E-92 741.4 0.0 427 511-975 428-872 (872)
20 UniRef100_Q6SRF2 Spike glycopr 100.0 1.8E-76 3.2E-82 629.1 0.0 424 3-440 21-444 (446)
21 UniRef100_A0A411PZD9 Spike (Fr 100.0 4E-76 7.3E-82 643.3 0.0 588 249-915 9-630 (631)
22 UniRef100_A0A411PZE7 Spike (Fr 100.0 1.8E-74 3.4E-80 641.1 0.0 587 250-915 200-820 (821)
23 UniRef100_A0A146AAK6 Spike pro 100.0 9E-74 1.7E-79 631.6 0.0 512 7-531 41-613 (613)
24 UniRef100_A0A1B0YTV9 Spike pro 100.0 4.5E-73 8.8E-79 568.8 0.0 194 834-1031 1-208 (210)
25 UniRef100_A0A096X736 Spike pro 100.0 1.2E-69 2.4E-75 567.4 0.0 217 971-1190 1-242 (287)
26 UniRef100_A0A6B9D8M7 S protein 100.0 4.8E-69 8.8E-75 555.6 0.0 255 934-1191 1-258 (319)
27 UniRef100_I6RE14 Spike protein 100.0 1.2E-68 2.2E-74 559.2 0.0 330 568-946 1-359 (360)
28 UniRef100_Q52R85 Spike protein 100.0 2.9E-64 5.3E-70 544.2 0.0 363 509-904 138-526 (526)
29 UniRef100_A0A6B9CZC3 S protein 100.0 1.5E-59 2.9E-65 514.5 0.0 395 3-437 30-455 (599)
30 UniRef100_A0A068B023 Spike pro 100.0 7.6E-59 1.5E-64 538.4 0.0 333 507-891 635-978 (978)
31 UniRef100_A0A0P0H4V9 Spike pro 100.0 3.6E-57 7.2E-63 478.2 0.0 294 86-412 2-300 (305)
32 UniRef100_UPI000A1C7A47 Spike 100.0 4.6E-54 9.4E-60 462.4 0.0 313 1-317 26-341 (351)
33 UniRef100_W5ZZU6 S protein (Fr 100.0 4.9E-53 8.9E-59 452.0 0.0 396 207-615 16-431 (442)
34 UniRef100_A0A2P1GNP6 Spike pro 100.0 1.6E-51 3E-57 463.2 0.0 472 692-1190 369-848 (906)
35 UniRef100_A0A0G2T197 Spike pro 100.0 6.3E-51 1.2E-56 441.5 0.0 406 348-765 1-511 (514)
36 UniRef100_UPI0000E11D80 Spike 100.0 9.8E-51 1.8E-56 423.9 0.0 278 299-576 36-313 (315)
37 UniRef100_A0A7D6LHD1 Non-struc 100.0 2.3E-49 4.9E-55 457.2 0.0 338 694-1060 362-712 (712)
38 UniRef100_Q6QHB0 Spike glycopr 100.0 5E-49 9.2E-55 402.6 0.0 272 93-373 1-272 (272)
39 UniRef100_W8PCB6 Spike protein 100.0 7.1E-48 1.3E-53 404.1 0.0 313 85-408 19-346 (347)
40 UniRef100_A0A0H3VDE9 Spike pro 100.0 1.2E-47 2.3E-53 410.7 0.0 298 2-334 30-351 (351)
41 UniRef100_A0A1L2ILV7 Spike gly 100.0 1.3E-46 2.3E-52 372.4 0.0 194 761-954 2-201 (202)
42 UniRef100_A0A0F7CYG7 Spike pro 100.0 5.1E-45 9.3E-51 367.9 0.0 200 728-930 1-225 (236)
43 UniRef100_A0A8K2ACR3 Nuclear e 100.0 8.1E-45 1.5E-50 395.8 0.0 237 289-525 2-238 (467)
44 UniRef100_A0A220F210 Spike pro 100.0 9.8E-45 1.8E-50 379.5 0.0 261 148-437 4-272 (333)
45 UniRef100_A0A7T6C1S9 Spike pro 100.0 2.5E-44 4.6E-50 374.5 0.0 298 251-556 2-314 (316)
46 UniRef100_A0A0B5GX78 Spike pro 100.0 2.9E-43 5.3E-49 382.0 0.0 366 304-681 1-470 (475)
47 UniRef100_A0A2U9I608 Spike pro 100.0 3.3E-43 6.1E-49 342.5 0.0 165 731-899 1-175 (175)
48 UniRef100_A0A6M6CD69 Spike gly 100.0 1.7E-42 3.1E-48 380.8 0.0 373 8-397 32-435 (582)
49 UniRef100_A0A0P0GRR3 Spike pro 100.0 4.7E-41 8.6E-47 338.3 0.0 219 156-397 6-226 (227)
50 UniRef100_A0A059XKM4 Spike pro 100.0 1E-40 1.8E-46 345.3 0.0 258 169-436 4-272 (291)
51 UniRef100_A0A024CI31 Spike pro 100.0 1.6E-38 3.3E-44 364.6 0.0 206 511-750 425-643 (644)
52 UniRef100_A0A096X762 Spike pro 100.0 9.6E-37 1.8E-42 282.3 0.0 111 975-1086 1-115 (115)
53 UniRef100_U5WHW8 Spike protein 100.0 3.9E-36 7.3E-42 306.0 0.0 224 346-587 2-225 (226)
54 UniRef100_X2CGA4 Spike protein 100.0 5.8E-36 1.1E-41 285.7 0.0 140 746-891 1-145 (145)
55 UniRef100_A0A2U9I5Y4 Spike pro 100.0 3.4E-35 6.3E-41 283.4 0.0 149 989-1138 2-156 (156)
56 UniRef100_A0A7G1PUB4 Spike pro 100.0 2.6E-34 5.2E-40 276.7 0.0 127 722-848 1-132 (133)
57 UniRef100_UPI00003B0AA1 E2 gly 100.0 1E-33 2.1E-39 275.9 0.0 86 886-971 3-88 (139)
58 UniRef100_UPI000A1C7A3E S prot 100.0 1.9E-33 3.5E-39 297.4 0.0 275 7-291 24-339 (342)
59 UniRef100_A0A2Z4KJM2 Spike gly 100.0 1.4E-32 2.5E-38 293.9 0.0 171 266-437 18-195 (380)
60 UniRef100_H9MFZ0 Spike protein 100.0 2.2E-32 4.1E-38 261.8 0.0 124 853-980 1-138 (138)
61 UniRef100_Q9WCD3 Surface glyco 99.9 6.4E-32 1.2E-37 253.7 0.0 126 822-951 1-126 (126)
62 UniRef100_A0A2P1G6J3 Spike gly 99.9 2.7E-30 5.3E-36 290.1 0.0 309 254-651 216-532 (532)
63 UniRef100_A0A499Q5S4 Spike (Fr 99.9 5.4E-30 1.1E-35 268.8 0.0 222 302-526 6-247 (251)
64 UniRef100_A0A8K2ACR3 Nuclear e 99.9 2.4E-29 4.5E-35 277.6 0.0 414 13-518 27-450 (467)
65 UniRef100_A0A514KFQ1 Spike pro 99.9 2.8E-26 5.2E-32 196.5 0.0 68 995-1062 1-68 (68)
66 UniRef100_A0A1V0CI80 Spike pro 99.9 7.7E-26 1.4E-31 214.7 0.0 122 761-882 2-129 (129)
67 UniRef100_Q5U8X2 S protein (Fr 99.9 1E-25 1.8E-31 221.1 0.0 117 1070-1189 1-122 (164)
68 UniRef100_A0A7M4C330 Spike pro 99.8 7.4E-25 1.4E-30 205.7 0.0 110 278-388 1-111 (112)
69 UniRef100_C8YZ70 Spike glycopr 99.8 2.5E-24 4.6E-30 227.0 0.0 266 469-768 14-295 (298)
70 UniRef100_UPI00108494E9 Spike 99.8 7.8E-24 1.5E-29 189.4 0.0 79 893-971 2-80 (80)
71 UniRef100_E9KKB9 S1 glycoprote 99.8 4.6E-22 8.5E-28 214.0 0.0 170 511-714 168-350 (350)
72 UniRef100_A0A6B9XCD3 Spike gly 99.8 8.9E-22 1.7E-27 211.0 0.0 217 357-573 2-317 (317)
73 UniRef100_A0A7T8EHU6 Spike gly 99.8 1.4E-21 2.5E-27 166.5 0.0 63 835-901 1-63 (63)
74 UniRef100_A7LIZ2 Spike protein 99.7 4.5E-21 8.3E-27 191.2 0.0 149 622-791 10-164 (175)
75 UniRef100_A0A077ERX2 S protein 99.7 7.4E-21 1.4E-26 194.1 0.0 119 1070-1190 4-143 (210)
76 UniRef100_A0A3S7SVT1 Spike pro 99.7 1.8E-20 3.6E-26 216.5 0.0 309 250-609 201-518 (591)
77 UniRef100_A0A7D6LHD1 Non-struc 99.7 6.2E-20 1.3E-25 218.6 0.0 283 290-582 358-676 (712)
78 UniRef100_H9MG45 Spike protein 99.6 2.9E-19 5.4E-25 172.3 0.0 95 863-961 1-109 (133)
79 UniRef100_A0A4P2V557 Spike pro 99.6 4.7E-19 8.6E-25 182.2 0.0 185 501-697 23-217 (217)
80 UniRef100_E1U195 Spike glycopr 99.6 4.2E-18 7.7E-24 176.7 0.0 197 8-230 3-213 (229)
81 UniRef100_UPI002240E4F8 Spike 99.6 4.2E-18 8E-24 179.1 0.0 126 895-1024 1-126 (242)
82 UniRef100_B0FG42 Spike protein 99.6 5.8E-18 1.1E-23 164.1 0.0 96 1094-1190 2-115 (122)
83 UniRef100_M1PF06 Spike glycopr 99.6 6.2E-18 1.1E-23 173.8 0.0 108 330-437 1-114 (211)
84 UniRef100_UPI002240E4F8 Spike 99.5 6.6E-17 1.3E-22 170.6 0.0 81 893-973 153-233 (242)
85 UniRef100_A0A7D6LHD1 Non-struc 99.4 2.3E-16 4.8E-22 189.7 0.0 261 1-278 362-648 (712)
86 UniRef100_Q6QJ40 Spike protein 99.4 4.5E-16 8.2E-22 155.9 0.0 125 3-132 21-145 (165)
87 UniRef100_UPI001FBC14EB SARS-C 99.4 6E-16 1.1E-21 163.6 0.0 75 897-971 183-257 (257)
88 UniRef100_T2BB95 S protein (Fr 99.4 8.5E-16 1.6E-21 162.0 0.0 168 7-177 41-241 (250)
89 UniRef100_UPI0008A09DF1 Spike 99.4 1.5E-15 2.8E-21 153.6 0.0 159 319-511 6-169 (176)
90 UniRef100_A0A0A7X7R5 Spike gly 99.3 8.1E-15 1.6E-20 160.4 0.0 98 510-611 188-293 (303)
91 UniRef100_T2KR30 Spike protein 99.2 1E-13 1.8E-19 114.7 0.0 48 839-890 1-48 (48)
92 UniRef100_E2DNU6 Spike glycopr 99.2 1.6E-13 2.9E-19 158.1 0.0 165 505-712 427-596 (596)
93 UniRef100_A0A088DJH4 BetaCoV S 99.2 1.7E-13 3.1E-19 154.4 0.0 245 31-287 61-322 (451)
94 UniRef100_A0A0A1EHX8 Spike gly 99.1 3.1E-13 5.7E-19 135.5 0.0 82 511-596 64-153 (155)
95 UniRef100_A0A6M8NL89 Surface g 99.1 5.6E-13 1E-18 129.9 0.0 120 569-688 2-121 (126)
96 UniRef100_A0A098GJU2 Spike pro 99.1 6.3E-13 1.2E-18 119.2 0.0 56 785-840 17-74 (74)
97 UniRef100_UPI0021506BE2 Spike 99.0 1.7E-12 3.2E-18 138.4 0.0 55 900-954 1-55 (250)
98 UniRef100_UPI0022656F4D Spike 99.0 4.4E-12 8E-18 131.5 0.0 102 319-421 7-108 (194)
99 UniRef100_UPI001CFC46DE Spike 98.7 1.5E-10 2.7E-16 101.5 0.0 50 900-949 7-56 (61)
100 UniRef100_UPI000BA9F96C Spike 98.7 2.6E-10 4.7E-16 101.3 0.0 62 761-822 4-65 (65)
101 UniRef100_UPI000D724CD3 Spike 98.6 5.9E-10 1.1E-15 112.8 0.0 55 901-955 1-69 (148)
102 UniRef100_A0A140HEV6 Spike pro 98.6 6E-10 1.1E-15 126.1 0.0 72 511-582 313-392 (397)
103 UniRef100_A0A0U4CKH3 Truncated 98.6 6E-10 1.1E-15 116.5 0.0 119 512-661 51-174 (190)
104 UniRef100_I3QKR4 Spike glycopr 98.6 6.6E-10 1.3E-15 137.2 0.0 85 509-599 672-756 (808)
105 UniRef100_UPI00006C21F1 Spike 98.5 1.2E-09 2.2E-15 94.5 0.0 50 1142-1191 3-52 (55)
106 UniRef100_A0A0A7DYL7 S1 protei 98.5 1.8E-09 3.4E-15 120.6 0.0 116 511-656 188-308 (339)
107 UniRef100_A0A2H4N6M1 Spike pro 98.3 9.9E-09 1.8E-14 120.9 0.0 152 512-705 423-580 (580)
108 UniRef100_A0A2H5ACN4 Spike pro 98.2 1.4E-08 3E-14 98.1 0.0 57 1131-1190 7-77 (84)
109 UniRef100_A0A075THU5 Spike pro 98.2 2.1E-08 3.9E-14 104.4 0.0 99 5-104 37-146 (172)
110 UniRef100_B2BGX7 Spike protein 98.2 2.1E-08 3.9E-14 97.7 0.0 99 532-640 1-100 (107)
111 UniRef100_E5Q348 Spike protein 98.2 2.5E-08 4.5E-14 90.6 0.0 45 685-731 25-69 (69)
112 UniRef100_C3S0H5 Spike protein 98.2 2.8E-08 5.2E-14 92.4 0.0 72 1104-1176 1-76 (76)
113 UniRef100_UPI0021506BE2 Spike 98.1 4.6E-08 8.5E-14 106.8 0.0 57 898-954 96-152 (250)
114 UniRef100_T2KSE6 Spike protein 98.1 7.7E-08 1.4E-13 78.0 0.0 30 841-870 3-32 (37)
115 UniRef100_A0A5B7M0Y4 Spike pro 98.0 9E-08 1.6E-13 104.4 0.0 75 500-574 164-242 (242)
116 UniRef100_UPI0021506BE2 Spike 98.0 1.2E-07 2.3E-13 103.8 0.0 54 898-951 193-246 (250)
117 UniRef100_UPI0000D79C3D E2 gly 98.0 1.4E-07 2.6E-13 87.7 0.0 39 927-965 1-39 (77)
118 UniRef100_A0A2H5ACN2 Spike pro 97.9 2.9E-07 5.7E-13 83.2 0.0 41 1144-1185 5-59 (59)
119 UniRef100_D3GDW7 Spike glycopr 97.8 5.2E-07 9.6E-13 91.9 0.0 98 6-104 18-126 (130)
120 UniRef100_A0A076ML67 Spike pro 97.8 6.3E-07 1.2E-12 97.9 0.0 69 511-580 149-217 (231)
121 UniRef100_A0A3Q8M6B4 Spike pro 97.7 7.4E-07 1.4E-12 70.7 0.0 32 855-890 1-32 (32)
122 UniRef100_A0A6M5WM48 Spike pro 97.4 8.2E-06 1.6E-11 65.9 0.0 32 848-883 1-32 (32)
123 UniRef100_I3QKB4 Spike protein 97.2 1.9E-05 3.4E-11 81.0 0.0 59 511-570 70-128 (128)
124 UniRef100_UPI0000ED4E97 Spike 97.1 3.1E-05 5.7E-11 77.7 0.0 47 909-955 12-58 (109)
125 UniRef100_A0A173G2R2 Spike pro 96.9 7.9E-05 1.4E-10 70.1 0.0 54 560-615 6-59 (71)
126 UniRef100_A0A6B9UZ41 Surface g 96.9 9E-05 1.7E-10 61.1 0.0 34 378-411 2-35 (35)
127 UniRef100_D3GDG1 S protein (Fr 96.9 9.8E-05 1.8E-10 73.5 0.0 77 5-82 6-85 (100)
128 UniRef100_UPI0021506BE2 Spike 95.5 0.0074 1.4E-08 69.7 0.0 52 1134-1187 42-93 (250)
129 UniRef100_A0A7D6QGV8 Non-struc 93.1 0.17 3.2E-07 67.3 0.0 194 305-506 592-807 (890)
130 UniRef100_A0A7D6QGV8 Non-struc 92.8 0.22 4E-07 66.5 0.0 197 13-228 601-806 (890)
131 UniRef100_A0A089FJG8 VP1 (Frag 91.6 0.44 8.3E-07 59.4 0.0 197 13-229 55-262 (323)
132 UniRef100_A0A1L3KJ41 S protein 89.0 1.1 2.3E-06 63.9 0.0 152 916-1076 683-834 (986)
133 UniRef100_A0A1E2YE46 Heat shoc 85.4 3.1 5.8E-06 46.4 0.0 40 934-973 62-105 (117)
134 UniRef100_A0A9D4KXP1 Uncharact 83.9 4.3 7.8E-06 58.6 0.0 114 882-997 979-1097(1690)
135 UniRef100_A0A0G2J7V5 Uncharact 82.4 5.4 1E-05 44.9 0.0 41 933-973 67-111 (122)
136 UniRef100_A0A8T7GN55 Carboxype 79.5 7.7 1.5E-05 52.5 0.0 83 908-992 265-350 (452)
137 UniRef100_A0A256Z473 Uncharact 79.3 6 1.5E-05 55.2 0.0 57 911-971 234-290 (434)
138 UniRef100_A0A177RC14 Uncharact 76.9 8.1 2.1E-05 52.7 0.0 81 892-972 80-169 (350)
139 UniRef100_A0A089FJG8 VP1 (Frag 71.7 18 3.5E-05 47.4 0.0 182 305-494 46-240 (323)
140 UniRef100_A0A2A4V052 Uroporphy 69.6 17 4.2E-05 51.7 0.0 113 874-1006 75-210 (443)
141 UniRef100_A0A024TLL1 SUN domai 64.5 32 6.3E-05 48.1 0.0 71 950-1020 404-475 (505)
142 UniRef100_A0A8T7GN55 Carboxype 64.2 33 6.4E-05 47.7 0.0 103 913-1025 224-326 (452)
143 UniRef100_A0A1H3SEM7 Uncharact 63.5 29 6.8E-05 53.6 0.0 84 914-1003 410-497 (1073)
144 UniRef100_A0A0M6WZY7 Methyl-ac 60.3 37 8.5E-05 50.4 0.0 108 904-1014 303-420 (629)
145 UniRef100_A0A099T2B5 Flagella 56.8 51 0.00011 46.7 0.0 96 878-973 160-267 (424)
146 UniRef100_A0A966KEI6 Uncharact 56.1 60 0.00011 40.5 0.0 33 958-990 77-114 (185)
147 UniRef100_A0A086WSP0 histidine 55.3 43 0.00012 52.3 0.0 113 904-1016 556-675 (947)
148 UniRef100_A0A084IMX3 Flagellar 54.7 47 0.00012 49.3 0.0 121 885-1009 362-491 (562)
149 UniRef100_A0A522D5R2 Methyl-ac 53.9 66 0.00013 48.2 0.0 105 904-1011 557-671 (895)
150 UniRef100_A0A0M9AIM7 HAMP doma 53.7 54 0.00013 49.6 0.0 104 900-1014 469-609 (686)
151 UniRef100_A0A0G0AQN9 Uncharact 53.0 60 0.00014 45.1 0.0 63 909-971 251-317 (323)
152 UniRef100_A0A060VPW2 Collectin 52.9 63 0.00014 50.1 0.0 111 898-1010 386-526 (1003)
153 UniRef100_A0A0P0N112 Uncharact 52.5 70 0.00014 48.1 0.0 73 875-950 690-768 (872)
154 UniRef100_A0A2P8VZ13 DUF1887 d 51.8 66 0.00015 47.9 0.0 97 874-978 40-139 (615)
155 UniRef100_UPI00138F4D11 hypoth 51.0 84 0.00015 46.1 0.0 124 894-1017 140-270 (917)
156 UniRef100_A0A1Q4RPT1 Uncharact 47.4 88 0.00019 48.2 0.0 47 906-952 328-374 (844)
157 UniRef100_A0A508A1J1 t-SNARE c 46.0 1E+02 0.00021 38.6 0.0 105 898-1004 5-126 (151)
158 UniRef100_A0A2M8PPH2 HAMP doma 43.5 1.2E+02 0.00024 42.4 0.0 116 858-973 210-330 (374)
159 UniRef100_A0A0F2QXD1 Chromosom 43.0 90 0.00025 43.6 0.0 94 880-973 86-203 (303)
160 UniRef100_A0A2K8N635 DUF1664 d 42.9 1.3E+02 0.00025 36.0 0.0 62 911-972 28-92 (123)
161 UniRef100_A0A073J5Y1 Mitochond 42.8 93 0.00025 46.3 0.0 49 946-994 256-311 (504)
162 UniRef100_A0A2M7CHH4 t-SNARE c 42.3 1.4E+02 0.00026 36.9 0.0 50 942-991 80-129 (155)
163 UniRef100_A0A161VQZ0 Uncharact 42.1 1.3E+02 0.00026 45.3 0.0 65 906-971 117-181 (625)
164 UniRef100_A0A9C9Z8J7 Uncharact 40.2 1.5E+02 0.00029 41.2 0.0 115 904-1018 37-158 (333)
165 UniRef100_A0A108TBW5 Chromosom 40.2 1.4E+02 0.00029 46.7 0.0 115 884-1002 371-521 (906)
SANT- 40.2 1.5E+02 0.00029 41.6 0.0 88 918-1006 297-386 (389)
167 UniRef100_A0A0P9EFA1 Phospholi 39.7 1.2E+02 0.0003 43.5 0.0 51 951-1001 266-318 (346)
168 UniRef100_A0A0K1E1L9 ABC-type 39.4 1.3E+02 0.00031 44.6 0.0 66 924-995 357-425 (457)
169 UniRef100_A0A662RX13 CARDB dom 39.0 1.7E+02 0.00032 42.6 0.0 68 944-1015 526-597 (679)
170 UniRef100_A0A258DE44 Methyl-ac 39.0 1.4E+02 0.00032 46.2 0.0 113 902-1014 268-389 (758)
171 UniRef100_A0A3N5X3Q3 Methyl-ac 38.9 1.4E+02 0.00032 46.1 0.0 75 903-977 389-466 (731)
172 UniRef100_A0A1H6XRX4 RHS repea 38.6 1.8E+02 0.00032 35.9 0.0 58 1131-1188 54-111 (143)
173 UniRef100_A0A2D0RDU5 Collectin 38.4 1.7E+02 0.00033 46.3 0.0 111 898-1011 286-427 (1287)
174 UniRef100_A0A010PRF4 DNA repai 38.2 1.2E+02 0.00033 48.2 0.0 113 899-1013 364-481 (871)
MobD 38.2 1.6E+02 0.00033 36.8 0.0 75 926-1001 10-92 (130)
176 UniRef100_A0A2E1ED93 DUF4164 d 38.2 1.7E+02 0.00033 36.9 0.0 78 914-999 62-139 (149)
177 UniRef100_A0A0F2JE98 Methyl-ac 38.1 1.2E+02 0.00033 47.9 0.0 20 904-923 387-406 (843)
178 UniRef100_A0A090J3L6 Fungal li 37.2 1.4E+02 0.00035 44.9 0.0 85 929-1017 409-505 (543)
MlaD 37.0 1.3E+02 0.00036 45.2 0.0 80 896-975 160-241 (528)
180 UniRef100_A0A971D0U2 MBG domai 36.9 1.9E+02 0.00036 44.2 0.0 112 884-998 439-560 (1073)
181 UniRef100_A0A066V366 Laminin d 35.2 1.7E+02 0.0004 44.1 0.0 82 884-965 331-414 (534)
182 UniRef100_A0A7V1ZE80 Uncharact 35.1 2.2E+02 0.0004 33.8 0.0 84 889-976 12-98 (106)
183 UniRef100_A0A2G6FCF6 Uncharact 35.0 1.6E+02 0.0004 42.6 0.0 92 917-1012 176-273 (368)
184 UniRef100_A0A143BML1 t-SNARE c 34.9 1.6E+02 0.00041 43.1 0.0 67 916-982 216-285 (405)
185 UniRef100_A0A087R1U4 Biogenesi 34.8 2E+02 0.00041 37.6 0.0 52 963-1014 115-172 (187)
186 UniRef100_A0A930IBI9 DUF2150 f 34.4 2E+02 0.00042 41.3 0.0 123 881-1012 32-155 (350)
187 UniRef100_A0A0B5QD04 Methyl-ac 34.4 1.4E+02 0.00042 46.5 0.0 99 905-1010 386-484 (716)
188 UniRef100_A0A063YYS5 Chemotaxi 34.2 1.6E+02 0.00042 45.2 0.0 209 801-1014 124-378 (608)
189 UniRef100_A0A010R662 Structura 34.1 1.7E+02 0.00043 50.1 0.0 126 862-1005 1224-1352(2106)
190 UniRef100_A0A0S2I2D1 Methyl-ac 34.0 1.7E+02 0.00043 44.9 0.0 101 904-1012 276-384 (596)
191 UniRef100_A0A430R550 SLH domai 33.9 2.1E+02 0.00043 41.4 0.0 81 918-998 169-260 (391)
192 UniRef100_A0A0Q6XJR0 DUF1983 d 33.5 2.1E+02 0.00044 44.3 0.0 84 889-972 151-234 (810)
193 UniRef100_A0A2J6GZL6 Methyl-ac 33.5 2E+02 0.00044 43.9 0.0 112 897-1013 261-387 (597)
194 UniRef100_A0A0G0TBH6 Glycosyl 33.2 1.9E+02 0.00045 46.4 0.0 88 884-976 247-337 (1006)
195 UniRef100_A0A090YQR3 Methyl-ac 33.2 1.6E+02 0.00045 44.5 0.0 58 904-965 188-245 (534)
196 UniRef100_A0A085M0A3 Laminin G 33.1 2.1E+02 0.00045 48.7 0.0 90 926-1019 1125-1225(2260)
197 UniRef100_A0A3M6V1P6 NACHT dom 32.7 2.4E+02 0.00046 46.3 0.0 123 894-1016 174-317 (2630)
198 UniRef100_A0A7M7G110 SUN domai 32.7 2.1E+02 0.00047 47.0 0.0 93 882-974 1096-1188(1404)
199 UniRef100_A0A022NAV7 Phage inf 32.5 2.1E+02 0.00047 46.5 0.0 18 1088-1105 829-846 (1158)
TolQ 32.3 1.8E+02 0.00048 45.2 0.0 88 881-968 349-441 (654)
201 UniRef100_A0A1Y5DYU7 Methyl-ac 32.3 2E+02 0.00048 43.7 0.0 60 904-963 231-297 (524)
202 UniRef100_A0A1G3KZN6 Methyl-ac 32.0 1.7E+02 0.00049 46.5 0.0 140 875-1015 430-585 (842)
203 UniRef100_A0A011T934 DNA repai 30.9 1.7E+02 0.00052 45.4 0.0 20 899-918 280-299 (685)
204 UniRef100_A0A1H7ZF10 Methyl-ac 30.3 2.6E+02 0.00054 42.4 0.0 70 903-976 303-372 (585)
205 UniRef100_A0A058ZLS1 Mitochond 30.2 1.9E+02 0.00054 43.6 0.0 26 949-974 254-279 (503)
206 UniRef100_A0A2T7PEL7 C-type le 30.2 2.1E+02 0.00055 45.2 0.0 36 936-971 396-431 (751)
207 UniRef100_A0A2G1ZU66 PAS domai 30.1 2.7E+02 0.00055 39.5 0.0 66 901-970 175-240 (318)
208 UniRef100_A0A022LC25 Phage inf 30.0 2.1E+02 0.00055 46.2 0.0 47 908-954 343-389 (914)
209 UniRef100_A0A1W9RT00 Methyl-ac 29.8 2.7E+02 0.00056 42.9 0.0 58 904-965 338-395 (672)
210 UniRef100_A0A0L6W2M0 Methyl-ac 29.6 2.8E+02 0.00057 42.2 0.0 64 917-980 224-290 (615)
211 UniRef100_A0A0B7BK04 Laminin s 29.2 2.4E+02 0.00058 50.1 0.0 130 880-1014 1815-1962(2999)
212 UniRef100_A0A1V4QXH2 t-SNARE c 29.2 3.2E+02 0.00058 35.2 0.0 105 893-1001 12-117 (177)
213 UniRef100_A0A6G0MKR0 Uncharact 29.1 3E+02 0.00059 36.6 0.0 97 881-986 58-155 (203)
214 UniRef100_A0A0Q2M686 DUF4226 d 28.7 2.5E+02 0.0006 42.9 0.0 106 919-1027 91-200 (529)
215 UniRef100_A0A6M4JDI9 Uncharact 28.7 3.1E+02 0.0006 41.4 0.0 44 1130-1173 263-307 (642)
216 UniRef100_A0A1F7F3E7 Chemotaxi 28.4 2.3E+02 0.00061 44.7 0.0 62 904-965 402-466 (734)
217 UniRef100_A0A074J9P9 Mitochond 28.4 2.2E+02 0.00061 43.5 0.0 24 850-873 201-224 (535)
218 UniRef100_A0A1E5FZ23 Chemotaxi 28.1 2.4E+02 0.00063 44.4 0.0 83 904-986 378-464 (707)
219 UniRef100_A0A6P4XPV2 Protein C 28.1 3.3E+02 0.00063 39.8 0.0 122 896-1026 40-161 (477)
220 UniRef100_A0A256Z473 Uncharact 28.1 2.4E+02 0.00063 42.1 0.0 58 946-1013 223-280 (434)
221 UniRef100_A0A023D339 Paraquat- 27.9 2.2E+02 0.00063 42.2 0.0 56 904-961 214-269 (423)
222 UniRef100_A0A1B6B8Z2 Methyl-ac 27.3 3.2E+02 0.00066 42.6 0.0 110 904-1013 393-509 (717)
223 UniRef100_A0A0B5QVB4 Methyl-ac 26.5 2.9E+02 0.0007 43.6 0.0 69 904-972 392-491 (717)
224 UniRef100_A0A090ECA4 Uncharact 26.3 2.5E+02 0.00071 42.2 0.0 76 899-974 184-259 (453)
225 UniRef100_A0A0E0UD06 Transmemb 25.7 3.3E+02 0.00074 41.4 0.0 101 923-1023 297-426 (500)
226 UniRef100_A0A0C1QQS9 Uncharact 25.3 3.2E+02 0.00076 43.4 0.0 42 877-918 80-128 (735)
227 UniRef100_A0A1T5BHF6 Two compo 25.3 3.1E+02 0.00076 45.1 0.0 80 895-974 833-912 (1089)
228 UniRef100_A0A6G7PUM8 HAMP doma 25.2 3.8E+02 0.00076 41.3 0.0 70 901-970 241-320 (656)
229 UniRef100_A0A0A2SF03 Chemotaxi 25.0 2.7E+02 0.00077 43.2 0.0 62 904-969 264-325 (596)
230 UniRef100_A0A0H4PKB4 Methyl-ac 24.9 3.4E+02 0.00078 40.8 0.0 105 908-1016 301-413 (439)
231 UniRef100_A0A0A8WMI4 Methyl-ac 24.1 3.1E+02 0.00083 43.8 0.0 107 907-1020 533-645 (746)
232 UniRef100_A0A3N2E798 peptidylp 23.9 3.8E+02 0.00084 41.4 0.0 130 883-1015 104-239 (569)
233 UniRef100_A0A101X814 Uncharact 23.8 3.9E+02 0.00085 40.5 0.0 27 887-913 15-41 (481)
234 UniRef100_A0A0K8MB15 Mce relat 23.3 3.4E+02 0.00088 39.6 0.0 97 897-999 187-291 (332)
235 UniRef100_A0A1A9R797 Phage tai 23.2 3.3E+02 0.00088 44.5 0.0 114 880-994 317-443 (932)
236 UniRef100_A0A017RUL3 Methyl-ac 23.2 2.9E+02 0.00088 43.9 0.0 65 907-975 589-653 (764)
237 UniRef100_A0A088F0Z2 CAP-Gly p 23.1 3.4E+02 0.00089 40.5 0.0 41 977-1017 274-314 (396)
238 UniRef100_A0A017RYD0 Methyl-ac 23.0 3.5E+02 0.00089 42.2 0.0 138 875-1016 211-365 (578)
239 UniRef100_A0A7C9QUS5 Uncharact 23.0 4.6E+02 0.00089 39.6 0.0 125 880-1005 235-380 (550)
240 UniRef100_UPI00187D7964 glycin 23.0 4.7E+02 0.0009 38.7 0.0 63 932-994 322-386 (478)
241 UniRef100_UPI0011DD142E hypoth 23.0 4.7E+02 0.0009 34.6 0.0 73 1101-1182 101-176 (186)
242 UniRef100_A0A108TBW5 Chromosom 22.9 4.2E+02 0.0009 42.7 0.0 105 898-1002 322-448 (906)
243 UniRef100_A0A0B7BK04 Laminin s 22.9 3.7E+02 0.0009 48.4 0.0 43 973-1016 1838-1880(2999)
244 UniRef100_A0A1G0YMZ8 DUF4175 d 22.8 3.4E+02 0.00091 44.6 0.0 72 947-1030 743-816 (962)
245 UniRef100_A0A7J4DUH4 V-type AT 22.8 4.6E+02 0.00091 32.8 0.0 53 917-969 14-67 (116)
246 UniRef100_A0A0C5VVM8 Chromosom 22.4 3.9E+02 0.00094 39.2 0.0 93 881-981 148-269 (340)
247 UniRef100_A0A084JNG3 Phage inf 22.4 3.8E+02 0.00094 42.9 0.0 72 904-975 299-374 (744)
248 UniRef100_A0A349B9T4 Uncharact 22.2 4.8E+02 0.00095 38.1 0.0 166 895-1069 140-322 (386)
249 UniRef100_A0A090ZUN6 Methyl-ac 22.2 3.2E+02 0.00096 42.8 0.0 58 904-965 277-334 (643)
250 UniRef100_A0A174RCF4 Septal ri 22.1 3.5E+02 0.00096 40.7 0.0 98 882-987 58-156 (429)
251 UniRef100_A0A1C5N4E2 Uncharact 21.8 4.1E+02 0.00098 38.1 0.0 85 922-1011 156-251 (282)
252 UniRef100_A0A3M6UUT1 Uncharact 21.6 4.5E+02 0.00099 37.4 0.0 46 928-973 67-112 (262)
253 UniRef100_A0A0A8X4T6 Uncharact 21.3 3.6E+02 0.001 38.5 0.0 87 882-973 45-132 (284)
254 UniRef100_A0A0K8JGA3 Methyl-ac 21.2 4.3E+02 0.001 40.5 0.0 185 835-1034 119-323 (481)
255 UniRef100_A0A258GQ73 Peptidogl 21.1 4.9E+02 0.001 43.4 0.0 78 898-975 416-500 (1310)
256 UniRef100_A0A0S3TX49 Uncharact 21.1 4E+02 0.001 42.8 0.0 68 902-977 176-244 (750)
257 UniRef100_A0A1Y0IFL3 50S ribos 21.1 3.9E+02 0.001 38.7 0.0 63 912-974 188-250 (309)
258 UniRef100_A0A5C8JGQ5 Phage tai 20.7 4.8E+02 0.0011 42.6 0.0 81 890-973 601-681 (923)
259 UniRef100_A0A1F3DI85 Uncharact 20.7 4.7E+02 0.0011 33.4 0.0 60 1120-1182 41-104 (119)
260 UniRef100_A0A0F5ASV0 Chemotaxi 20.5 4.4E+02 0.0011 39.7 0.0 101 904-1005 92-214 (410)
261 UniRef100_A0A068Z5M4 Type III 20.4 4.7E+02 0.0011 41.7 0.0 144 884-1027 119-309 (679)
262 UniRef100_A0A0E4GBT4 Methyl-ac 20.4 3.9E+02 0.0011 41.1 0.0 58 904-965 145-202 (508)
263 UniRef100_A0A2A5NXX2 t-SNARE c 20.3 4.8E+02 0.0011 33.4 0.0 37 937-973 21-57 (120)
INFO: STEP-1: Running strategy 1
(prefix: 'str', result_dir: 'Path', feature_dict: 'Dict[str, Any]', is_complex: 'bool', use_templates: 'bool', sequences_lengths: 'List[int]', pad_len: 'int', model_type: 'str', model_runner_and_params: 'List[Tuple[str, model.RunModel, haiku.Params]]', num_relax: 'int' = 0, rank_by: 'str' = 'auto', random_seed: 'int' = 0, num_seeds: 'int' = 1, stop_at_score: 'float' = 100, prediction_callback: 'Callable[[Any, Any, Any, Any, Any], Any]' = None, use_gpu_relax: 'bool' = False, save_all: 'bool' = False, save_single_representations: 'bool' = False, save_pair_representations: 'bool' = False, save_recycles: 'bool' = False)
chain_B
'S1_results' folder has been removed.
'S2_results' folder does not exist in the current directory.
'Vanilla_AF2_results' folder does not exist in the current directory.
'DAQ' folder has been removed.
'template' folder has been removed.
prediction.txt
5a4e3034f8981212b955983c7f8c5177_0e43d.a3m
5a4e3034f8981212b955983c7f8c5177_0e43d.csv
INFO: Input Protein Sequence and DAQ result file started
chain_B
Prepare trimmed template finished.
MSA finished.(if applicable)
INFO: Input Protein Sequence and DAQ result file Done
INFO: Modeling Part started
chain_B
MSA settings finished.
Advanced settings finished.
DAQ-Refine
Install dependencies finished.
GPU is not available.
chain_B
start running download_alphafold
2025-09-18 11:55:03,323 Unable to initialize backend 'rocm': NOT_FOUND: Could not find registered platform with name: "rocm". Available platform names are: Interpreter CUDA
2025-09-18 11:55:03,331 Unable to initialize backend 'tpu': module 'jaxlib.xla_extension' has no attribute 'get_tpu_client'
2025-09-18 11:55:19,560 Running on GPU
2025-09-18 11:55:20,214 Found 7 citations for tools or databases
1tmp.cif.bak.
1: 5a4e3034f8981212b955983c7f8c5177_0e43d (length 1191)
local msa started
2025-09-18 12:02:57,787 Sequence 0 found templates: ['1tmp_B', '1tmp_B', '1tmp_B']
local msa started
2025-09-18 12:11:26,772 Setting max_seq=334, max_extra_seq=1
2025-09-18 12:14:40,257 alphafold2_ptm_model_1_seed_000 recycle=0 pLDDT=85.8 pTM=0.775
2025-09-18 12:16:58,723 alphafold2_ptm_model_1_seed_000 recycle=1 pLDDT=86.4 pTM=0.787 tol=4.32
2025-09-18 12:16:58,736 alphafold2_ptm_model_1_seed_000 took 317.4s (1 recycles)
2025-09-18 12:19:19,495 alphafold2_ptm_model_2_seed_000 recycle=0 pLDDT=86.4 pTM=0.813
2025-09-18 12:21:38,633 alphafold2_ptm_model_2_seed_000 recycle=1 pLDDT=87.8 pTM=0.818 tol=6.43
2025-09-18 12:21:38,637 alphafold2_ptm_model_2_seed_000 took 277.9s (1 recycles)
2025-09-18 12:24:03,335 alphafold2_ptm_model_3_seed_000 recycle=0 pLDDT=66.4 pTM=0.435
2025-09-18 12:26:07,431 alphafold2_ptm_model_3_seed_000 recycle=1 pLDDT=69.8 pTM=0.472 tol=8.12
2025-09-18 12:26:07,435 alphafold2_ptm_model_3_seed_000 took 266.7s (1 recycles)
2025-09-18 12:28:13,063 alphafold2_ptm_model_4_seed_000 recycle=0 pLDDT=67.1 pTM=0.461
2025-09-18 12:30:17,076 alphafold2_ptm_model_4_seed_000 recycle=1 pLDDT=73.2 pTM=0.565 tol=8.89
2025-09-18 12:30:17,079 alphafold2_ptm_model_4_seed_000 took 247.5s (1 recycles)
2025-09-18 12:32:22,636 alphafold2_ptm_model_5_seed_000 recycle=0 pLDDT=61.8 pTM=0.5
2025-09-18 12:34:26,129 alphafold2_ptm_model_5_seed_000 recycle=1 pLDDT=68.6 pTM=0.555 tol=5.38
2025-09-18 12:34:26,133 alphafold2_ptm_model_5_seed_000 took 246.9s (1 recycles)
2025-09-18 12:34:28,297 reranking models by 'plddt' metric
2025-09-18 12:34:28,304 rank_001_alphafold2_ptm_model_2_seed_000 pLDDT=87.8 pTM=0.818
2025-09-18 12:34:28,318 rank_002_alphafold2_ptm_model_1_seed_000 pLDDT=86.4 pTM=0.787
2025-09-18 12:34:28,325 rank_003_alphafold2_ptm_model_4_seed_000 pLDDT=73.2 pTM=0.565
2025-09-18 12:34:28,333 rank_004_alphafold2_ptm_model_3_seed_000 pLDDT=69.8 pTM=0.472
2025-09-18 12:34:28,340 rank_005_alphafold2_ptm_model_5_seed_000 pLDDT=68.6 pTM=0.555
2025-09-18 12:34:34,482 Done
Prediction finished.
INFO: Modeling Part Done
chain_B
chain_B
align structure to input map
rank_001_alphafold2_ptm_model_2_seed_000_s1
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.7 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=-42452332 seed_offset=0 real_seed=-42452332
core.init.random: RandomGenerator:init: Normal mode, seed=-42452332 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.1 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
core.conformation.Conformation: Found disulfide between residues 1 120
core.conformation.Conformation: current variant for 1 CYS
core.conformation.Conformation: current variant for 120 CYS
core.conformation.Conformation: current variant for 1 CYD
core.conformation.Conformation: current variant for 120 CYD
core.conformation.Conformation: Found disulfide between residues 115 149
core.conformation.Conformation: current variant for 115 CYS
core.conformation.Conformation: current variant for 149 CYS
core.conformation.Conformation: current variant for 115 CYD
core.conformation.Conformation: current variant for 149 CYD
core.conformation.Conformation: Found disulfide between residues 274 284
core.conformation.Conformation: current variant for 274 CYS
core.conformation.Conformation: current variant for 284 CYS
core.conformation.Conformation: current variant for 274 CYD
core.conformation.Conformation: current variant for 284 CYD
core.conformation.Conformation: Found disulfide between residues 319 344
core.conformation.Conformation: current variant for 319 CYS
core.conformation.Conformation: current variant for 344 CYS
core.conformation.Conformation: current variant for 319 CYD
core.conformation.Conformation: current variant for 344 CYD
core.conformation.Conformation: Found disulfide between residues 362 415
core.conformation.Conformation: current variant for 362 CYS
core.conformation.Conformation: current variant for 415 CYS
core.conformation.Conformation: current variant for 362 CYD
core.conformation.Conformation: current variant for 415 CYD
core.conformation.Conformation: Found disulfide between residues 463 471
core.conformation.Conformation: current variant for 463 CYS
core.conformation.Conformation: current variant for 471 CYS
core.conformation.Conformation: current variant for 463 CYD
core.conformation.Conformation: current variant for 471 CYD
core.conformation.Conformation: Found disulfide between residues 521 573
core.conformation.Conformation: current variant for 521 CYS
core.conformation.Conformation: current variant for 573 CYS
core.conformation.Conformation: current variant for 521 CYD
core.conformation.Conformation: current variant for 573 CYD
core.conformation.Conformation: Found disulfide between residues 600 632
core.conformation.Conformation: current variant for 600 CYS
core.conformation.Conformation: current variant for 632 CYS
core.conformation.Conformation: current variant for 600 CYD
core.conformation.Conformation: current variant for 632 CYD
core.conformation.Conformation: Found disulfide between residues 645 654
core.conformation.Conformation: current variant for 645 CYS
core.conformation.Conformation: current variant for 654 CYS
core.conformation.Conformation: current variant for 645 CYD
core.conformation.Conformation: current variant for 654 CYD
core.conformation.Conformation: Found disulfide between residues 721 743
core.conformation.Conformation: current variant for 721 CYS
core.conformation.Conformation: current variant for 743 CYS
core.conformation.Conformation: current variant for 721 CYD
core.conformation.Conformation: current variant for 743 CYD
core.conformation.Conformation: Found disulfide between residues 726 732
core.conformation.Conformation: current variant for 726 CYS
core.conformation.Conformation: current variant for 732 CYS
core.conformation.Conformation: current variant for 726 CYD
core.conformation.Conformation: current variant for 732 CYD
core.conformation.Conformation: Found disulfide between residues 823 834
core.conformation.Conformation: current variant for 823 CYS
core.conformation.Conformation: current variant for 834 CYS
core.conformation.Conformation: current variant for 823 CYD
core.conformation.Conformation: current variant for 834 CYD
core.conformation.Conformation: Found disulfide between residues 1015 1026
core.conformation.Conformation: current variant for 1015 CYS
core.conformation.Conformation: current variant for 1026 CYS
core.conformation.Conformation: current variant for 1015 CYD
core.conformation.Conformation: current variant for 1026 CYD
core.conformation.Conformation: Found disulfide between residues 1065 1109
core.conformation.Conformation: current variant for 1065 CYS
core.conformation.Conformation: current variant for 1109 CYS
core.conformation.Conformation: current variant for 1065 CYD
core.conformation.Conformation: current variant for 1109 CYD
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.7A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: celldim: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.7
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (1192)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (1192)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
26.5454 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.26 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat -3392.93 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 23107 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 63528424 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -21116.8 1.13748 1.13748 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20954 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 52876464 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20940 1.31443 1.31443 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20456 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 50253060 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20802.6 1.45759 1.45759 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19902 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 47367892 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20558.7 1.53293 1.53293 0.55
protocols.relax.FastRelax: MRP: 0 -20558.7 -20558.7 1.53293 1.53293
protocols.relax.FastRelax: CMD: accept_to_best -20558.7 1.53293 1.53293 0.55
protocols.relax.FastRelax: CMD: endrepeat -20558.7 1.53293 1.53293 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 23206 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 62403660 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -21904.1 1.62976 1.62976 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20827 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 52837216 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -21284 1.64274 1.64274 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20297 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 49517860 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -21004.1 1.68546 1.68546 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19791 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 46940108 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20718.9 1.71822 1.71822 0.55
protocols.relax.FastRelax: MRP: 1 -20718.9 -20718.9 1.71822 1.71822
protocols.relax.FastRelax: CMD: accept_to_best -20718.9 1.71822 1.71822 0.55
protocols.relax.FastRelax: CMD: endrepeat -20718.9 1.71822 1.71822 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 2005 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 2006 seconds
chain_B
align structure to input map
rank_002_alphafold2_ptm_model_1_seed_000_s1
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.7 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=-1678924739 seed_offset=0 real_seed=-1678924739
core.init.random: RandomGenerator:init: Normal mode, seed=-1678924739 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.12 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
core.conformation.Conformation: Found disulfide between residues 1 120
core.conformation.Conformation: current variant for 1 CYS
core.conformation.Conformation: current variant for 120 CYS
core.conformation.Conformation: current variant for 1 CYD
core.conformation.Conformation: current variant for 120 CYD
core.conformation.Conformation: Found disulfide between residues 115 149
core.conformation.Conformation: current variant for 115 CYS
core.conformation.Conformation: current variant for 149 CYS
core.conformation.Conformation: current variant for 115 CYD
core.conformation.Conformation: current variant for 149 CYD
core.conformation.Conformation: Found disulfide between residues 274 284
core.conformation.Conformation: current variant for 274 CYS
core.conformation.Conformation: current variant for 284 CYS
core.conformation.Conformation: current variant for 274 CYD
core.conformation.Conformation: current variant for 284 CYD
core.conformation.Conformation: Found disulfide between residues 319 344
core.conformation.Conformation: current variant for 319 CYS
core.conformation.Conformation: current variant for 344 CYS
core.conformation.Conformation: current variant for 319 CYD
core.conformation.Conformation: current variant for 344 CYD
core.conformation.Conformation: Found disulfide between residues 362 415
core.conformation.Conformation: current variant for 362 CYS
core.conformation.Conformation: current variant for 415 CYS
core.conformation.Conformation: current variant for 362 CYD
core.conformation.Conformation: current variant for 415 CYD
core.conformation.Conformation: Found disulfide between residues 374 508
core.conformation.Conformation: current variant for 374 CYS
core.conformation.Conformation: current variant for 508 CYS
core.conformation.Conformation: current variant for 374 CYD
core.conformation.Conformation: current variant for 508 CYD
core.conformation.Conformation: Found disulfide between residues 463 471
core.conformation.Conformation: current variant for 463 CYS
core.conformation.Conformation: current variant for 471 CYS
core.conformation.Conformation: current variant for 463 CYD
core.conformation.Conformation: current variant for 471 CYD
core.conformation.Conformation: Found disulfide between residues 521 573
core.conformation.Conformation: current variant for 521 CYS
core.conformation.Conformation: current variant for 573 CYS
core.conformation.Conformation: current variant for 521 CYD
core.conformation.Conformation: current variant for 573 CYD
core.conformation.Conformation: Found disulfide between residues 600 632
core.conformation.Conformation: current variant for 600 CYS
core.conformation.Conformation: current variant for 632 CYS
core.conformation.Conformation: current variant for 600 CYD
core.conformation.Conformation: current variant for 632 CYD
core.conformation.Conformation: Found disulfide between residues 645 654
core.conformation.Conformation: current variant for 645 CYS
core.conformation.Conformation: current variant for 654 CYS
core.conformation.Conformation: current variant for 645 CYD
core.conformation.Conformation: current variant for 654 CYD
core.conformation.Conformation: Found disulfide between residues 721 743
core.conformation.Conformation: current variant for 721 CYS
core.conformation.Conformation: current variant for 743 CYS
core.conformation.Conformation: current variant for 721 CYD
core.conformation.Conformation: current variant for 743 CYD
core.conformation.Conformation: Found disulfide between residues 726 732
core.conformation.Conformation: current variant for 726 CYS
core.conformation.Conformation: current variant for 732 CYS
core.conformation.Conformation: current variant for 726 CYD
core.conformation.Conformation: current variant for 732 CYD
core.conformation.Conformation: Found disulfide between residues 823 834
core.conformation.Conformation: current variant for 823 CYS
core.conformation.Conformation: current variant for 834 CYS
core.conformation.Conformation: current variant for 823 CYD
core.conformation.Conformation: current variant for 834 CYD
core.conformation.Conformation: Found disulfide between residues 1015 1026
core.conformation.Conformation: current variant for 1015 CYS
core.conformation.Conformation: current variant for 1026 CYS
core.conformation.Conformation: current variant for 1015 CYD
core.conformation.Conformation: current variant for 1026 CYD
core.conformation.Conformation: Found disulfide between residues 1065 1109
core.conformation.Conformation: current variant for 1065 CYS
core.conformation.Conformation: current variant for 1109 CYS
core.conformation.Conformation: current variant for 1065 CYD
core.conformation.Conformation: current variant for 1109 CYD
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.7A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: celldim: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.7
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (1192)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (1192)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
26.5454 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.22 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 11.1776 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22880 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 63616008 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20485.1 1.18028 1.18028 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20854 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 53849536 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20265.8 1.34825 1.34825 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20401 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 50629776 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20131.1 1.52322 1.52322 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19794 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 47562404 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -19908.7 1.64887 1.64887 0.55
protocols.relax.FastRelax: MRP: 0 -19908.7 -19908.7 1.64887 1.64887
protocols.relax.FastRelax: CMD: accept_to_best -19908.7 1.64887 1.64887 0.55
protocols.relax.FastRelax: CMD: endrepeat -19908.7 1.64887 1.64887 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 23134 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 62869316 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -21277.3 1.73005 1.73005 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20959 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 53664688 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20631 1.74237 1.74237 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20289 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 49996172 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20353.8 1.77708 1.77708 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19671 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 47251512 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20067.4 1.81809 1.81809 0.55
protocols.relax.FastRelax: MRP: 1 -20067.4 -20067.4 1.81809 1.81809
protocols.relax.FastRelax: CMD: accept_to_best -20067.4 1.81809 1.81809 0.55
protocols.relax.FastRelax: CMD: endrepeat -20067.4 1.81809 1.81809 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 1867 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 1868 seconds
Query Chain A
Match_columns 1191
No_of_seqs 330 out of 578
Neff 5.39932
Searched_HMMs 55448
Date Thu Sep 18 13:47:57 2025
UniRef30_2023_02
No Hit Prob E-value P-value Score SS Cols Query HMM Template HMM
1 UniRef100_A0A023NGM8 Spike gly 100.0 7E-293 2E-298 2610.7 0.0 1162 7-1191 40-1238(1305)
2 UniRef100_A0A6B9WHD3 Spike gly 100.0 5E-245 9E-251 2042.7 0.0 1191 1-1191 107-1300(1402)
3 UniRef100_A0A059SQG9 Spike gly 100.0 5E-238 1E-243 2027.4 0.0 1133 2-1191 41-1305(1369)
4 UniRef100_A0A023J7F0 Spike gly 100.0 4E-194 9E-200 1747.9 0.0 631 510-1191 843-1516(1590)
5 UniRef100_A0A023PLR7 Spike pro 100.0 2E-183 3E-189 1607.9 0.0 640 510-1190 424-1091(1183)
6 UniRef100_A0A077JJK7 Spike gly 100.0 6E-178 1E-183 1571.6 0.0 643 510-1191 685-1391(1458)
7 UniRef100_A0A077ERD3 S protein 100.0 2E-169 4E-175 1413.2 0.0 617 546-1190 5-675 (742)
8 UniRef100_A0A7S8R8N8 Spike pro 100.0 2E-168 3E-174 1386.5 0.0 783 403-1191 1-783 (848)
9 UniRef100_A0A1V0G2X7 Spike pro 100.0 7E-164 1E-169 1372.5 0.0 831 342-1191 2-932 (996)
10 UniRef100_A0A0U1WJW4 Spike gly 100.0 8E-164 2E-169 1431.5 0.0 836 247-1191 326-1176(1246)
11 UniRef100_A0A172Q3Q5 S2 protei 100.0 1E-163 3E-169 1376.2 0.0 536 637-1191 12-558 (632)
12 UniRef100_A0A166ZND9 Spike pro 100.0 4E-154 8E-160 1282.1 0.0 831 1-865 19-850 (852)
13 UniRef100_A0A1B0V2R4 Truncated 100.0 2E-128 4E-134 1076.0 0.0 868 7-892 41-983 (983)
14 UniRef100_A0A6G7KUJ6 Spike pro 100.0 5E-120 9E-126 1037.6 0.0 653 495-1191 698-1420(1492)
15 UniRef100_A0A0A1EBA0 Spike gly 100.0 2E-118 3E-124 1005.5 0.0 775 4-824 35-937 (937)
16 UniRef100_A0A068JC13 Spike pro 100.0 4E-113 8E-119 926.0 0.0 359 825-1190 3-396 (463)
17 UniRef100_A0A059XF70 Spike pro 100.0 2E-109 4E-115 874.9 0.0 350 697-1050 1-355 (356)
18 UniRef100_A0A077EXM1 S protein 100.0 1.8E-89 3.2E-95 700.0 0.0 263 809-1075 1-279 (297)
19 UniRef100_B2L0T8 Spike glycopr 100.0 6.9E-87 1.3E-92 741.4 0.0 427 511-975 428-872 (872)
20 UniRef100_Q6SRF2 Spike glycopr 100.0 1.8E-76 3.2E-82 629.1 0.0 424 3-440 21-444 (446)
21 UniRef100_A0A411PZD9 Spike (Fr 100.0 4E-76 7.3E-82 643.3 0.0 588 249-915 9-630 (631)
22 UniRef100_A0A411PZE7 Spike (Fr 100.0 1.8E-74 3.4E-80 641.1 0.0 587 250-915 200-820 (821)
23 UniRef100_A0A146AAK6 Spike pro 100.0 9E-74 1.7E-79 631.6 0.0 512 7-531 41-613 (613)
24 UniRef100_A0A1B0YTV9 Spike pro 100.0 4.5E-73 8.8E-79 568.8 0.0 194 834-1031 1-208 (210)
25 UniRef100_A0A096X736 Spike pro 100.0 1.2E-69 2.4E-75 567.4 0.0 217 971-1190 1-242 (287)
26 UniRef100_A0A6B9D8M7 S protein 100.0 4.8E-69 8.8E-75 555.6 0.0 255 934-1191 1-258 (319)
27 UniRef100_I6RE14 Spike protein 100.0 1.2E-68 2.2E-74 559.2 0.0 330 568-946 1-359 (360)
28 UniRef100_Q52R85 Spike protein 100.0 2.9E-64 5.3E-70 544.2 0.0 363 509-904 138-526 (526)
29 UniRef100_A0A6B9CZC3 S protein 100.0 1.5E-59 2.9E-65 514.5 0.0 395 3-437 30-455 (599)
30 UniRef100_A0A068B023 Spike pro 100.0 7.6E-59 1.5E-64 538.4 0.0 333 507-891 635-978 (978)
31 UniRef100_A0A0P0H4V9 Spike pro 100.0 3.6E-57 7.2E-63 478.2 0.0 294 86-412 2-300 (305)
32 UniRef100_UPI000A1C7A47 Spike 100.0 4.6E-54 9.4E-60 462.4 0.0 313 1-317 26-341 (351)
33 UniRef100_W5ZZU6 S protein (Fr 100.0 4.9E-53 8.9E-59 452.0 0.0 396 207-615 16-431 (442)
34 UniRef100_A0A2P1GNP6 Spike pro 100.0 1.6E-51 3E-57 463.2 0.0 472 692-1190 369-848 (906)
35 UniRef100_A0A0G2T197 Spike pro 100.0 6.3E-51 1.2E-56 441.5 0.0 406 348-765 1-511 (514)
36 UniRef100_UPI0000E11D80 Spike 100.0 9.8E-51 1.8E-56 423.9 0.0 278 299-576 36-313 (315)
37 UniRef100_A0A7D6LHD1 Non-struc 100.0 2.3E-49 4.9E-55 457.2 0.0 338 694-1060 362-712 (712)
38 UniRef100_Q6QHB0 Spike glycopr 100.0 5E-49 9.2E-55 402.6 0.0 272 93-373 1-272 (272)
39 UniRef100_W8PCB6 Spike protein 100.0 7.1E-48 1.3E-53 404.1 0.0 313 85-408 19-346 (347)
40 UniRef100_A0A0H3VDE9 Spike pro 100.0 1.2E-47 2.3E-53 410.7 0.0 298 2-334 30-351 (351)
41 UniRef100_A0A1L2ILV7 Spike gly 100.0 1.3E-46 2.3E-52 372.4 0.0 194 761-954 2-201 (202)
42 UniRef100_A0A0F7CYG7 Spike pro 100.0 5.1E-45 9.3E-51 367.9 0.0 200 728-930 1-225 (236)
43 UniRef100_A0A8K2ACR3 Nuclear e 100.0 8.1E-45 1.5E-50 395.8 0.0 237 289-525 2-238 (467)
44 UniRef100_A0A220F210 Spike pro 100.0 9.8E-45 1.8E-50 379.5 0.0 261 148-437 4-272 (333)
45 UniRef100_A0A7T6C1S9 Spike pro 100.0 2.5E-44 4.6E-50 374.5 0.0 298 251-556 2-314 (316)
46 UniRef100_A0A0B5GX78 Spike pro 100.0 2.9E-43 5.3E-49 382.0 0.0 366 304-681 1-470 (475)
47 UniRef100_A0A2U9I608 Spike pro 100.0 3.3E-43 6.1E-49 342.5 0.0 165 731-899 1-175 (175)
48 UniRef100_A0A6M6CD69 Spike gly 100.0 1.7E-42 3.1E-48 380.8 0.0 373 8-397 32-435 (582)
49 UniRef100_A0A0P0GRR3 Spike pro 100.0 4.7E-41 8.6E-47 338.3 0.0 219 156-397 6-226 (227)
50 UniRef100_A0A059XKM4 Spike pro 100.0 1E-40 1.8E-46 345.3 0.0 258 169-436 4-272 (291)
51 UniRef100_A0A024CI31 Spike pro 100.0 1.6E-38 3.3E-44 364.6 0.0 206 511-750 425-643 (644)
52 UniRef100_A0A096X762 Spike pro 100.0 9.6E-37 1.8E-42 282.3 0.0 111 975-1086 1-115 (115)
53 UniRef100_U5WHW8 Spike protein 100.0 3.9E-36 7.3E-42 306.0 0.0 224 346-587 2-225 (226)
54 UniRef100_X2CGA4 Spike protein 100.0 5.8E-36 1.1E-41 285.7 0.0 140 746-891 1-145 (145)
55 UniRef100_A0A2U9I5Y4 Spike pro 100.0 3.4E-35 6.3E-41 283.4 0.0 149 989-1138 2-156 (156)
56 UniRef100_A0A7G1PUB4 Spike pro 100.0 2.6E-34 5.2E-40 276.7 0.0 127 722-848 1-132 (133)
57 UniRef100_UPI00003B0AA1 E2 gly 100.0 1E-33 2.1E-39 275.9 0.0 86 886-971 3-88 (139)
58 UniRef100_UPI000A1C7A3E S prot 100.0 1.9E-33 3.5E-39 297.4 0.0 275 7-291 24-339 (342)
59 UniRef100_A0A2Z4KJM2 Spike gly 100.0 1.4E-32 2.5E-38 293.9 0.0 171 266-437 18-195 (380)
60 UniRef100_H9MFZ0 Spike protein 100.0 2.2E-32 4.1E-38 261.8 0.0 124 853-980 1-138 (138)
61 UniRef100_Q9WCD3 Surface glyco 99.9 6.4E-32 1.2E-37 253.7 0.0 126 822-951 1-126 (126)
62 UniRef100_A0A2P1G6J3 Spike gly 99.9 2.7E-30 5.3E-36 290.1 0.0 309 254-651 216-532 (532)
63 UniRef100_A0A499Q5S4 Spike (Fr 99.9 5.4E-30 1.1E-35 268.8 0.0 222 302-526 6-247 (251)
64 UniRef100_A0A8K2ACR3 Nuclear e 99.9 2.4E-29 4.5E-35 277.6 0.0 414 13-518 27-450 (467)
65 UniRef100_A0A514KFQ1 Spike pro 99.9 2.8E-26 5.2E-32 196.5 0.0 68 995-1062 1-68 (68)
66 UniRef100_A0A1V0CI80 Spike pro 99.9 7.7E-26 1.4E-31 214.7 0.0 122 761-882 2-129 (129)
67 UniRef100_Q5U8X2 S protein (Fr 99.9 1E-25 1.8E-31 221.1 0.0 117 1070-1189 1-122 (164)
68 UniRef100_A0A7M4C330 Spike pro 99.8 7.4E-25 1.4E-30 205.7 0.0 110 278-388 1-111 (112)
69 UniRef100_C8YZ70 Spike glycopr 99.8 2.5E-24 4.6E-30 227.0 0.0 266 469-768 14-295 (298)
70 UniRef100_UPI00108494E9 Spike 99.8 7.8E-24 1.5E-29 189.4 0.0 79 893-971 2-80 (80)
71 UniRef100_E9KKB9 S1 glycoprote 99.8 4.6E-22 8.5E-28 214.0 0.0 170 511-714 168-350 (350)
72 UniRef100_A0A6B9XCD3 Spike gly 99.8 8.9E-22 1.7E-27 211.0 0.0 217 357-573 2-317 (317)
73 UniRef100_A0A7T8EHU6 Spike gly 99.8 1.4E-21 2.5E-27 166.5 0.0 63 835-901 1-63 (63)
74 UniRef100_A7LIZ2 Spike protein 99.7 4.5E-21 8.3E-27 191.2 0.0 149 622-791 10-164 (175)
75 UniRef100_A0A077ERX2 S protein 99.7 7.4E-21 1.4E-26 194.1 0.0 119 1070-1190 4-143 (210)
76 UniRef100_A0A3S7SVT1 Spike pro 99.7 1.8E-20 3.6E-26 216.5 0.0 309 250-609 201-518 (591)
77 UniRef100_A0A7D6LHD1 Non-struc 99.7 6.2E-20 1.3E-25 218.6 0.0 283 290-582 358-676 (712)
78 UniRef100_H9MG45 Spike protein 99.6 2.9E-19 5.4E-25 172.3 0.0 95 863-961 1-109 (133)
79 UniRef100_A0A4P2V557 Spike pro 99.6 4.7E-19 8.6E-25 182.2 0.0 185 501-697 23-217 (217)
80 UniRef100_E1U195 Spike glycopr 99.6 4.2E-18 7.7E-24 176.7 0.0 197 8-230 3-213 (229)
81 UniRef100_UPI002240E4F8 Spike 99.6 4.2E-18 8E-24 179.1 0.0 126 895-1024 1-126 (242)
82 UniRef100_B0FG42 Spike protein 99.6 5.8E-18 1.1E-23 164.1 0.0 96 1094-1190 2-115 (122)
83 UniRef100_M1PF06 Spike glycopr 99.6 6.2E-18 1.1E-23 173.8 0.0 108 330-437 1-114 (211)
84 UniRef100_UPI002240E4F8 Spike 99.5 6.6E-17 1.3E-22 170.6 0.0 81 893-973 153-233 (242)
85 UniRef100_A0A7D6LHD1 Non-struc 99.4 2.3E-16 4.8E-22 189.7 0.0 261 1-278 362-648 (712)
86 UniRef100_Q6QJ40 Spike protein 99.4 4.5E-16 8.2E-22 155.9 0.0 125 3-132 21-145 (165)
87 UniRef100_UPI001FBC14EB SARS-C 99.4 6E-16 1.1E-21 163.6 0.0 75 897-971 183-257 (257)
88 UniRef100_T2BB95 S protein (Fr 99.4 8.5E-16 1.6E-21 162.0 0.0 168 7-177 41-241 (250)
89 UniRef100_UPI0008A09DF1 Spike 99.4 1.5E-15 2.8E-21 153.6 0.0 159 319-511 6-169 (176)
90 UniRef100_A0A0A7X7R5 Spike gly 99.3 8.1E-15 1.6E-20 160.4 0.0 98 510-611 188-293 (303)
91 UniRef100_T2KR30 Spike protein 99.2 1E-13 1.8E-19 114.7 0.0 48 839-890 1-48 (48)
92 UniRef100_E2DNU6 Spike glycopr 99.2 1.6E-13 2.9E-19 158.1 0.0 165 505-712 427-596 (596)
93 UniRef100_A0A088DJH4 BetaCoV S 99.2 1.7E-13 3.1E-19 154.4 0.0 245 31-287 61-322 (451)
94 UniRef100_A0A0A1EHX8 Spike gly 99.1 3.1E-13 5.7E-19 135.5 0.0 82 511-596 64-153 (155)
95 UniRef100_A0A6M8NL89 Surface g 99.1 5.6E-13 1E-18 129.9 0.0 120 569-688 2-121 (126)
96 UniRef100_A0A098GJU2 Spike pro 99.1 6.3E-13 1.2E-18 119.2 0.0 56 785-840 17-74 (74)
97 UniRef100_UPI0021506BE2 Spike 99.0 1.7E-12 3.2E-18 138.4 0.0 55 900-954 1-55 (250)
98 UniRef100_UPI0022656F4D Spike 99.0 4.4E-12 8E-18 131.5 0.0 102 319-421 7-108 (194)
99 UniRef100_UPI001CFC46DE Spike 98.7 1.5E-10 2.7E-16 101.5 0.0 50 900-949 7-56 (61)
100 UniRef100_UPI000BA9F96C Spike 98.7 2.6E-10 4.7E-16 101.3 0.0 62 761-822 4-65 (65)
101 UniRef100_UPI000D724CD3 Spike 98.6 5.9E-10 1.1E-15 112.8 0.0 55 901-955 1-69 (148)
102 UniRef100_A0A140HEV6 Spike pro 98.6 6E-10 1.1E-15 126.1 0.0 72 511-582 313-392 (397)
103 UniRef100_A0A0U4CKH3 Truncated 98.6 6E-10 1.1E-15 116.5 0.0 119 512-661 51-174 (190)
104 UniRef100_I3QKR4 Spike glycopr 98.6 6.6E-10 1.3E-15 137.2 0.0 85 509-599 672-756 (808)
105 UniRef100_UPI00006C21F1 Spike 98.5 1.2E-09 2.2E-15 94.5 0.0 50 1142-1191 3-52 (55)
106 UniRef100_A0A0A7DYL7 S1 protei 98.5 1.8E-09 3.4E-15 120.6 0.0 116 511-656 188-308 (339)
107 UniRef100_A0A2H4N6M1 Spike pro 98.3 9.9E-09 1.8E-14 120.9 0.0 152 512-705 423-580 (580)
108 UniRef100_A0A2H5ACN4 Spike pro 98.2 1.4E-08 3E-14 98.1 0.0 57 1131-1190 7-77 (84)
109 UniRef100_A0A075THU5 Spike pro 98.2 2.1E-08 3.9E-14 104.4 0.0 99 5-104 37-146 (172)
110 UniRef100_B2BGX7 Spike protein 98.2 2.1E-08 3.9E-14 97.7 0.0 99 532-640 1-100 (107)
111 UniRef100_E5Q348 Spike protein 98.2 2.5E-08 4.5E-14 90.6 0.0 45 685-731 25-69 (69)
112 UniRef100_C3S0H5 Spike protein 98.2 2.8E-08 5.2E-14 92.4 0.0 72 1104-1176 1-76 (76)
113 UniRef100_UPI0021506BE2 Spike 98.1 4.6E-08 8.5E-14 106.8 0.0 57 898-954 96-152 (250)
114 UniRef100_T2KSE6 Spike protein 98.1 7.7E-08 1.4E-13 78.0 0.0 30 841-870 3-32 (37)
115 UniRef100_A0A5B7M0Y4 Spike pro 98.0 9E-08 1.6E-13 104.4 0.0 75 500-574 164-242 (242)
116 UniRef100_UPI0021506BE2 Spike 98.0 1.2E-07 2.3E-13 103.8 0.0 54 898-951 193-246 (250)
117 UniRef100_UPI0000D79C3D E2 gly 98.0 1.4E-07 2.6E-13 87.7 0.0 39 927-965 1-39 (77)
118 UniRef100_A0A2H5ACN2 Spike pro 97.9 2.9E-07 5.7E-13 83.2 0.0 41 1144-1185 5-59 (59)
119 UniRef100_D3GDW7 Spike glycopr 97.8 5.2E-07 9.6E-13 91.9 0.0 98 6-104 18-126 (130)
120 UniRef100_A0A076ML67 Spike pro 97.8 6.3E-07 1.2E-12 97.9 0.0 69 511-580 149-217 (231)
121 UniRef100_A0A3Q8M6B4 Spike pro 97.7 7.4E-07 1.4E-12 70.7 0.0 32 855-890 1-32 (32)
122 UniRef100_A0A6M5WM48 Spike pro 97.4 8.2E-06 1.6E-11 65.9 0.0 32 848-883 1-32 (32)
123 UniRef100_I3QKB4 Spike protein 97.2 1.9E-05 3.4E-11 81.0 0.0 59 511-570 70-128 (128)
124 UniRef100_UPI0000ED4E97 Spike 97.1 3.1E-05 5.7E-11 77.7 0.0 47 909-955 12-58 (109)
125 UniRef100_A0A173G2R2 Spike pro 96.9 7.9E-05 1.4E-10 70.1 0.0 54 560-615 6-59 (71)
126 UniRef100_A0A6B9UZ41 Surface g 96.9 9E-05 1.7E-10 61.1 0.0 34 378-411 2-35 (35)
127 UniRef100_D3GDG1 S protein (Fr 96.9 9.8E-05 1.8E-10 73.5 0.0 77 5-82 6-85 (100)
128 UniRef100_UPI0021506BE2 Spike 95.5 0.0074 1.4E-08 69.7 0.0 52 1134-1187 42-93 (250)
129 UniRef100_A0A7D6QGV8 Non-struc 93.1 0.17 3.2E-07 67.3 0.0 194 305-506 592-807 (890)
130 UniRef100_A0A7D6QGV8 Non-struc 92.8 0.22 4E-07 66.5 0.0 197 13-228 601-806 (890)
131 UniRef100_A0A089FJG8 VP1 (Frag 91.6 0.44 8.3E-07 59.4 0.0 197 13-229 55-262 (323)
132 UniRef100_A0A1L3KJ41 S protein 89.0 1.1 2.3E-06 63.9 0.0 152 916-1076 683-834 (986)
133 UniRef100_A0A1E2YE46 Heat shoc 85.4 3.1 5.8E-06 46.4 0.0 40 934-973 62-105 (117)
134 UniRef100_A0A9D4KXP1 Uncharact 83.9 4.3 7.8E-06 58.6 0.0 114 882-997 979-1097(1690)
135 UniRef100_A0A0G2J7V5 Uncharact 82.4 5.4 1E-05 44.9 0.0 41 933-973 67-111 (122)
136 UniRef100_A0A8T7GN55 Carboxype 79.5 7.7 1.5E-05 52.5 0.0 83 908-992 265-350 (452)
137 UniRef100_A0A256Z473 Uncharact 79.3 6 1.5E-05 55.2 0.0 57 911-971 234-290 (434)
138 UniRef100_A0A177RC14 Uncharact 76.9 8.1 2.1E-05 52.7 0.0 81 892-972 80-169 (350)
139 UniRef100_A0A089FJG8 VP1 (Frag 71.7 18 3.5E-05 47.4 0.0 182 305-494 46-240 (323)
140 UniRef100_A0A2A4V052 Uroporphy 69.6 17 4.2E-05 51.7 0.0 113 874-1006 75-210 (443)
141 UniRef100_A0A024TLL1 SUN domai 64.5 32 6.3E-05 48.1 0.0 71 950-1020 404-475 (505)
142 UniRef100_A0A8T7GN55 Carboxype 64.2 33 6.4E-05 47.7 0.0 103 913-1025 224-326 (452)
143 UniRef100_A0A1H3SEM7 Uncharact 63.5 29 6.8E-05 53.6 0.0 84 914-1003 410-497 (1073)
144 UniRef100_A0A0M6WZY7 Methyl-ac 60.3 37 8.5E-05 50.4 0.0 108 904-1014 303-420 (629)
145 UniRef100_A0A099T2B5 Flagella 56.8 51 0.00011 46.7 0.0 96 878-973 160-267 (424)
146 UniRef100_A0A966KEI6 Uncharact 56.1 60 0.00011 40.5 0.0 33 958-990 77-114 (185)
147 UniRef100_A0A086WSP0 histidine 55.3 43 0.00012 52.3 0.0 113 904-1016 556-675 (947)
148 UniRef100_A0A084IMX3 Flagellar 54.7 47 0.00012 49.3 0.0 121 885-1009 362-491 (562)
149 UniRef100_A0A522D5R2 Methyl-ac 53.9 66 0.00013 48.2 0.0 105 904-1011 557-671 (895)
150 UniRef100_A0A0M9AIM7 HAMP doma 53.7 54 0.00013 49.6 0.0 104 900-1014 469-609 (686)
151 UniRef100_A0A0G0AQN9 Uncharact 53.0 60 0.00014 45.1 0.0 63 909-971 251-317 (323)
152 UniRef100_A0A060VPW2 Collectin 52.9 63 0.00014 50.1 0.0 111 898-1010 386-526 (1003)
153 UniRef100_A0A0P0N112 Uncharact 52.5 70 0.00014 48.1 0.0 73 875-950 690-768 (872)
154 UniRef100_A0A2P8VZ13 DUF1887 d 51.8 66 0.00015 47.9 0.0 97 874-978 40-139 (615)
155 UniRef100_UPI00138F4D11 hypoth 51.0 84 0.00015 46.1 0.0 124 894-1017 140-270 (917)
156 UniRef100_A0A1Q4RPT1 Uncharact 47.4 88 0.00019 48.2 0.0 47 906-952 328-374 (844)
157 UniRef100_A0A508A1J1 t-SNARE c 46.0 1E+02 0.00021 38.6 0.0 105 898-1004 5-126 (151)
158 UniRef100_A0A2M8PPH2 HAMP doma 43.5 1.2E+02 0.00024 42.4 0.0 116 858-973 210-330 (374)
159 UniRef100_A0A0F2QXD1 Chromosom 43.0 90 0.00025 43.6 0.0 94 880-973 86-203 (303)
160 UniRef100_A0A2K8N635 DUF1664 d 42.9 1.3E+02 0.00025 36.0 0.0 62 911-972 28-92 (123)
161 UniRef100_A0A073J5Y1 Mitochond 42.8 93 0.00025 46.3 0.0 49 946-994 256-311 (504)
162 UniRef100_A0A2M7CHH4 t-SNARE c 42.3 1.4E+02 0.00026 36.9 0.0 50 942-991 80-129 (155)
163 UniRef100_A0A161VQZ0 Uncharact 42.1 1.3E+02 0.00026 45.3 0.0 65 906-971 117-181 (625)
164 UniRef100_A0A9C9Z8J7 Uncharact 40.2 1.5E+02 0.00029 41.2 0.0 115 904-1018 37-158 (333)
165 UniRef100_A0A108TBW5 Chromosom 40.2 1.4E+02 0.00029 46.7 0.0 115 884-1002 371-521 (906)
SANT- 40.2 1.5E+02 0.00029 41.6 0.0 88 918-1006 297-386 (389)
167 UniRef100_A0A0P9EFA1 Phospholi 39.7 1.2E+02 0.0003 43.5 0.0 51 951-1001 266-318 (346)
168 UniRef100_A0A0K1E1L9 ABC-type 39.4 1.3E+02 0.00031 44.6 0.0 66 924-995 357-425 (457)
169 UniRef100_A0A662RX13 CARDB dom 39.0 1.7E+02 0.00032 42.6 0.0 68 944-1015 526-597 (679)
170 UniRef100_A0A258DE44 Methyl-ac 39.0 1.4E+02 0.00032 46.2 0.0 113 902-1014 268-389 (758)
171 UniRef100_A0A3N5X3Q3 Methyl-ac 38.9 1.4E+02 0.00032 46.1 0.0 75 903-977 389-466 (731)
172 UniRef100_A0A1H6XRX4 RHS repea 38.6 1.8E+02 0.00032 35.9 0.0 58 1131-1188 54-111 (143)
173 UniRef100_A0A2D0RDU5 Collectin 38.4 1.7E+02 0.00033 46.3 0.0 111 898-1011 286-427 (1287)
174 UniRef100_A0A010PRF4 DNA repai 38.2 1.2E+02 0.00033 48.2 0.0 113 899-1013 364-481 (871)
MobD 38.2 1.6E+02 0.00033 36.8 0.0 75 926-1001 10-92 (130)
176 UniRef100_A0A2E1ED93 DUF4164 d 38.2 1.7E+02 0.00033 36.9 0.0 78 914-999 62-139 (149)
177 UniRef100_A0A0F2JE98 Methyl-ac 38.1 1.2E+02 0.00033 47.9 0.0 20 904-923 387-406 (843)
178 UniRef100_A0A090J3L6 Fungal li 37.2 1.4E+02 0.00035 44.9 0.0 85 929-1017 409-505 (543)
MlaD 37.0 1.3E+02 0.00036 45.2 0.0 80 896-975 160-241 (528)
180 UniRef100_A0A971D0U2 MBG domai 36.9 1.9E+02 0.00036 44.2 0.0 112 884-998 439-560 (1073)
181 UniRef100_A0A066V366 Laminin d 35.2 1.7E+02 0.0004 44.1 0.0 82 884-965 331-414 (534)
182 UniRef100_A0A7V1ZE80 Uncharact 35.1 2.2E+02 0.0004 33.8 0.0 84 889-976 12-98 (106)
183 UniRef100_A0A2G6FCF6 Uncharact 35.0 1.6E+02 0.0004 42.6 0.0 92 917-1012 176-273 (368)
184 UniRef100_A0A143BML1 t-SNARE c 34.9 1.6E+02 0.00041 43.1 0.0 67 916-982 216-285 (405)
185 UniRef100_A0A087R1U4 Biogenesi 34.8 2E+02 0.00041 37.6 0.0 52 963-1014 115-172 (187)
186 UniRef100_A0A930IBI9 DUF2150 f 34.4 2E+02 0.00042 41.3 0.0 123 881-1012 32-155 (350)
187 UniRef100_A0A0B5QD04 Methyl-ac 34.4 1.4E+02 0.00042 46.5 0.0 99 905-1010 386-484 (716)
188 UniRef100_A0A063YYS5 Chemotaxi 34.2 1.6E+02 0.00042 45.2 0.0 209 801-1014 124-378 (608)
189 UniRef100_A0A010R662 Structura 34.1 1.7E+02 0.00043 50.1 0.0 126 862-1005 1224-1352(2106)
190 UniRef100_A0A0S2I2D1 Methyl-ac 34.0 1.7E+02 0.00043 44.9 0.0 101 904-1012 276-384 (596)
191 UniRef100_A0A430R550 SLH domai 33.9 2.1E+02 0.00043 41.4 0.0 81 918-998 169-260 (391)
192 UniRef100_A0A0Q6XJR0 DUF1983 d 33.5 2.1E+02 0.00044 44.3 0.0 84 889-972 151-234 (810)
193 UniRef100_A0A2J6GZL6 Methyl-ac 33.5 2E+02 0.00044 43.9 0.0 112 897-1013 261-387 (597)
194 UniRef100_A0A0G0TBH6 Glycosyl 33.2 1.9E+02 0.00045 46.4 0.0 88 884-976 247-337 (1006)
195 UniRef100_A0A090YQR3 Methyl-ac 33.2 1.6E+02 0.00045 44.5 0.0 58 904-965 188-245 (534)
196 UniRef100_A0A085M0A3 Laminin G 33.1 2.1E+02 0.00045 48.7 0.0 90 926-1019 1125-1225(2260)
197 UniRef100_A0A7M7G110 SUN domai 32.7 2.1E+02 0.00047 47.0 0.0 93 882-974 1096-1188(1404)
198 UniRef100_A0A022NAV7 Phage inf 32.5 2.1E+02 0.00047 46.5 0.0 18 1088-1105 829-846 (1158)
TolQ 32.3 1.8E+02 0.00048 45.2 0.0 88 881-968 349-441 (654)
200 UniRef100_A0A1Y5DYU7 Methyl-ac 32.3 2E+02 0.00048 43.7 0.0 60 904-963 231-297 (524)
201 UniRef100_A0A1G3KZN6 Methyl-ac 32.0 1.7E+02 0.00049 46.5 0.0 140 875-1015 430-585 (842)
202 UniRef100_A0A011T934 DNA repai 30.9 1.7E+02 0.00052 45.4 0.0 20 899-918 280-299 (685)
203 UniRef100_A0A1H7ZF10 Methyl-ac 30.3 2.6E+02 0.00054 42.4 0.0 70 903-976 303-372 (585)
204 UniRef100_A0A058ZLS1 Mitochond 30.2 1.9E+02 0.00054 43.6 0.0 26 949-974 254-279 (503)
205 UniRef100_A0A2T7PEL7 C-type le 30.2 2.1E+02 0.00055 45.2 0.0 36 936-971 396-431 (751)
206 UniRef100_A0A2G1ZU66 PAS domai 30.1 2.7E+02 0.00055 39.5 0.0 66 901-970 175-240 (318)
207 UniRef100_A0A022LC25 Phage inf 30.0 2.1E+02 0.00055 46.2 0.0 47 908-954 343-389 (914)
208 UniRef100_A0A1W9RT00 Methyl-ac 29.8 2.7E+02 0.00056 42.9 0.0 58 904-965 338-395 (672)
209 UniRef100_A0A0L6W2M0 Methyl-ac 29.6 2.8E+02 0.00057 42.2 0.0 64 917-980 224-290 (615)
210 UniRef100_A0A0B7BK04 Laminin s 29.2 2.4E+02 0.00058 50.1 0.0 130 880-1014 1815-1962(2999)
211 UniRef100_A0A1V4QXH2 t-SNARE c 29.2 3.2E+02 0.00058 35.2 0.0 105 893-1001 12-117 (177)
212 UniRef100_A0A6G0MKR0 Uncharact 29.1 3E+02 0.00059 36.6 0.0 97 881-986 58-155 (203)
213 UniRef100_A0A0Q2M686 DUF4226 d 28.7 2.5E+02 0.0006 42.9 0.0 106 919-1027 91-200 (529)
214 UniRef100_A0A6M4JDI9 Uncharact 28.7 3.1E+02 0.0006 41.4 0.0 44 1130-1173 263-307 (642)
215 UniRef100_A0A1F7F3E7 Chemotaxi 28.4 2.3E+02 0.00061 44.7 0.0 62 904-965 402-466 (734)
216 UniRef100_A0A074J9P9 Mitochond 28.4 2.2E+02 0.00061 43.5 0.0 24 850-873 201-224 (535)
217 UniRef100_A0A1E5FZ23 Chemotaxi 28.1 2.4E+02 0.00063 44.4 0.0 83 904-986 378-464 (707)
218 UniRef100_A0A6P4XPV2 Protein C 28.1 3.3E+02 0.00063 39.8 0.0 122 896-1026 40-161 (477)
219 UniRef100_A0A256Z473 Uncharact 28.1 2.4E+02 0.00063 42.1 0.0 58 946-1013 223-280 (434)
220 UniRef100_A0A023D339 Paraquat- 27.9 2.2E+02 0.00063 42.2 0.0 56 904-961 214-269 (423)
221 UniRef100_A0A1B6B8Z2 Methyl-ac 27.3 3.2E+02 0.00066 42.6 0.0 110 904-1013 393-509 (717)
222 UniRef100_A0A0B5QVB4 Methyl-ac 26.5 2.9E+02 0.0007 43.6 0.0 69 904-972 392-491 (717)
223 UniRef100_A0A090ECA4 Uncharact 26.3 2.5E+02 0.00071 42.2 0.0 76 899-974 184-259 (453)
224 UniRef100_A0A0E0UD06 Transmemb 25.7 3.3E+02 0.00074 41.4 0.0 101 923-1023 297-426 (500)
225 UniRef100_A0A0C1QQS9 Uncharact 25.3 3.2E+02 0.00076 43.4 0.0 42 877-918 80-128 (735)
226 UniRef100_A0A1T5BHF6 Two compo 25.3 3.1E+02 0.00076 45.1 0.0 80 895-974 833-912 (1089)
227 UniRef100_A0A6G7PUM8 HAMP doma 25.2 3.8E+02 0.00076 41.3 0.0 70 901-970 241-320 (656)
228 UniRef100_A0A0A2SF03 Chemotaxi 25.0 2.7E+02 0.00077 43.2 0.0 62 904-969 264-325 (596)
229 UniRef100_A0A0H4PKB4 Methyl-ac 24.9 3.4E+02 0.00078 40.8 0.0 105 908-1016 301-413 (439)
230 UniRef100_A0A0A8WMI4 Methyl-ac 24.1 3.1E+02 0.00083 43.8 0.0 107 907-1020 533-645 (746)
231 UniRef100_A0A3N2E798 peptidylp 23.9 3.8E+02 0.00084 41.4 0.0 130 883-1015 104-239 (569)
232 UniRef100_A0A101X814 Uncharact 23.8 3.9E+02 0.00085 40.5 0.0 27 887-913 15-41 (481)
233 UniRef100_A0A0K8MB15 Mce relat 23.3 3.4E+02 0.00088 39.6 0.0 97 897-999 187-291 (332)
234 UniRef100_A0A1A9R797 Phage tai 23.2 3.3E+02 0.00088 44.5 0.0 114 880-994 317-443 (932)
235 UniRef100_A0A017RUL3 Methyl-ac 23.2 2.9E+02 0.00088 43.9 0.0 65 907-975 589-653 (764)
236 UniRef100_A0A088F0Z2 CAP-Gly p 23.1 3.4E+02 0.00089 40.5 0.0 41 977-1017 274-314 (396)
237 UniRef100_A0A017RYD0 Methyl-ac 23.0 3.5E+02 0.00089 42.2 0.0 138 875-1016 211-365 (578)
238 UniRef100_A0A7C9QUS5 Uncharact 23.0 4.6E+02 0.00089 39.6 0.0 125 880-1005 235-380 (550)
239 UniRef100_UPI00187D7964 glycin 23.0 4.7E+02 0.0009 38.7 0.0 63 932-994 322-386 (478)
240 UniRef100_UPI0011DD142E hypoth 23.0 4.7E+02 0.0009 34.6 0.0 73 1101-1182 101-176 (186)
241 UniRef100_A0A108TBW5 Chromosom 22.9 4.2E+02 0.0009 42.7 0.0 105 898-1002 322-448 (906)
242 UniRef100_A0A0B7BK04 Laminin s 22.9 3.7E+02 0.0009 48.4 0.0 43 973-1016 1838-1880(2999)
243 UniRef100_A0A1G0YMZ8 DUF4175 d 22.8 3.4E+02 0.00091 44.6 0.0 72 947-1030 743-816 (962)
244 UniRef100_A0A7J4DUH4 V-type AT 22.8 4.6E+02 0.00091 32.8 0.0 53 917-969 14-67 (116)
245 UniRef100_A0A0C5VVM8 Chromosom 22.4 3.9E+02 0.00094 39.2 0.0 93 881-981 148-269 (340)
246 UniRef100_A0A084JNG3 Phage inf 22.4 3.8E+02 0.00094 42.9 0.0 72 904-975 299-374 (744)
247 UniRef100_A0A349B9T4 Uncharact 22.2 4.8E+02 0.00095 38.1 0.0 166 895-1069 140-322 (386)
248 UniRef100_A0A090ZUN6 Methyl-ac 22.2 3.2E+02 0.00096 42.8 0.0 58 904-965 277-334 (643)
249 UniRef100_A0A174RCF4 Septal ri 22.1 3.5E+02 0.00096 40.7 0.0 98 882-987 58-156 (429)
250 UniRef100_A0A1C5N4E2 Uncharact 21.8 4.1E+02 0.00098 38.1 0.0 85 922-1011 156-251 (282)
251 UniRef100_A0A3M6UUT1 Uncharact 21.6 4.5E+02 0.00099 37.4 0.0 46 928-973 67-112 (262)
252 UniRef100_A0A0A8X4T6 Uncharact 21.3 3.6E+02 0.001 38.5 0.0 87 882-973 45-132 (284)
253 UniRef100_A0A0K8JGA3 Methyl-ac 21.2 4.3E+02 0.001 40.5 0.0 185 835-1034 119-323 (481)
254 UniRef100_A0A258GQ73 Peptidogl 21.1 4.9E+02 0.001 43.4 0.0 78 898-975 416-500 (1310)
255 UniRef100_A0A0S3TX49 Uncharact 21.1 4E+02 0.001 42.8 0.0 68 902-977 176-244 (750)
256 UniRef100_A0A1Y0IFL3 50S ribos 21.1 3.9E+02 0.001 38.7 0.0 63 912-974 188-250 (309)
257 UniRef100_A0A5C8JGQ5 Phage tai 20.7 4.8E+02 0.0011 42.6 0.0 81 890-973 601-681 (923)
258 UniRef100_A0A1F3DI85 Uncharact 20.7 4.7E+02 0.0011 33.4 0.0 60 1120-1182 41-104 (119)
259 UniRef100_A0A0F5ASV0 Chemotaxi 20.5 4.4E+02 0.0011 39.7 0.0 101 904-1005 92-214 (410)
260 UniRef100_A0A068Z5M4 Type III 20.4 4.7E+02 0.0011 41.7 0.0 144 884-1027 119-309 (679)
261 UniRef100_A0A0E4GBT4 Methyl-ac 20.4 3.9E+02 0.0011 41.1 0.0 58 904-965 145-202 (508)
262 UniRef100_A0A2A5NXX2 t-SNARE c 20.3 4.8E+02 0.0011 33.4 0.0 37 937-973 21-57 (120)
Align structures finished.
====================================================================Modeling finished====================================================================
Selected strategy mode: strategy 1
Input query sequence: CVNLTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHAISGTNGTKRFDNPVLPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLGVYHKNNKSWMESEFRVYSSANNCTFEYVSQPFLMDLEGKQGNFKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQTLLALHRSYLTPGDSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLTGTGVLTESNKKFLPFQQFGRDIDDTTDAVRDPQTLEILDITPCSFGGVSVITPGTNTSNQVAVLYQGVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEHVNNSYECDIPIGAGICASYQTQTNSHGSASSVASQSIIAYTMSLGAENSVAYSNNSIAIPINFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQEVFAQVKQIYKTPPIKDFGGFNFSQILPDPSKPSKRSFIEDLLFNKVTLADAGFIKQYGDCLGDIAARDLICAQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGAALQIPFAMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTASALGKLQDVVNQNAQALNTLVKQLSSNFGAISSVLNDILARLDPPEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPAICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTHNTFVSGNCDVVIGIVNNTVYDPLQPELDSFKEELDKYFKNHTSPDVDLGDISGINASVVNIQKEIDRLNEVAKNLNESLIDLQELGKYEQ
Job ID: 5a4e3034f8981212b955983c7f8c5177_0e43d
Number of models to use: 0
Template mode: custom
DAQ
====================================================================Modeling finished====================================================================
INFO: STEP-2: Running Vanilla AF2
(prefix: 'str', result_dir: 'Path', feature_dict: 'Dict[str, Any]', is_complex: 'bool', use_templates: 'bool', sequences_lengths: 'List[int]', pad_len: 'int', model_type: 'str', model_runner_and_params: 'List[Tuple[str, model.RunModel, haiku.Params]]', num_relax: 'int' = 0, rank_by: 'str' = 'auto', random_seed: 'int' = 0, num_seeds: 'int' = 1, stop_at_score: 'float' = 100, prediction_callback: 'Callable[[Any, Any, Any, Any, Any], Any]' = None, use_gpu_relax: 'bool' = False, save_all: 'bool' = False, save_single_representations: 'bool' = False, save_pair_representations: 'bool' = False, save_recycles: 'bool' = False)
INFO: Input Protein Sequence and DAQ result file started
chain_B
Prepare trimmed template finished.
MSA finished.(if applicable)
INFO: Input Protein Sequence and DAQ result file Done
INFO: Modeling Part started
chain_B
MSA settings finished.
Advanced settings finished.
DAQ-Refine
Install dependencies finished.
GPU is not available.
chain_B
start running download_alphafold
local msa started
Prediction finished.
INFO: Modeling Part Done
chain_B
chain_B
align structure to input map
rank_001_alphafold2_ptm_model_4_seed_000_af2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.7 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=1015874715 seed_offset=0 real_seed=1015874715
core.init.random: RandomGenerator:init: Normal mode, seed=1015874715 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.08 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
core.conformation.Conformation: Found disulfide between residues 1 120
core.conformation.Conformation: current variant for 1 CYS
core.conformation.Conformation: current variant for 120 CYS
core.conformation.Conformation: current variant for 1 CYD
core.conformation.Conformation: current variant for 120 CYD
core.conformation.Conformation: Found disulfide between residues 115 149
core.conformation.Conformation: current variant for 115 CYS
core.conformation.Conformation: current variant for 149 CYS
core.conformation.Conformation: current variant for 115 CYD
core.conformation.Conformation: current variant for 149 CYD
core.conformation.Conformation: Found disulfide between residues 274 284
core.conformation.Conformation: current variant for 274 CYS
core.conformation.Conformation: current variant for 284 CYS
core.conformation.Conformation: current variant for 274 CYD
core.conformation.Conformation: current variant for 284 CYD
core.conformation.Conformation: Found disulfide between residues 319 344
core.conformation.Conformation: current variant for 319 CYS
core.conformation.Conformation: current variant for 344 CYS
core.conformation.Conformation: current variant for 319 CYD
core.conformation.Conformation: current variant for 344 CYD
core.conformation.Conformation: Found disulfide between residues 362 415
core.conformation.Conformation: current variant for 362 CYS
core.conformation.Conformation: current variant for 415 CYS
core.conformation.Conformation: current variant for 362 CYD
core.conformation.Conformation: current variant for 415 CYD
core.conformation.Conformation: Found disulfide between residues 374 508
core.conformation.Conformation: current variant for 374 CYS
core.conformation.Conformation: current variant for 508 CYS
core.conformation.Conformation: current variant for 374 CYD
core.conformation.Conformation: current variant for 508 CYD
core.conformation.Conformation: Found disulfide between residues 463 471
core.conformation.Conformation: current variant for 463 CYS
core.conformation.Conformation: current variant for 471 CYS
core.conformation.Conformation: current variant for 463 CYD
core.conformation.Conformation: current variant for 471 CYD
core.conformation.Conformation: Found disulfide between residues 521 573
core.conformation.Conformation: current variant for 521 CYS
core.conformation.Conformation: current variant for 573 CYS
core.conformation.Conformation: current variant for 521 CYD
core.conformation.Conformation: current variant for 573 CYD
core.conformation.Conformation: Found disulfide between residues 600 632
core.conformation.Conformation: current variant for 600 CYS
core.conformation.Conformation: current variant for 632 CYS
core.conformation.Conformation: current variant for 600 CYD
core.conformation.Conformation: current variant for 632 CYD
core.conformation.Conformation: Found disulfide between residues 645 654
core.conformation.Conformation: current variant for 645 CYS
core.conformation.Conformation: current variant for 654 CYS
core.conformation.Conformation: current variant for 645 CYD
core.conformation.Conformation: current variant for 654 CYD
core.conformation.Conformation: Found disulfide between residues 721 743
core.conformation.Conformation: current variant for 721 CYS
core.conformation.Conformation: current variant for 743 CYS
core.conformation.Conformation: current variant for 721 CYD
core.conformation.Conformation: current variant for 743 CYD
core.conformation.Conformation: Found disulfide between residues 823 834
core.conformation.Conformation: current variant for 823 CYS
core.conformation.Conformation: current variant for 834 CYS
core.conformation.Conformation: current variant for 823 CYD
core.conformation.Conformation: current variant for 834 CYD
core.conformation.Conformation: Found disulfide between residues 1015 1026
core.conformation.Conformation: current variant for 1015 CYS
core.conformation.Conformation: current variant for 1026 CYS
core.conformation.Conformation: current variant for 1015 CYD
core.conformation.Conformation: current variant for 1026 CYD
core.conformation.Conformation: Found disulfide between residues 1065 1109
core.conformation.Conformation: current variant for 1065 CYS
core.conformation.Conformation: current variant for 1109 CYS
core.conformation.Conformation: current variant for 1065 CYD
core.conformation.Conformation: current variant for 1109 CYD
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.7A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: celldim: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.7
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (1192)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (1192)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
26.5454 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.22 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 10654.9 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22752 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 60357436 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -12103.3 0.997535 0.997535 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20682 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 51840436 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -11707 1.25883 1.25883 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19949 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 48456332 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -11597.9 1.53273 1.53273 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19392 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 45799768 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -11414.4 1.76108 1.76108 0.55
protocols.relax.FastRelax: MRP: 0 -11414.4 -11414.4 1.76108 1.76108
protocols.relax.FastRelax: CMD: accept_to_best -11414.4 1.76108 1.76108 0.55
protocols.relax.FastRelax: CMD: endrepeat -11414.4 1.76108 1.76108 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22987 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 61918972 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -13678.8 2.06595 2.06595 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20032 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 49851576 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -12581.7 2.10719 2.10719 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19570 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 47187736 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -12260.8 2.28998 2.28998 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19305 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 45611232 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -12028.7 2.50982 2.50982 0.55
protocols.relax.FastRelax: MRP: 1 -12028.7 -12028.7 2.50982 2.50982
protocols.relax.FastRelax: CMD: accept_to_best -12028.7 2.50982 2.50982 0.55
protocols.relax.FastRelax: CMD: endrepeat -12028.7 2.50982 2.50982 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 1878 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 1878 seconds
chain_B
align structure to input map
rank_002_alphafold2_ptm_model_2_seed_000_af2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.7 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=295650036 seed_offset=0 real_seed=295650036
core.init.random: RandomGenerator:init: Normal mode, seed=295650036 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.12 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
core.conformation.Conformation: Found disulfide between residues 1 120
core.conformation.Conformation: current variant for 1 CYS
core.conformation.Conformation: current variant for 120 CYS
core.conformation.Conformation: current variant for 1 CYD
core.conformation.Conformation: current variant for 120 CYD
core.conformation.Conformation: Found disulfide between residues 115 149
core.conformation.Conformation: current variant for 115 CYS
core.conformation.Conformation: current variant for 149 CYS
core.conformation.Conformation: current variant for 115 CYD
core.conformation.Conformation: current variant for 149 CYD
core.conformation.Conformation: Found disulfide between residues 274 284
core.conformation.Conformation: current variant for 274 CYS
core.conformation.Conformation: current variant for 284 CYS
core.conformation.Conformation: current variant for 274 CYD
core.conformation.Conformation: current variant for 284 CYD
core.conformation.Conformation: Found disulfide between residues 319 344
core.conformation.Conformation: current variant for 319 CYS
core.conformation.Conformation: current variant for 344 CYS
core.conformation.Conformation: current variant for 319 CYD
core.conformation.Conformation: current variant for 344 CYD
core.conformation.Conformation: Found disulfide between residues 362 415
core.conformation.Conformation: current variant for 362 CYS
core.conformation.Conformation: current variant for 415 CYS
core.conformation.Conformation: current variant for 362 CYD
core.conformation.Conformation: current variant for 415 CYD
core.conformation.Conformation: Found disulfide between residues 374 508
core.conformation.Conformation: current variant for 374 CYS
core.conformation.Conformation: current variant for 508 CYS
core.conformation.Conformation: current variant for 374 CYD
core.conformation.Conformation: current variant for 508 CYD
core.conformation.Conformation: Found disulfide between residues 463 471
core.conformation.Conformation: current variant for 463 CYS
core.conformation.Conformation: current variant for 471 CYS
core.conformation.Conformation: current variant for 463 CYD
core.conformation.Conformation: current variant for 471 CYD
core.conformation.Conformation: Found disulfide between residues 521 573
core.conformation.Conformation: current variant for 521 CYS
core.conformation.Conformation: current variant for 573 CYS
core.conformation.Conformation: current variant for 521 CYD
core.conformation.Conformation: current variant for 573 CYD
core.conformation.Conformation: Found disulfide between residues 600 632
core.conformation.Conformation: current variant for 600 CYS
core.conformation.Conformation: current variant for 632 CYS
core.conformation.Conformation: current variant for 600 CYD
core.conformation.Conformation: current variant for 632 CYD
core.conformation.Conformation: Found disulfide between residues 645 654
core.conformation.Conformation: current variant for 645 CYS
core.conformation.Conformation: current variant for 654 CYS
core.conformation.Conformation: current variant for 645 CYD
core.conformation.Conformation: current variant for 654 CYD
core.conformation.Conformation: Found disulfide between residues 721 743
core.conformation.Conformation: current variant for 721 CYS
core.conformation.Conformation: current variant for 743 CYS
core.conformation.Conformation: current variant for 721 CYD
core.conformation.Conformation: current variant for 743 CYD
core.conformation.Conformation: Found disulfide between residues 726 732
core.conformation.Conformation: current variant for 726 CYS
core.conformation.Conformation: current variant for 732 CYS
core.conformation.Conformation: current variant for 726 CYD
core.conformation.Conformation: current variant for 732 CYD
core.conformation.Conformation: Found disulfide between residues 823 834
core.conformation.Conformation: current variant for 823 CYS
core.conformation.Conformation: current variant for 834 CYS
core.conformation.Conformation: current variant for 823 CYD
core.conformation.Conformation: current variant for 834 CYD
core.conformation.Conformation: Found disulfide between residues 1015 1026
core.conformation.Conformation: current variant for 1015 CYS
core.conformation.Conformation: current variant for 1026 CYS
core.conformation.Conformation: current variant for 1015 CYD
core.conformation.Conformation: current variant for 1026 CYD
core.conformation.Conformation: Found disulfide between residues 1065 1109
core.conformation.Conformation: current variant for 1065 CYS
core.conformation.Conformation: current variant for 1109 CYS
core.conformation.Conformation: current variant for 1065 CYD
core.conformation.Conformation: current variant for 1109 CYD
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.7A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: celldim: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.7
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (1192)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (1192)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
26.5454 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.22 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 19460 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22537 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 59764444 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -14130.6 1.17966 1.17966 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20538 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 51751612 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -14095 1.69538 1.69538 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19813 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 48243208 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -14265.4 2.08364 2.08364 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19383 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 46124612 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -14253.4 2.41184 2.41184 0.55
protocols.relax.FastRelax: MRP: 0 -14253.4 -14253.4 2.41184 2.41184
protocols.relax.FastRelax: CMD: accept_to_best -14253.4 2.41184 2.41184 0.55
protocols.relax.FastRelax: CMD: endrepeat -14253.4 2.41184 2.41184 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22893 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 61345860 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -16803.1 2.79079 2.79079 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19947 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 50320448 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -15725.7 2.90003 2.90003 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19859 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 48835992 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -15447.1 3.10447 3.10447 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19456 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 46130980 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -15156.2 3.30264 3.30264 0.55
protocols.relax.FastRelax: MRP: 1 -15156.2 -15156.2 3.30264 3.30264
protocols.relax.FastRelax: CMD: accept_to_best -15156.2 3.30264 3.30264 0.55
protocols.relax.FastRelax: CMD: endrepeat -15156.2 3.30264 3.30264 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 1954 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 1955 seconds
chain_B
align structure to input map
rank_003_alphafold2_ptm_model_1_seed_000_af2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.7 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=1793840425 seed_offset=0 real_seed=1793840425
core.init.random: RandomGenerator:init: Normal mode, seed=1793840425 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.04 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
core.conformation.Conformation: Found disulfide between residues 1 120
core.conformation.Conformation: current variant for 1 CYS
core.conformation.Conformation: current variant for 120 CYS
core.conformation.Conformation: current variant for 1 CYD
core.conformation.Conformation: current variant for 120 CYD
core.conformation.Conformation: Found disulfide between residues 115 149
core.conformation.Conformation: current variant for 115 CYS
core.conformation.Conformation: current variant for 149 CYS
core.conformation.Conformation: current variant for 115 CYD
core.conformation.Conformation: current variant for 149 CYD
core.conformation.Conformation: Found disulfide between residues 274 284
core.conformation.Conformation: current variant for 274 CYS
core.conformation.Conformation: current variant for 284 CYS
core.conformation.Conformation: current variant for 274 CYD
core.conformation.Conformation: current variant for 284 CYD
core.conformation.Conformation: Found disulfide between residues 319 344
core.conformation.Conformation: current variant for 319 CYS
core.conformation.Conformation: current variant for 344 CYS
core.conformation.Conformation: current variant for 319 CYD
core.conformation.Conformation: current variant for 344 CYD
core.conformation.Conformation: Found disulfide between residues 362 415
core.conformation.Conformation: current variant for 362 CYS
core.conformation.Conformation: current variant for 415 CYS
core.conformation.Conformation: current variant for 362 CYD
core.conformation.Conformation: current variant for 415 CYD
core.conformation.Conformation: Found disulfide between residues 374 508
core.conformation.Conformation: current variant for 374 CYS
core.conformation.Conformation: current variant for 508 CYS
core.conformation.Conformation: current variant for 374 CYD
core.conformation.Conformation: current variant for 508 CYD
core.conformation.Conformation: Found disulfide between residues 463 471
core.conformation.Conformation: current variant for 463 CYS
core.conformation.Conformation: current variant for 471 CYS
core.conformation.Conformation: current variant for 463 CYD
core.conformation.Conformation: current variant for 471 CYD
core.conformation.Conformation: Found disulfide between residues 521 573
core.conformation.Conformation: current variant for 521 CYS
core.conformation.Conformation: current variant for 573 CYS
core.conformation.Conformation: current variant for 521 CYD
core.conformation.Conformation: current variant for 573 CYD
core.conformation.Conformation: Found disulfide between residues 600 632
core.conformation.Conformation: current variant for 600 CYS
core.conformation.Conformation: current variant for 632 CYS
core.conformation.Conformation: current variant for 600 CYD
core.conformation.Conformation: current variant for 632 CYD
core.conformation.Conformation: Found disulfide between residues 645 654
core.conformation.Conformation: current variant for 645 CYS
core.conformation.Conformation: current variant for 654 CYS
core.conformation.Conformation: current variant for 645 CYD
core.conformation.Conformation: current variant for 654 CYD
core.conformation.Conformation: Found disulfide between residues 721 743
core.conformation.Conformation: current variant for 721 CYS
core.conformation.Conformation: current variant for 743 CYS
core.conformation.Conformation: current variant for 721 CYD
core.conformation.Conformation: current variant for 743 CYD
core.conformation.Conformation: Found disulfide between residues 726 732
core.conformation.Conformation: current variant for 726 CYS
core.conformation.Conformation: current variant for 732 CYS
core.conformation.Conformation: current variant for 726 CYD
core.conformation.Conformation: current variant for 732 CYD
core.conformation.Conformation: Found disulfide between residues 823 834
core.conformation.Conformation: current variant for 823 CYS
core.conformation.Conformation: current variant for 834 CYS
core.conformation.Conformation: current variant for 823 CYD
core.conformation.Conformation: current variant for 834 CYD
core.conformation.Conformation: Found disulfide between residues 1015 1026
core.conformation.Conformation: current variant for 1015 CYS
core.conformation.Conformation: current variant for 1026 CYS
core.conformation.Conformation: current variant for 1015 CYD
core.conformation.Conformation: current variant for 1026 CYD
core.conformation.Conformation: Found disulfide between residues 1065 1109
core.conformation.Conformation: current variant for 1065 CYS
core.conformation.Conformation: current variant for 1109 CYS
core.conformation.Conformation: current variant for 1065 CYD
core.conformation.Conformation: current variant for 1109 CYD
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.7A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: celldim: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.7
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (1192)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (1192)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
26.5454 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.22 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 16124.3 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22062 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 58418180 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -14124 1.16915 1.16915 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20596 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 51417464 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -14175.8 1.6566 1.6566 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19971 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 48024644 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -14372.4 1.99494 1.99494 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19551 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 46123964 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -14328.5 2.37705 2.37705 0.55
protocols.relax.FastRelax: MRP: 0 -14328.5 -14328.5 2.37705 2.37705
protocols.relax.FastRelax: CMD: accept_to_best -14328.5 2.37705 2.37705 0.55
protocols.relax.FastRelax: CMD: endrepeat -14328.5 2.37705 2.37705 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22869 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 61003440 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -16830.1 2.72721 2.72721 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20046 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 49949244 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -15844.7 2.82214 2.82214 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19792 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 48079812 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -15511.2 2.97009 2.97009 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19168 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 45059564 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -15225.8 3.09457 3.09457 0.55
protocols.relax.FastRelax: MRP: 1 -15225.8 -15225.8 3.09457 3.09457
protocols.relax.FastRelax: CMD: accept_to_best -15225.8 3.09457 3.09457 0.55
protocols.relax.FastRelax: CMD: endrepeat -15225.8 3.09457 3.09457 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 1906 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 1907 seconds
chain_B
align structure to input map
rank_004_alphafold2_ptm_model_3_seed_000_af2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.7 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=-42913024 seed_offset=0 real_seed=-42913024
core.init.random: RandomGenerator:init: Normal mode, seed=-42913024 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.2 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
core.conformation.Conformation: Found disulfide between residues 1 120
core.conformation.Conformation: current variant for 1 CYS
core.conformation.Conformation: current variant for 120 CYS
core.conformation.Conformation: current variant for 1 CYD
core.conformation.Conformation: current variant for 120 CYD
core.conformation.Conformation: Found disulfide between residues 115 149
core.conformation.Conformation: current variant for 115 CYS
core.conformation.Conformation: current variant for 149 CYS
core.conformation.Conformation: current variant for 115 CYD
core.conformation.Conformation: current variant for 149 CYD
core.conformation.Conformation: Found disulfide between residues 274 284
core.conformation.Conformation: current variant for 274 CYS
core.conformation.Conformation: current variant for 284 CYS
core.conformation.Conformation: current variant for 274 CYD
core.conformation.Conformation: current variant for 284 CYD
core.conformation.Conformation: Found disulfide between residues 319 344
core.conformation.Conformation: current variant for 319 CYS
core.conformation.Conformation: current variant for 344 CYS
core.conformation.Conformation: current variant for 319 CYD
core.conformation.Conformation: current variant for 344 CYD
core.conformation.Conformation: Found disulfide between residues 362 415
core.conformation.Conformation: current variant for 362 CYS
core.conformation.Conformation: current variant for 415 CYS
core.conformation.Conformation: current variant for 362 CYD
core.conformation.Conformation: current variant for 415 CYD
core.conformation.Conformation: Found disulfide between residues 374 508
core.conformation.Conformation: current variant for 374 CYS
core.conformation.Conformation: current variant for 508 CYS
core.conformation.Conformation: current variant for 374 CYD
core.conformation.Conformation: current variant for 508 CYD
core.conformation.Conformation: Found disulfide between residues 463 471
core.conformation.Conformation: current variant for 463 CYS
core.conformation.Conformation: current variant for 471 CYS
core.conformation.Conformation: current variant for 463 CYD
core.conformation.Conformation: current variant for 471 CYD
core.conformation.Conformation: Found disulfide between residues 521 573
core.conformation.Conformation: current variant for 521 CYS
core.conformation.Conformation: current variant for 573 CYS
core.conformation.Conformation: current variant for 521 CYD
core.conformation.Conformation: current variant for 573 CYD
core.conformation.Conformation: Found disulfide between residues 600 632
core.conformation.Conformation: current variant for 600 CYS
core.conformation.Conformation: current variant for 632 CYS
core.conformation.Conformation: current variant for 600 CYD
core.conformation.Conformation: current variant for 632 CYD
core.conformation.Conformation: Found disulfide between residues 645 654
core.conformation.Conformation: current variant for 645 CYS
core.conformation.Conformation: current variant for 654 CYS
core.conformation.Conformation: current variant for 645 CYD
core.conformation.Conformation: current variant for 654 CYD
core.conformation.Conformation: Found disulfide between residues 721 743
core.conformation.Conformation: current variant for 721 CYS
core.conformation.Conformation: current variant for 743 CYS
core.conformation.Conformation: current variant for 721 CYD
core.conformation.Conformation: current variant for 743 CYD
core.conformation.Conformation: Found disulfide between residues 726 732
core.conformation.Conformation: current variant for 726 CYS
core.conformation.Conformation: current variant for 732 CYS
core.conformation.Conformation: current variant for 726 CYD
core.conformation.Conformation: current variant for 732 CYD
core.conformation.Conformation: Found disulfide between residues 1015 1026
core.conformation.Conformation: current variant for 1015 CYS
core.conformation.Conformation: current variant for 1026 CYS
core.conformation.Conformation: current variant for 1015 CYD
core.conformation.Conformation: current variant for 1026 CYD
core.conformation.Conformation: Found disulfide between residues 1065 1109
core.conformation.Conformation: current variant for 1065 CYS
core.conformation.Conformation: current variant for 1109 CYS
core.conformation.Conformation: current variant for 1065 CYD
core.conformation.Conformation: current variant for 1109 CYD
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.7A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: celldim: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.7
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (1192)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (1192)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
26.5454 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.25 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 22360.1 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22809 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 61385072 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -13569.6 1.18765 1.18765 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20677 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 52345312 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -13291.3 1.60476 1.60476 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20016 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 48862748 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -13570.7 2.13287 2.13287 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19544 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 46039852 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -13728.9 2.52127 2.52127 0.55
protocols.relax.FastRelax: MRP: 0 -13728.9 -13728.9 2.52127 2.52127
protocols.relax.FastRelax: CMD: accept_to_best -13728.9 2.52127 2.52127 0.55
protocols.relax.FastRelax: CMD: endrepeat -13728.9 2.52127 2.52127 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22988 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 61452732 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -16291.5 2.8791 2.8791 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20152 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 50248396 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -15260.7 2.98994 2.98994 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19732 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 47286784 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -14975.4 3.15091 3.15091 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19380 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 45490856 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -14715.8 3.3358 3.3358 0.55
protocols.relax.FastRelax: MRP: 1 -14715.8 -14715.8 3.3358 3.3358
protocols.relax.FastRelax: CMD: accept_to_best -14715.8 3.3358 3.3358 0.55
protocols.relax.FastRelax: CMD: endrepeat -14715.8 3.3358 3.3358 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 1992 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 1993 seconds
chain_B
align structure to input map
rank_005_alphafold2_ptm_model_5_seed_000_af2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.7 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=-464665236 seed_offset=0 real_seed=-464665236
core.init.random: RandomGenerator:init: Normal mode, seed=-464665236 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.16 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
core.conformation.Conformation: Found disulfide between residues 1 120
core.conformation.Conformation: current variant for 1 CYS
core.conformation.Conformation: current variant for 120 CYS
core.conformation.Conformation: current variant for 1 CYD
core.conformation.Conformation: current variant for 120 CYD
core.conformation.Conformation: Found disulfide between residues 115 149
core.conformation.Conformation: current variant for 115 CYS
core.conformation.Conformation: current variant for 149 CYS
core.conformation.Conformation: current variant for 115 CYD
core.conformation.Conformation: current variant for 149 CYD
core.conformation.Conformation: Found disulfide between residues 274 284
core.conformation.Conformation: current variant for 274 CYS
core.conformation.Conformation: current variant for 284 CYS
core.conformation.Conformation: current variant for 274 CYD
core.conformation.Conformation: current variant for 284 CYD
core.conformation.Conformation: Found disulfide between residues 319 344
core.conformation.Conformation: current variant for 319 CYS
core.conformation.Conformation: current variant for 344 CYS
core.conformation.Conformation: current variant for 319 CYD
core.conformation.Conformation: current variant for 344 CYD
core.conformation.Conformation: Found disulfide between residues 362 415
core.conformation.Conformation: current variant for 362 CYS
core.conformation.Conformation: current variant for 415 CYS
core.conformation.Conformation: current variant for 362 CYD
core.conformation.Conformation: current variant for 415 CYD
core.conformation.Conformation: Found disulfide between residues 374 508
core.conformation.Conformation: current variant for 374 CYS
core.conformation.Conformation: current variant for 508 CYS
core.conformation.Conformation: current variant for 374 CYD
core.conformation.Conformation: current variant for 508 CYD
core.conformation.Conformation: Found disulfide between residues 463 471
core.conformation.Conformation: current variant for 463 CYS
core.conformation.Conformation: current variant for 471 CYS
core.conformation.Conformation: current variant for 463 CYD
core.conformation.Conformation: current variant for 471 CYD
core.conformation.Conformation: Found disulfide between residues 521 573
core.conformation.Conformation: current variant for 521 CYS
core.conformation.Conformation: current variant for 573 CYS
core.conformation.Conformation: current variant for 521 CYD
core.conformation.Conformation: current variant for 573 CYD
core.conformation.Conformation: Found disulfide between residues 600 632
core.conformation.Conformation: current variant for 600 CYS
core.conformation.Conformation: current variant for 632 CYS
core.conformation.Conformation: current variant for 600 CYD
core.conformation.Conformation: current variant for 632 CYD
core.conformation.Conformation: Found disulfide between residues 645 654
core.conformation.Conformation: current variant for 645 CYS
core.conformation.Conformation: current variant for 654 CYS
core.conformation.Conformation: current variant for 645 CYD
core.conformation.Conformation: current variant for 654 CYD
core.conformation.Conformation: Found disulfide between residues 721 743
core.conformation.Conformation: current variant for 721 CYS
core.conformation.Conformation: current variant for 743 CYS
core.conformation.Conformation: current variant for 721 CYD
core.conformation.Conformation: current variant for 743 CYD
core.conformation.Conformation: Found disulfide between residues 726 732
core.conformation.Conformation: current variant for 726 CYS
core.conformation.Conformation: current variant for 732 CYS
core.conformation.Conformation: current variant for 726 CYD
core.conformation.Conformation: current variant for 732 CYD
core.conformation.Conformation: Found disulfide between residues 823 834
core.conformation.Conformation: current variant for 823 CYS
core.conformation.Conformation: current variant for 834 CYS
core.conformation.Conformation: current variant for 823 CYD
core.conformation.Conformation: current variant for 834 CYD
core.conformation.Conformation: Found disulfide between residues 1015 1026
core.conformation.Conformation: current variant for 1015 CYS
core.conformation.Conformation: current variant for 1026 CYS
core.conformation.Conformation: current variant for 1015 CYD
core.conformation.Conformation: current variant for 1026 CYD
core.conformation.Conformation: Found disulfide between residues 1065 1109
core.conformation.Conformation: current variant for 1065 CYS
core.conformation.Conformation: current variant for 1109 CYS
core.conformation.Conformation: current variant for 1065 CYD
core.conformation.Conformation: current variant for 1109 CYD
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.7A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: celldim: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.7
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (1192)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (1192)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
26.5454 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.22 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 12879.3 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22865 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 62631388 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -15215.5 1.16525 1.16525 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20663 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 53152504 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -15068.1 1.69165 1.69165 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20016 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 50003972 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -15354.4 2.21637 2.21637 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19756 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 48163080 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -15372 2.48051 2.48051 0.55
protocols.relax.FastRelax: MRP: 0 -15372 -15372 2.48051 2.48051
protocols.relax.FastRelax: CMD: accept_to_best -15372 2.48051 2.48051 0.55
protocols.relax.FastRelax: CMD: endrepeat -15372 2.48051 2.48051 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22981 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 62691636 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -17644.6 2.78507 2.78507 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20238 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 52242244 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -16785.8 2.88082 2.88082 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19855 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 49748828 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -16505.9 3.01209 3.01209 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19334 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 47094228 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 374 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 463 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 471 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 508 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 823 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 834 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -16232.3 3.12769 3.12769 0.55
protocols.relax.FastRelax: MRP: 1 -16232.3 -16232.3 3.12769 3.12769
protocols.relax.FastRelax: CMD: accept_to_best -16232.3 3.12769 3.12769 0.55
protocols.relax.FastRelax: CMD: endrepeat -16232.3 3.12769 3.12769 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 1935 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 1936 seconds
Align structures finished.
====================================================================Modeling finished====================================================================
Selected strategy mode: Vanilla AF2
Input query sequence: CVNLTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHAISGTNGTKRFDNPVLPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLGVYHKNNKSWMESEFRVYSSANNCTFEYVSQPFLMDLEGKQGNFKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQTLLALHRSYLTPGDSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLTGTGVLTESNKKFLPFQQFGRDIDDTTDAVRDPQTLEILDITPCSFGGVSVITPGTNTSNQVAVLYQGVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEHVNNSYECDIPIGAGICASYQTQTNSHGSASSVASQSIIAYTMSLGAENSVAYSNNSIAIPINFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQEVFAQVKQIYKTPPIKDFGGFNFSQILPDPSKPSKRSFIEDLLFNKVTLADAGFIKQYGDCLGDIAARDLICAQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGAALQIPFAMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTASALGKLQDVVNQNAQALNTLVKQLSSNFGAISSVLNDILARLDPPEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPAICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTHNTFVSGNCDVVIGIVNNTVYDPLQPELDSFKEELDKYFKNHTSPDVDLGDISGINASVVNIQKEIDRLNEVAKNLNESLIDLQELGKYEQ
Job ID: 5a4e3034f8981212b955983c7f8c5177_9c9d5
Number of models to use: 0
Template mode: none
DAQ
====================================================================Modeling finished====================================================================
STEP-3: Running strategy 2
(prefix: 'str', result_dir: 'Path', feature_dict: 'Dict[str, Any]', is_complex: 'bool', use_templates: 'bool', sequences_lengths: 'List[int]', pad_len: 'int', model_type: 'str', model_runner_and_params: 'List[Tuple[str, model.RunModel, haiku.Params]]', num_relax: 'int' = 0, rank_by: 'str' = 'auto', random_seed: 'int' = 0, num_seeds: 'int' = 1, stop_at_score: 'float' = 100, prediction_callback: 'Callable[[Any, Any, Any, Any, Any], Any]' = None, use_gpu_relax: 'bool' = False, save_all: 'bool' = False, save_single_representations: 'bool' = False, save_pair_representations: 'bool' = False, save_recycles: 'bool' = False)
INFO: Input Protein Sequence and DAQ result file started
chain_B
Prepare trimmed template finished.
MSA finished.(if applicable)
INFO: Input Protein Sequence and DAQ result file Done
INFO: Modeling Part started
chain_B
trimmed_msa.a3m to 5a4e3034f8981212b955983c7f8c5177_2b988.custom.a3m
The size of '5a4e3034f8981212b955983c7f8c5177_2b988.custom.a3m' is 430322 bytes.
MSA settings finished.
Advanced settings finished.
DAQ-Refine
Install dependencies finished.
GPU is not available.
chain_B
start running download_alphafold
2025-09-18 16:52:12,729 Running on GPU
2025-09-18 16:52:12,748 Found 4 citations for tools or databases
1tmp.cif.bak.
1: 5a4e3034f8981212b955983c7f8c5177_2b988.custom (length 1191)
2025-09-18 16:52:16,345 Sequence 0 found templates: ['1tmp_B', '1tmp_B', '1tmp_B']
2025-09-18 16:52:17,155 Setting max_seq=334, max_extra_seq=1
2025-09-18 16:55:12,017 alphafold2_ptm_model_1_seed_000 recycle=0 pLDDT=86.1 pTM=0.801
2025-09-18 16:57:30,271 alphafold2_ptm_model_1_seed_000 recycle=1 pLDDT=86.3 pTM=0.787 tol=1.52
2025-09-18 16:57:30,274 alphafold2_ptm_model_1_seed_000 took 306.9s (1 recycles)
2025-09-18 16:59:50,842 alphafold2_ptm_model_2_seed_000 recycle=0 pLDDT=86.7 pTM=0.839
2025-09-18 17:02:09,792 alphafold2_ptm_model_2_seed_000 recycle=1 pLDDT=86.8 pTM=0.828 tol=0.933
2025-09-18 17:02:09,796 alphafold2_ptm_model_2_seed_000 took 277.6s (1 recycles)
2025-09-18 17:04:31,826 alphafold2_ptm_model_3_seed_000 recycle=0 pLDDT=36.5 pTM=0.308
2025-09-18 17:06:35,390 alphafold2_ptm_model_3_seed_000 recycle=1 pLDDT=39.2 pTM=0.353 tol=14.3
2025-09-18 17:06:35,394 alphafold2_ptm_model_3_seed_000 took 263.7s (1 recycles)
2025-09-18 17:08:41,168 alphafold2_ptm_model_4_seed_000 recycle=0 pLDDT=38.6 pTM=0.32
2025-09-18 17:10:44,948 alphafold2_ptm_model_4_seed_000 recycle=1 pLDDT=41.6 pTM=0.346 tol=15.3
2025-09-18 17:10:44,953 alphafold2_ptm_model_4_seed_000 took 247.5s (1 recycles)
2025-09-18 17:12:50,799 alphafold2_ptm_model_5_seed_000 recycle=0 pLDDT=37.8 pTM=0.331
2025-09-18 17:14:54,676 alphafold2_ptm_model_5_seed_000 recycle=1 pLDDT=38.6 pTM=0.378 tol=17.1
2025-09-18 17:14:54,680 alphafold2_ptm_model_5_seed_000 took 247.7s (1 recycles)
2025-09-18 17:14:56,731 reranking models by 'plddt' metric
2025-09-18 17:14:56,732 rank_001_alphafold2_ptm_model_2_seed_000 pLDDT=86.8 pTM=0.828
2025-09-18 17:14:56,745 rank_002_alphafold2_ptm_model_1_seed_000 pLDDT=86.3 pTM=0.787
2025-09-18 17:14:56,754 rank_003_alphafold2_ptm_model_4_seed_000 pLDDT=41.6 pTM=0.346
2025-09-18 17:14:56,763 rank_004_alphafold2_ptm_model_3_seed_000 pLDDT=39.2 pTM=0.353
2025-09-18 17:14:56,770 rank_005_alphafold2_ptm_model_5_seed_000 pLDDT=38.6 pTM=0.378
2025-09-18 17:15:02,230 Done
Prediction finished.
INFO: Modeling Part Done
chain_B
chain_B
align structure to input map
rank_001_alphafold2_ptm_model_2_seed_000_s2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.7 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=1585463451 seed_offset=0 real_seed=1585463451
core.init.random: RandomGenerator:init: Normal mode, seed=1585463451 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.08 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
core.conformation.Conformation: Found disulfide between residues 1 120
core.conformation.Conformation: current variant for 1 CYS
core.conformation.Conformation: current variant for 120 CYS
core.conformation.Conformation: current variant for 1 CYD
core.conformation.Conformation: current variant for 120 CYD
core.conformation.Conformation: Found disulfide between residues 115 149
core.conformation.Conformation: current variant for 115 CYS
core.conformation.Conformation: current variant for 149 CYS
core.conformation.Conformation: current variant for 115 CYD
core.conformation.Conformation: current variant for 149 CYD
core.conformation.Conformation: Found disulfide between residues 274 284
core.conformation.Conformation: current variant for 274 CYS
core.conformation.Conformation: current variant for 284 CYS
core.conformation.Conformation: current variant for 274 CYD
core.conformation.Conformation: current variant for 284 CYD
core.conformation.Conformation: Found disulfide between residues 319 344
core.conformation.Conformation: current variant for 319 CYS
core.conformation.Conformation: current variant for 344 CYS
core.conformation.Conformation: current variant for 319 CYD
core.conformation.Conformation: current variant for 344 CYD
core.conformation.Conformation: Found disulfide between residues 362 415
core.conformation.Conformation: current variant for 362 CYS
core.conformation.Conformation: current variant for 415 CYS
core.conformation.Conformation: current variant for 362 CYD
core.conformation.Conformation: current variant for 415 CYD
core.conformation.Conformation: Found disulfide between residues 521 573
core.conformation.Conformation: current variant for 521 CYS
core.conformation.Conformation: current variant for 573 CYS
core.conformation.Conformation: current variant for 521 CYD
core.conformation.Conformation: current variant for 573 CYD
core.conformation.Conformation: Found disulfide between residues 600 632
core.conformation.Conformation: current variant for 600 CYS
core.conformation.Conformation: current variant for 632 CYS
core.conformation.Conformation: current variant for 600 CYD
core.conformation.Conformation: current variant for 632 CYD
core.conformation.Conformation: Found disulfide between residues 645 654
core.conformation.Conformation: current variant for 645 CYS
core.conformation.Conformation: current variant for 654 CYS
core.conformation.Conformation: current variant for 645 CYD
core.conformation.Conformation: current variant for 654 CYD
core.conformation.Conformation: Found disulfide between residues 721 743
core.conformation.Conformation: current variant for 721 CYS
core.conformation.Conformation: current variant for 743 CYS
core.conformation.Conformation: current variant for 721 CYD
core.conformation.Conformation: current variant for 743 CYD
core.conformation.Conformation: Found disulfide between residues 726 732
core.conformation.Conformation: current variant for 726 CYS
core.conformation.Conformation: current variant for 732 CYS
core.conformation.Conformation: current variant for 726 CYD
core.conformation.Conformation: current variant for 732 CYD
core.conformation.Conformation: Found disulfide between residues 1015 1026
core.conformation.Conformation: current variant for 1015 CYS
core.conformation.Conformation: current variant for 1026 CYS
core.conformation.Conformation: current variant for 1015 CYD
core.conformation.Conformation: current variant for 1026 CYD
core.conformation.Conformation: Found disulfide between residues 1065 1109
core.conformation.Conformation: current variant for 1065 CYS
core.conformation.Conformation: current variant for 1109 CYS
core.conformation.Conformation: current variant for 1065 CYD
core.conformation.Conformation: current variant for 1109 CYD
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.7A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: celldim: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.7
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (1192)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (1192)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
26.5454 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.23 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat -3547.21 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22859 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 59761548 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20797.1 0.870085 0.870085 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 21175 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 52154428 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20610.3 1.02142 1.02142 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20427 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 48613344 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20464.5 1.17116 1.17116 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19897 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 46278824 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20295 1.31183 1.31183 0.55
protocols.relax.FastRelax: MRP: 0 -20295 -20295 1.31183 1.31183
protocols.relax.FastRelax: CMD: accept_to_best -20295 1.31183 1.31183 0.55
protocols.relax.FastRelax: CMD: endrepeat -20295 1.31183 1.31183 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 23253 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 61231956 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -21676.3 1.5033 1.5033 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20881 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 51821704 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -21092.7 1.5564 1.5564 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20419 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 49149656 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20869.7 1.62801 1.62801 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19846 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 46558920 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 120 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 721 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 743 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20607.6 1.66906 1.66906 0.55
protocols.relax.FastRelax: MRP: 1 -20607.6 -20607.6 1.66906 1.66906
protocols.relax.FastRelax: CMD: accept_to_best -20607.6 1.66906 1.66906 0.55
protocols.relax.FastRelax: CMD: endrepeat -20607.6 1.66906 1.66906 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 1906 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 1906 seconds
chain_B
align structure to input map
rank_002_alphafold2_ptm_model_1_seed_000_s2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.7 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=-1454883728 seed_offset=0 real_seed=-1454883728
core.init.random: RandomGenerator:init: Normal mode, seed=-1454883728 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.07 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
core.conformation.Conformation: Found disulfide between residues 115 149
core.conformation.Conformation: current variant for 115 CYS
core.conformation.Conformation: current variant for 149 CYS
core.conformation.Conformation: current variant for 115 CYD
core.conformation.Conformation: current variant for 149 CYD
core.conformation.Conformation: Found disulfide between residues 274 284
core.conformation.Conformation: current variant for 274 CYS
core.conformation.Conformation: current variant for 284 CYS
core.conformation.Conformation: current variant for 274 CYD
core.conformation.Conformation: current variant for 284 CYD
core.conformation.Conformation: Found disulfide between residues 319 344
core.conformation.Conformation: current variant for 319 CYS
core.conformation.Conformation: current variant for 344 CYS
core.conformation.Conformation: current variant for 319 CYD
core.conformation.Conformation: current variant for 344 CYD
core.conformation.Conformation: Found disulfide between residues 362 415
core.conformation.Conformation: current variant for 362 CYS
core.conformation.Conformation: current variant for 415 CYS
core.conformation.Conformation: current variant for 362 CYD
core.conformation.Conformation: current variant for 415 CYD
core.conformation.Conformation: Found disulfide between residues 521 573
core.conformation.Conformation: current variant for 521 CYS
core.conformation.Conformation: current variant for 573 CYS
core.conformation.Conformation: current variant for 521 CYD
core.conformation.Conformation: current variant for 573 CYD
core.conformation.Conformation: Found disulfide between residues 600 632
core.conformation.Conformation: current variant for 600 CYS
core.conformation.Conformation: current variant for 632 CYS
core.conformation.Conformation: current variant for 600 CYD
core.conformation.Conformation: current variant for 632 CYD
core.conformation.Conformation: Found disulfide between residues 645 654
core.conformation.Conformation: current variant for 645 CYS
core.conformation.Conformation: current variant for 654 CYS
core.conformation.Conformation: current variant for 645 CYD
core.conformation.Conformation: current variant for 654 CYD
core.conformation.Conformation: Found disulfide between residues 726 732
core.conformation.Conformation: current variant for 726 CYS
core.conformation.Conformation: current variant for 732 CYS
core.conformation.Conformation: current variant for 726 CYD
core.conformation.Conformation: current variant for 732 CYD
core.conformation.Conformation: Found disulfide between residues 1015 1026
core.conformation.Conformation: current variant for 1015 CYS
core.conformation.Conformation: current variant for 1026 CYS
core.conformation.Conformation: current variant for 1015 CYD
core.conformation.Conformation: current variant for 1026 CYD
core.conformation.Conformation: Found disulfide between residues 1065 1109
core.conformation.Conformation: current variant for 1065 CYS
core.conformation.Conformation: current variant for 1109 CYS
core.conformation.Conformation: current variant for 1065 CYD
core.conformation.Conformation: current variant for 1109 CYD
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.7A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: celldim: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.7
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (1192)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (1192)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
26.5454 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.22 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat -1441.99 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22709 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 59641988 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20869.1 0.952191 0.952191 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 21041 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 51843388 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20748.5 1.13616 1.13616 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20289 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 48210852 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20612.2 1.2665 1.2665 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19722 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 45700556 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20372.4 1.38044 1.38044 0.55
protocols.relax.FastRelax: MRP: 0 -20372.4 -20372.4 1.38044 1.38044
protocols.relax.FastRelax: CMD: accept_to_best -20372.4 1.38044 1.38044 0.55
protocols.relax.FastRelax: CMD: endrepeat -20372.4 1.38044 1.38044 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 22981 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 59964052 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -21743.8 1.54672 1.54672 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20822 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 51521548 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -21108.1 1.56828 1.56828 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20363 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 48786876 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20840.1 1.61559 1.61559 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19883 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 46349728 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 115 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 149 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 274 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 284 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 319 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 344 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 362 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 415 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 521 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 573 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 645 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 654 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 726 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 732 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1015 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1026 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -20558 1.65094 1.65094 0.55
protocols.relax.FastRelax: MRP: 1 -20558 -20558 1.65094 1.65094
protocols.relax.FastRelax: CMD: accept_to_best -20558 1.65094 1.65094 0.55
protocols.relax.FastRelax: CMD: endrepeat -20558 1.65094 1.65094 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 1899 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 1899 seconds
chain_B
align structure to input map
rank_003_alphafold2_ptm_model_4_seed_000_s2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.7 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=-1978696715 seed_offset=0 real_seed=-1978696715
core.init.random: RandomGenerator:init: Normal mode, seed=-1978696715 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.12 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
core.conformation.Conformation: Found disulfide between residues 1065 1109
core.conformation.Conformation: current variant for 1065 CYS
core.conformation.Conformation: current variant for 1109 CYS
core.conformation.Conformation: current variant for 1065 CYD
core.conformation.Conformation: current variant for 1109 CYD
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.7A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: celldim: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.7
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (1192)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (1192)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
26.5454 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.22 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 49559.2 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19690 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 19265648 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 1439.24 0.95074 0.95074 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20070 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 19586208 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -585.262 1.5889 1.5889 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19549 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 19067724 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -1489.83 2.08049 2.08049 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19068 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18424892 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -1945.49 2.45669 2.45669 0.55
protocols.relax.FastRelax: MRP: 0 -1945.49 -1945.49 2.45669 2.45669
protocols.relax.FastRelax: CMD: accept_to_best -1945.49 2.45669 2.45669 0.55
protocols.relax.FastRelax: CMD: endrepeat -1945.49 2.45669 2.45669 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20927 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 21598172 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -3321.25 2.68969 2.68969 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19599 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 19458116 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -2960.51 2.83078 2.83078 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19479 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 19466372 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -2939.23 3.04872 3.04872 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19126 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18756316 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -2892.61 3.2396 3.2396 0.55
protocols.relax.FastRelax: MRP: 1 -2892.61 -2892.61 3.2396 3.2396
protocols.relax.FastRelax: CMD: accept_to_best -2892.61 3.2396 3.2396 0.55
protocols.relax.FastRelax: CMD: endrepeat -2892.61 3.2396 3.2396 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 1520 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 1520 seconds
chain_B
align structure to input map
rank_004_alphafold2_ptm_model_3_seed_000_s2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.7 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=-967658970 seed_offset=0 real_seed=-967658970
core.init.random: RandomGenerator:init: Normal mode, seed=-967658970 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.07 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
core.conformation.Conformation: Found disulfide between residues 600 632
core.conformation.Conformation: current variant for 600 CYS
core.conformation.Conformation: current variant for 632 CYS
core.conformation.Conformation: current variant for 600 CYD
core.conformation.Conformation: current variant for 632 CYD
core.conformation.Conformation: Found disulfide between residues 1065 1109
core.conformation.Conformation: current variant for 1065 CYS
core.conformation.Conformation: current variant for 1109 CYS
core.conformation.Conformation: current variant for 1065 CYD
core.conformation.Conformation: current variant for 1109 CYD
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.7A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: celldim: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.7
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (1192)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (1192)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
26.5454 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.22 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 67250.8 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 18999 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 19567820 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 6028.48 0.906011 0.906011 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 18945 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18686992 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 3608.2 1.23116 1.23116 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 18519 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18335888 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 2961.7 1.52538 1.52538 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 18166 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18023476 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 2712.52 1.83009 1.83009 0.55
protocols.relax.FastRelax: MRP: 0 2712.52 2712.52 1.83009 1.83009
protocols.relax.FastRelax: CMD: accept_to_best 2712.52 1.83009 1.83009 0.55
protocols.relax.FastRelax: CMD: endrepeat 2712.52 1.83009 1.83009 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20026 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 20941716 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 1221.81 2.02226 2.02226 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 18621 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18965472 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 1597.14 2.15583 2.15583 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 18318 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18490328 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 1602.23 2.38961 2.38961 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 18008 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18175852 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 1661.51 2.63555 2.63555 0.55
protocols.relax.FastRelax: MRP: 1 1661.51 1661.51 2.63555 2.63555
protocols.relax.FastRelax: CMD: accept_to_best 1661.51 2.63555 2.63555 0.55
protocols.relax.FastRelax: CMD: endrepeat 1661.51 2.63555 2.63555 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 1482 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 1483 seconds
chain_B
align structure to input map
rank_005_alphafold2_ptm_model_5_seed_000_s2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.7 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=-1752126703 seed_offset=0 real_seed=-1752126703
core.init.random: RandomGenerator:init: Normal mode, seed=-1752126703 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.25 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
core.conformation.Conformation: Found disulfide between residues 600 632
core.conformation.Conformation: current variant for 600 CYS
core.conformation.Conformation: current variant for 632 CYS
core.conformation.Conformation: current variant for 600 CYD
core.conformation.Conformation: current variant for 632 CYD
core.conformation.Conformation: Found disulfide between residues 1065 1109
core.conformation.Conformation: current variant for 1065 CYS
core.conformation.Conformation: current variant for 1109 CYS
core.conformation.Conformation: current variant for 1065 CYD
core.conformation.Conformation: current variant for 1109 CYD
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.7A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: celldim: 489 x 489 x 489
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.7
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (1192)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (1192)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
26.5454 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.22 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 52141.4 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19724 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18380824 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 3954.82 0.825181 0.825181 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20030 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18392092 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 2060.46 1.21351 1.21351 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19665 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 17755912 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 1463.42 1.56652 1.56652 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19468 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 17504024 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 1095.09 1.93192 1.93192 0.55
protocols.relax.FastRelax: MRP: 0 1095.09 1095.09 1.93192 1.93192
protocols.relax.FastRelax: CMD: accept_to_best 1095.09 1.93192 1.93192 0.55
protocols.relax.FastRelax: CMD: endrepeat 1095.09 1.93192 1.93192 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 20874 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 19678948 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -337.49 2.16944 2.16944 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19852 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18115560 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -26.8962 2.34838 2.34838 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19546 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 17784140 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -39.2291 2.5867 2.5867 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 19448 rotamers at 1192 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 17668184 bytes
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 600 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 632 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1065 BRANCH 1
core.pose.util: [ WARNING ] Unable to find atom_tree atom for this Rosetta branch connection angle: residue 1109 BRANCH 1
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -39.4514 2.79255 2.79255 0.55
protocols.relax.FastRelax: MRP: 1 -39.4514 -39.4514 2.79255 2.79255
protocols.relax.FastRelax: CMD: accept_to_best -39.4514 2.79255 2.79255 0.55
protocols.relax.FastRelax: CMD: endrepeat -39.4514 2.79255 2.79255 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 1496 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 1497 seconds
Align structures finished.
====================================================================Modeling finished====================================================================
Selected strategy mode: strategy 2
Input query sequence: CVNLTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHAISGTNGTKRFDNPVLPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLGVYHKNNKSWMESEFRVYSSANNCTFEYVSQPFLMDLEGKQGNFKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQTLLALHRSYLTPGDSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLTGTGVLTESNKKFLPFQQFGRDIDDTTDAVRDPQTLEILDITPCSFGGVSVITPGTNTSNQVAVLYQGVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEHVNNSYECDIPIGAGICASYQTQTNSHGSASSVASQSIIAYTMSLGAENSVAYSNNSIAIPINFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQEVFAQVKQIYKTPPIKDFGGFNFSQILPDPSKPSKRSFIEDLLFNKVTLADAGFIKQYGDCLGDIAARDLICAQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGAALQIPFAMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTASALGKLQDVVNQNAQALNTLVKQLSSNFGAISSVLNDILARLDPPEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPAICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTHNTFVSGNCDVVIGIVNNTVYDPLQPELDSFKEELDKYFKNHTSPDVDLGDISGINASVVNIQKEIDRLNEVAKNLNESLIDLQELGKYEQ
Job ID: 5a4e3034f8981212b955983c7f8c5177_2b988
Number of models to use: 0
Template mode: custom
DAQ
====================================================================Modeling finished====================================================================
INFO: DAQ-refine status: 0
INFO: STEP-4 Computer refined DAQ Started
gcc -std=c99 -o DAQscore_colab main.c chkcmdline.o mrc.o readpdb.o thread.o dp.o -lm -O3 -msse4.2 -msse -msse2 -msse3 -mmmx -ftree-vectorize -ftree-vectorizer-verbose=3 -ffast-math -march=native -funroll-loops -fopenmp
rank_005_alphafold2_ptm_model_5_seed_000_s2 existed
Origin: (0., 0., 0.)
Previous voxel size: 1.0
----------------------------------------------------------------------------------------------------
resizing finished!
----------------------------------------------------------------------------------------------------
Finished processing model input!
0 batch processing time 1.049325
1 batch processing time 0.966448
2 batch processing time 0.960379
3 batch processing time 0.957412
4 batch processing time 0.969029
5 batch processing time 0.957253
6 batch processing time 0.966470
7 batch processing time 0.958684
8 batch processing time 0.968676
9 batch processing time 0.966785
10 batch processing time 0.974188
11 batch processing time 0.965582
12 batch processing time 0.972179
13 batch processing time 0.966613
14 batch processing time 0.961640
15 batch processing time 0.965451
16 batch processing time 0.986452
17 batch processing time 0.966028
18 batch processing time 0.964562
19 batch processing time 0.966721
20 batch processing time 0.962073
21 batch processing time 0.967762
22 batch processing time 0.963643
23 batch processing time 0.973867
24 batch processing time 0.966300
25 batch processing time 0.966986
26 batch processing time 0.963608
27 batch processing time 0.966580
28 batch processing time 0.966816
29 batch processing time 0.968553
30 batch processing time 0.971278
31 batch processing time 0.967094
32 batch processing time 0.964036
33 batch processing time 0.964996
34 batch processing time 0.964729
35 batch processing time 0.964465
36 batch processing time 0.963845
37 batch processing time 0.965037
38 batch processing time 0.961793
39 batch processing time 0.966379
40 batch processing time 0.966392
41 batch processing time 0.964603
42 batch processing time 0.964518
43 batch processing time 0.968349
44 batch processing time 0.963168
45 batch processing time 0.962480
46 batch processing time 0.960889
47 batch processing time 0.961604
48 batch processing time 0.962188
49 batch processing time 0.962286
50 batch processing time 0.961174
51 batch processing time 0.960311
52 batch processing time 0.961491
53 batch processing time 0.962217
54 batch processing time 0.955717
55 batch processing time 0.955142
56 batch processing time 0.956339
57 batch processing time 0.953058
58 batch processing time 0.953023
59 batch processing time 0.951555
60 batch processing time 0.953362
61 batch processing time 0.953106
62 batch processing time 0.952877
63 batch processing time 0.952163
64 batch processing time 0.972503
65 batch processing time 0.954205
66 batch processing time 0.951546
67 batch processing time 0.951393
68 batch processing time 0.952907
69 batch processing time 0.952834
70 batch processing time 0.953487
71 batch processing time 0.953205
72 batch processing time 0.954266
73 batch processing time 0.953152
74 batch processing time 0.955732
75 batch processing time 0.956494
76 batch processing time 0.952154
77 batch processing time 0.952600
78 batch processing time 0.952657
79 batch processing time 0.952502
80 batch processing time 0.967076
81 batch processing time 0.952775
82 batch processing time 0.952943
83 batch processing time 0.952621
84 batch processing time 0.950293
85 batch processing time 0.952470
86 batch processing time 0.952973
87 batch processing time 0.952412
88 batch processing time 0.951217
89 batch processing time 0.953186
90 batch processing time 0.951720
91 batch processing time 0.952398
92 batch processing time 0.951259
93 batch processing time 0.953517
94 batch processing time 0.951145
95 batch processing time 0.950256
96 batch processing time 0.951101
97 batch processing time 0.953986
98 batch processing time 0.955631
99 batch processing time 0.955515
100 batch processing time 0.955301
101 batch processing time 0.953313
102 batch processing time 0.952306
103 batch processing time 0.955161
104 batch processing time 0.952565
105 batch processing time 0.951508
106 batch processing time 0.959129
107 batch processing time 0.955747
108 batch processing time 0.950010
109 batch processing time 0.952638
110 batch processing time 0.950830
111 batch processing time 0.950384
112 batch processing time 0.952468
113 batch processing time 0.953003
114 batch processing time 0.950026
115 batch processing time 0.953072
116 batch processing time 0.952493
117 batch processing time 0.950351
118 batch processing time 0.953837
119 batch processing time 0.953639
120 batch processing time 0.950660
121 batch processing time 0.951946
122 batch processing time 0.953397
123 batch processing time 0.953103
124 batch processing time 0.949466
125 batch processing time 0.952299
126 batch processing time 0.950935
127 batch processing time 0.950828
128 batch processing time 0.971632
129 batch processing time 0.951184
130 batch processing time 0.949220
131 batch processing time 0.950971
132 batch processing time 0.949220
133 batch processing time 0.950322
134 batch processing time 0.952403
135 batch processing time 0.952300
136 batch processing time 0.948769
137 batch processing time 0.957249
138 batch processing time 0.948863
139 batch processing time 0.949928
140 batch processing time 0.948383
141 batch processing time 0.948231
142 batch processing time 0.948558
143 batch processing time 0.948255
144 batch processing time 0.950055
145 batch processing time 0.949356
146 batch processing time 0.949135
prediction.txt, please have a check!
exe_path
daq_raw_score.pdb
total different chains: {'A'}
-1.63
-1.04
-0.03
-0.47
-0.82
-0.32
0.02
0.12
0.06
0.16
-0.18
-0.04
-0.03
-0.42
-0.83
-0.22
-0.34
-1.0
-0.91
0.12
-0.13
-1.01
-1.15
-1.03
0.69
0.36
-0.23
-1.35
-1.68
-0.72
-1.7
-0.42
-0.25
-0.1
0.01
-0.6
0.04
0.19
0.11
0.49
0.11
0.09
-0.12
-0.04
-0.4
0.16
-0.08
-0.52
-0.44
-0.22
-0.59
-0.16
-0.06
-1.05
-0.43
0.25
-0.84
-0.24
-0.56
-0.7
0.36
0.17
-0.73
0.13
0.01
-0.68
-1.35
-0.39
-0.54
-0.7
-0.09
0.14
-0.34
-1.11
-0.37
-0.8
-0.06
-0.32
-0.87
0.4
0.52
-0.4
-0.1
-1.12
-1.05
0.17
-0.58
-0.05
-1.13
-0.71
-0.27
-0.78
-0.83
-0.51
-0.15
-0.52
0.37
-0.83
0.09
-0.52
-0.55
-0.29
-0.56
-0.28
0.4
-0.07
-0.97
-1.61
-0.12
-1.21
-0.82
-0.79
0.46
-0.64
0.03
-0.3
-0.54
-0.13
-0.72
-1.21
-0.53
-0.11
-0.32
-0.64
-0.5
0.66
-2.28
-1.22
-0.48
-0.94
0.13
0.12
-0.34
0.28
1.12
0.37
-1.96
-2.73
-0.79
0.63
0.02
2.03
-1.43
0.88
-0.26
0.07
0.64
-1.64
-0.02
0.26
-0.01
-1.83
-1.67
0.1
0.47
-0.67
-0.84
-0.95
-0.64
-0.04
-0.0
-0.33
0.33
0.47
-0.03
0.01
0.87
0.17
-0.02
-0.51
-0.48
-0.01
0.46
1.23
-0.63
1.04
1.2
-0.75
-0.6
-0.72
-0.15
-0.26
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[['A', ' N ', 232.019, 253.027, 250.369], ['A', ' CA ', 233.411, 253.444, 250.31], ['A', ' C ', 233.64, 253.942, 248.898], ['A', ' O ', 234.774, 254.113, 248.448], ['A', ' H ', 231.423, 253.643, 249.825], ['A', '1HA ', 233.6, 254.24, 251.03], ['A', '2HA ', 234.071, 252.606, 250.533]]
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[['A', ' N ', 233.315, 256.483, 245.605], ['A', ' CA ', 233.515, 257.881, 245.232], ['A', ' C ', 233.218, 258.114, 243.743], ['A', ' O ', 234.137, 258.06, 242.919], ['A', ' CB ', 234.966, 258.316, 245.459], ['A', ' OG1', 235.823, 257.47, 244.685], ['A', ' CG2', 235.326, 258.169, 246.933], ['A', ' H ', 233.735, 255.773, 245.023], ['A', ' HA ', 232.844, 258.506, 245.822], ['A', ' HB ', 235.091, 259.351, 245.143], ['A', ' HG1', 235.646, 257.651, 243.733], ['A', '1HG2', 236.356, 258.473, 247.084], ['A', '2HG2', 234.666, 258.794, 247.531], ['A', '3HG2', 235.213, 257.13, 247.238]]
[['A', ' N ', 231.947, 258.308, 243.39], ['A', ' CA ', 231.541, 258.493, 241.989], ['A', ' C ', 232.014, 259.855, 241.461], ['A', ' O ', 232.108, 260.813, 242.231], ['A', ' CB ', 230.033, 258.38, 241.85], ['A', ' H ', 231.25, 258.333, 244.12], ['A', ' HA ', 232.013, 257.713, 241.391], ['A', '1HB ', 229.759, 258.5, 240.802], ['A', '2HB ', 229.707, 257.402, 242.203], ['A', '3HB ', 229.552, 259.158, 242.44]]
[['A', ' N ', 232.31, 259.935, 240.154], ['A', ' CA ', 232.739, 261.189, 239.517], ['A', ' C ', 231.644, 261.874, 238.689], ['A', ' O ', 230.451, 261.681, 238.925], ['A', ' H ', 232.228, 259.106, 239.586], ['A', '1HA ', 233.091, 261.876, 240.287], ['A', '2HA ', 233.595, 260.983, 238.876]]
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[['A', ' N ', 230.906, 264.025, 234.516], ['A', ' CA ', 231.341, 264.43, 233.194], ['A', ' C ', 231.781, 265.874, 233.159], ['A', ' O ', 231.336, 266.695, 233.962], ['A', ' CB ', 230.221, 264.255, 232.198], ['A', ' H ', 229.916, 263.951, 234.694], ['A', ' HA ', 232.188, 263.81, 232.906], ['A', '1HB ', 230.577, 264.555, 231.211], ['A', '2HB ', 229.903, 263.214, 232.173], ['A', '3HB ', 229.39, 264.883, 232.489]]
[['A', ' N ', 232.687, 266.177, 232.243], ['A', ' CA ', 233.047, 267.556, 231.977], ['A', ' C ', 232.06, 268.064, 230.942], ['A', ' O ', 231.655, 267.286, 230.077], ['A', ' CB ', 234.479, 267.658, 231.487], ['A', ' H ', 233.085, 265.442, 231.675], ['A', ' HA ', 232.925, 268.134, 232.89], ['A', '1HB ', 234.716, 268.693, 231.297], ['A', '2HB ', 235.144, 267.266, 232.256], ['A', '3HB ', 234.598, 267.083, 230.573]]
[['A', ' N ', 231.692, 269.345, 230.966], ['A', ' CA ', 230.753, 269.803, 229.942], ['A', ' C ', 231.215, 270.94, 229.013], ['A', ' O ', 231.301, 272.094, 229.44], ['A', ' CB ', 229.462, 270.207, 230.625], ['A', ' CG ', 228.759, 269.071, 231.322], ['A', ' CD1', 229.048, 268.777, 232.624], ['A', ' CD2', 227.812, 268.34, 230.65], ['A', ' CE1', 228.385, 267.771, 233.255], ['A', ' CE2', 227.15, 267.331, 231.282], ['A', ' CZ ', 227.429, 267.051, 232.581], ['A', ' OH ', 226.745, 266.054, 233.227], ['A', ' H ', 232.036, 269.976, 231.676], ['A', ' HA ', 230.529, 268.959, 229.296], ['A', '1HB ', 229.663, 270.987, 231.359], ['A', '2HB ', 228.78, 270.625, 229.884], ['A', ' HD1', 229.8, 269.35, 233.16], ['A', ' HD2', 227.584, 268.576, 229.61], ['A', ' HE1', 228.615, 267.543, 234.297], ['A', ' HE2', 226.392, 266.76, 230.747], ['A', ' HH ', 226.105, 265.662, 232.626]]
[['A', ' N ', 231.484, 270.605, 227.725], ['A', ' CA ', 231.895, 271.6, 226.714], ['A', ' C ', 231.2, 271.374, 225.358], ['A', ' O ', 231.242, 270.262, 224.824], ['A', ' CB ', 233.417, 271.576, 226.501], ['A', ' CG ', 234.218, 271.907, 227.737], ['A', ' CD1', 234.667, 270.897, 228.584], ['A', ' CD2', 234.482, 273.221, 228.034], ['A', ' CE1', 235.375, 271.221, 229.707], ['A', ' CE2', 235.187, 273.538, 229.16], ['A', ' CZ ', 235.631, 272.546, 229.993], ['A', ' OH ', 236.336, 272.87, 231.127], ['A', ' H ', 231.391, 269.636, 227.452], ['A', ' HA ', 231.607, 272.59, 227.068], ['A', '1HB ', 233.72, 270.589, 226.153], ['A', '2HB ', 233.684, 272.291, 225.724], ['A', ' HD1', 234.455, 269.851, 228.355], ['A', ' HD2', 234.125, 274.011, 227.375], ['A', ' HE1', 235.733, 270.447, 230.371], ['A', ' HE2', 235.393, 274.582, 229.396], ['A', ' HH ', 236.429, 273.825, 231.183]]
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[['A', ' N ', 229.727, 274.115, 221.716], ['A', ' CA ', 229.396, 275.433, 221.171], ['A', ' C ', 228.051, 275.392, 220.508], ['A', ' O ', 227.235, 274.521, 220.803], ['A', ' H ', 229.98, 273.36, 221.094], ['A', '1HA ', 229.405, 276.184, 221.96], ['A', '2HA ', 230.132, 275.726, 220.429]]
[['A', ' N ', 227.827, 276.304, 219.568], ['A', ' CA ', 226.565, 276.332, 218.843], ['A', ' C ', 226.874, 276.203, 217.355], ['A', ' O ', 227.899, 276.701, 216.893], ['A', ' CB ', 225.769, 277.561, 219.241], ['A', ' CG ', 225.371, 277.488, 220.706], ['A', ' CD1', 226.21, 277.96, 221.676], ['A', ' CD2', 224.171, 276.922, 221.068], ['A', ' CE1', 225.858, 277.863, 222.996], ['A', ' CE2', 223.82, 276.829, 222.395], ['A', ' CZ ', 224.661, 277.295, 223.35], ['A', ' OH ', 224.316, 277.2, 224.673], ['A', ' H ', 228.534, 277.003, 219.374], ['A', ' HA ', 225.977, 275.462, 219.128], ['A', '1HB ', 226.355, 278.465, 219.083], ['A', '2HB ', 224.864, 277.63, 218.64], ['A', ' HD1', 227.164, 278.405, 221.399], ['A', ' HD2', 223.497, 276.54, 220.304], ['A', ' HE1', 226.537, 278.237, 223.76], ['A', ' HE2', 222.868, 276.378, 222.681], ['A', ' HH ', 225.005, 277.596, 225.212]]
[['A', ' N ', 226.006, 275.51, 216.616], ['A', ' CA ', 226.278, 275.195, 215.204], ['A', ' C ', 225.65, 276.076, 214.123], ['A', ' O ', 224.459, 276.402, 214.15], ['A', ' CB ', 225.893, 273.718, 214.979], ['A', ' CG ', 226.154, 273.07, 213.583], ['A', ' CD1', 226.492, 271.597, 213.812], ['A', ' CD2', 224.891, 273.164, 212.687], ['A', ' H ', 225.162, 275.159, 217.048], ['A', ' HA ', 227.349, 275.26, 215.069], ['A', '1HB ', 226.439, 273.134, 215.699], ['A', '2HB ', 224.834, 273.605, 215.199], ['A', ' HG ', 227.0, 273.558, 213.095], ['A', '1HD1', 226.678, 271.1, 212.876], ['A', '2HD1', 227.381, 271.525, 214.434], ['A', '3HD1', 225.658, 271.11, 214.314], ['A', '1HD2', 225.084, 272.689, 211.727], ['A', '2HD2', 224.058, 272.653, 213.176], ['A', '3HD2', 224.621, 274.181, 212.52]]
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[['A', ' N ', 196.333, 327.842, 219.709], ['A', ' CA ', 195.066, 327.579, 220.403], ['A', ' C ', 195.479, 327.542, 221.894], ['A', ' O ', 196.564, 328.091, 222.114], ['A', ' CB ', 194.414, 326.27, 219.919], ['A', ' CG ', 192.915, 326.075, 220.386], ['A', ' CD ', 192.246, 324.844, 219.807], ['A', ' OE1', 192.863, 324.156, 219.023], ['A', ' OE2', 191.11, 324.601, 220.137], ['A', ' H ', 197.049, 327.243, 220.096], ['A', ' HA ', 194.385, 328.402, 220.246], ['A', '1HB ', 194.409, 326.22, 218.843], ['A', '2HB ', 194.993, 325.414, 220.286], ['A', '1HG ', 192.849, 326.001, 221.458], ['A', '2HG ', 192.36, 326.948, 220.076]]
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[['A', ' N ', 193.602, 325.397, 225.427], ['A', ' CA ', 192.286, 324.9, 225.831], ['A', ' C ', 192.236, 323.561, 226.588], ['A', ' O ', 192.405, 322.572, 225.876], ['A', ' CB ', 191.322, 324.766, 224.646], ['A', ' CG ', 189.97, 324.366, 225.133], ['A', ' CD1', 189.18, 325.32, 225.747], ['A', ' CD2', 189.514, 323.068, 224.996], ['A', ' CE1', 187.943, 324.985, 226.229], ['A', ' CE2', 188.27, 322.725, 225.478], ['A', ' CZ ', 187.484, 323.682, 226.096], ['A', ' OH ', 186.241, 323.355, 226.582], ['A', ' H ', 194.364, 324.853, 225.808], ['A', ' HA ', 191.864, 325.645, 226.504], ['A', '1HB ', 191.212, 325.689, 224.099], ['A', '2HB ', 191.676, 324.01, 223.946], ['A', ' HD1', 189.548, 326.34, 225.854], ['A', ' HD2', 190.144, 322.315, 224.514], ['A', ' HE1', 187.326, 325.739, 226.714], ['A', ' HE2', 187.913, 321.701, 225.376], ['A', ' HH ', 186.064, 322.426, 226.414]]
[['A', ' N ', 192.847, 323.612, 227.78], ['A', ' CA ', 192.241, 322.844, 228.888], ['A', ' C ', 192.444, 321.331, 229.054], ['A', ' O ', 193.137, 320.655, 228.292], ['A', ' CB ', 190.708, 323.074, 228.878], ['A', ' CG ', 190.28, 324.398, 229.373], ['A', ' CD ', 190.554, 324.446, 230.868], ['A', ' OE1', 190.763, 323.359, 231.47], ['A', ' NE2', 190.562, 325.633, 231.466], ['A', ' H ', 193.842, 323.456, 227.738], ['A', ' HA ', 192.638, 323.283, 229.799], ['A', '1HB ', 190.313, 322.971, 227.877], ['A', '2HB ', 190.184, 322.334, 229.459], ['A', '1HG ', 190.854, 325.18, 228.878], ['A', '2HG ', 189.213, 324.535, 229.195], ['A', '1HE2', 190.739, 325.702, 232.453], ['A', '2HE2', 190.389, 326.468, 230.938]]
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[['A', ' N ', 192.517, 318.227, 232.448], ['A', ' CA ', 193.309, 317.091, 232.928], ['A', ' C ', 192.682, 316.625, 234.245], ['A', ' O ', 191.883, 315.687, 234.27], ['A', ' H ', 192.11, 318.73, 233.227], ['A', '1HA ', 193.295, 316.286, 232.199], ['A', '2HA ', 194.343, 317.396, 233.085]]
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[['A', ' N ', 192.157, 314.719, 236.958], ['A', ' CA ', 192.136, 313.48, 237.772], ['A', ' C ', 192.82, 312.248, 237.163], ['A', ' O ', 192.118, 311.344, 236.692], ['A', ' CB ', 190.691, 313.042, 238.048], ['A', ' OG1', 190.039, 312.831, 236.807], ['A', ' CG2', 189.942, 314.127, 238.834], ['A', ' H ', 191.8, 314.751, 236.0], ['A', ' HA ', 192.602, 313.69, 238.73], ['A', ' HB ', 190.691, 312.113, 238.62], ['A', ' HG1', 190.476, 312.057, 236.372], ['A', '1HG2', 188.92, 313.797, 239.006], ['A', '2HG2', 190.434, 314.315, 239.791], ['A', '3HG2', 189.924, 315.044, 238.262]]
[['A', ' N ', 194.159, 312.215, 237.076], ['A', ' CA ', 194.982, 311.121, 236.565], ['A', ' C ', 195.143, 309.963, 237.563], ['A', ' O ', 194.892, 310.139, 238.752], ['A', ' CB ', 196.312, 311.825, 236.291], ['A', ' CG ', 196.389, 312.931, 237.327], ['A', ' CD ', 194.955, 313.406, 237.495], ['A', ' HA ', 194.53, 310.757, 235.634], ['A', '1HB ', 197.139, 311.109, 236.355], ['A', '2HB ', 196.308, 312.209, 235.259], ['A', '1HG ', 196.83, 312.564, 238.263], ['A', '2HG ', 197.045, 313.742, 236.966], ['A', '1HD ', 194.784, 313.678, 238.546], ['A', '2HD ', 194.78, 314.248, 236.814]]
[['A', ' N ', 195.68, 308.844, 237.062], ['A', ' CA ', 196.09, 307.624, 237.796], ['A', ' C ', 194.933, 306.754, 238.352], ['A', ' O ', 193.982, 306.476, 237.62], ['A', ' CB ', 197.013, 308.039, 238.945], ['A', ' SG ', 198.452, 308.938, 238.382], ['A', ' H ', 195.823, 308.824, 236.062], ['A', ' HA ', 196.66, 307.005, 237.108], ['A', '1HB ', 196.487, 308.64, 239.684], ['A', '2HB ', 197.389, 307.15, 239.443], ['A', ' HG ', 197.746, 310.004, 238.007]]
[['A', ' N ', 195.046, 306.314, 239.628], ['A', ' CA ', 194.139, 305.372, 240.326], ['A', ' C ', 194.547, 303.908, 239.993], ['A', ' O ', 195.316, 303.673, 239.058], ['A', ' CB ', 192.666, 305.658, 239.988], ['A', ' CG ', 191.621, 305.002, 240.944], ['A', ' OD1', 191.929, 304.112, 241.756], ['A', ' ND2', 190.388, 305.442, 240.838], ['A', ' H ', 195.838, 306.628, 240.161], ['A', ' HA ', 194.268, 305.499, 241.402], ['A', '1HB ', 192.5, 306.736, 239.961], ['A', '2HB ', 192.451, 305.267, 238.999], ['A', '1HD2', 189.67, 305.057, 241.42], ['A', '2HD2', 190.164, 306.159, 240.176]]
[['A', ' N ', 194.062, 302.942, 240.794], ['A', ' CA ', 194.371, 301.505, 240.65], ['A', ' C ', 195.161, 300.981, 241.859], ['A', ' O ', 195.734, 301.886, 242.469], ['A', ' H ', 193.416, 303.236, 241.514], ['A', '1HA ', 193.441, 300.946, 240.558], ['A', '2HA ', 194.938, 301.343, 239.734]]
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[['A', ' N ', 195.515, 296.687, 243.682], ['A', ' CA ', 195.21, 295.24, 243.908], ['A', ' C ', 195.029, 294.362, 242.659], ['A', ' O ', 194.78, 294.859, 241.56], ['A', ' CB ', 193.964, 295.036, 244.796], ['A', ' CG ', 194.076, 295.576, 246.213], ['A', ' CD ', 195.159, 294.918, 247.002], ['A', ' OE1', 195.505, 293.802, 246.692], ['A', ' OE2', 195.66, 295.535, 247.908], ['A', ' H ', 196.494, 296.934, 243.682], ['A', ' HA ', 196.056, 294.823, 244.456], ['A', '1HB ', 193.076, 295.435, 244.333], ['A', '2HB ', 193.785, 293.968, 244.896], ['A', '1HG ', 194.244, 296.637, 246.189], ['A', '2HG ', 193.127, 295.405, 246.717]]
[['A', ' N ', 195.179, 293.025, 242.85], ['A', ' CA ', 195.028, 292.046, 241.758], ['A', ' C ', 196.216, 291.076, 241.547], ['A', ' O ', 196.934, 291.393, 240.6], ['A', ' H ', 195.382, 292.686, 243.784], ['A', '1HA ', 194.129, 291.458, 241.945], ['A', '2HA ', 194.846, 292.583, 240.828]]
[['A', ' N ', 196.833, 290.705, 242.676], ['A', ' CA ', 197.538, 289.403, 242.615], ['A', ' C ', 197.018, 288.265, 243.512], ['A', ' O ', 196.737, 288.48, 244.693], ['A', ' CB ', 199.012, 289.619, 242.958], ['A', ' CG ', 199.818, 288.352, 242.978], ['A', ' CD1', 200.315, 287.811, 241.81], ['A', ' CD2', 200.064, 287.694, 244.173], ['A', ' CE1', 201.038, 286.644, 241.835], ['A', ' CE2', 200.785, 286.528, 244.197], ['A', ' CZ ', 201.275, 286.007, 243.026], ['A', ' H ', 197.436, 291.423, 243.05], ['A', ' HA ', 197.479, 289.054, 241.584], ['A', '1HB ', 199.456, 290.297, 242.23], ['A', '2HB ', 199.089, 290.085, 243.935], ['A', ' HD1', 200.126, 288.313, 240.862], ['A', ' HD2', 199.668, 288.111, 245.102], ['A', ' HE1', 201.424, 286.223, 240.909], ['A', ' HE2', 200.97, 286.017, 245.142], ['A', ' HZ ', 201.85, 285.085, 243.039]]
[['A', ' N ', 196.949, 287.047, 242.936], ['A', ' CA ', 196.561, 285.809, 243.628], ['A', ' C ', 197.436, 284.638, 243.149], ['A', ' O ', 197.904, 284.657, 242.01], ['A', ' CB ', 195.105, 285.483, 243.364], ['A', ' CG ', 194.15, 286.48, 243.936], ['A', ' OD1', 193.904, 286.501, 245.147], ['A', ' ND2', 193.593, 287.308, 243.088], ['A', ' H ', 197.182, 286.971, 241.955], ['A', ' HA ', 196.729, 285.936, 244.7], ['A', '1HB ', 194.942, 285.421, 242.289], ['A', '2HB ', 194.879, 284.509, 243.782], ['A', '1HD2', 192.945, 287.992, 243.417], ['A', '2HD2', 193.818, 287.252, 242.118]]
[['A', ' N ', 197.628, 283.607, 243.995], ['A', ' CA ', 198.387, 282.404, 243.594], ['A', ' C ', 198.148, 281.158, 244.465], ['A', ' O ', 198.257, 281.224, 245.691], ['A', ' CB ', 199.882, 282.696, 243.601], ['A', ' SG ', 200.901, 281.307, 243.064], ['A', ' H ', 197.229, 283.651, 244.923], ['A', ' HA ', 198.095, 282.161, 242.574], ['A', '1HB ', 200.071, 283.511, 242.926], ['A', '2HB ', 200.198, 282.997, 244.598], ['A', ' HG ', 200.452, 280.442, 243.978]]
[['A', ' N ', 197.866, 280.02, 243.81], ['A', ' CA ', 197.608, 278.727, 244.47], ['A', ' C ', 198.349, 277.586, 243.73], ['A', ' O ', 198.602, 277.719, 242.531], ['A', ' CB ', 196.097, 278.467, 244.474], ['A', ' CG ', 195.292, 279.592, 245.136], ['A', ' CD1', 194.836, 280.663, 244.36], ['A', ' CD2', 195.023, 279.569, 246.491], ['A', ' CE1', 194.124, 281.692, 244.938], ['A', ' CE2', 194.307, 280.603, 247.068], ['A', ' CZ ', 193.862, 281.66, 246.296], ['A', ' OH ', 193.147, 282.683, 246.875], ['A', ' H ', 197.815, 280.057, 242.801], ['A', ' HA ', 197.98, 278.769, 245.493], ['A', '1HB ', 195.743, 278.346, 243.45], ['A', '2HB ', 195.892, 277.539, 245.004], ['A', ' HD1', 195.044, 280.687, 243.293], ['A', ' HD2', 195.376, 278.742, 247.105], ['A', ' HE1', 193.769, 282.523, 244.332], ['A', ' HE2', 194.095, 280.584, 248.136], ['A', ' HH ', 192.988, 282.484, 247.801]]
[['A', ' N ', 198.681, 276.463, 244.41], ['A', ' CA ', 199.327, 275.34, 243.69], ['A', ' C ', 199.096, 273.892, 244.265], ['A', ' O ', 199.379, 273.656, 245.438], ['A', ' CB ', 200.829, 275.594, 243.638], ['A', ' CG ', 201.583, 274.526, 242.934], ['A', ' CD1', 201.539, 274.422, 241.556], ['A', ' CD2', 202.344, 273.617, 243.653], ['A', ' CE1', 202.23, 273.43, 240.909], ['A', ' CE2', 203.043, 272.626, 243.008], ['A', ' CZ ', 202.984, 272.53, 241.634], ['A', ' H ', 198.476, 276.387, 245.398], ['A', ' HA ', 198.975, 275.408, 242.672], ['A', '1HB ', 201.019, 276.54, 243.123], ['A', '2HB ', 201.223, 275.685, 244.646], ['A', ' HD1', 200.942, 275.134, 240.984], ['A', ' HD2', 202.379, 273.701, 244.745], ['A', ' HE1', 202.185, 273.354, 239.822], ['A', ' HE2', 203.645, 271.921, 243.572], ['A', ' HZ ', 203.535, 271.744, 241.121]]
[['A', ' N ', 198.603, 272.921, 243.43], ['A', ' CA ', 198.378, 271.479, 243.709], ['A', ' C ', 199.537, 270.584, 243.22], ['A', ' O ', 199.87, 270.775, 242.059], ['A', ' CB ', 197.136, 271.176, 242.859], ['A', ' CG ', 197.26, 272.095, 241.658], ['A', ' CD ', 197.977, 273.351, 242.156], ['A', ' HA ', 198.186, 271.322, 244.77], ['A', '1HB ', 197.14, 270.112, 242.583], ['A', '2HB ', 196.226, 271.347, 243.455], ['A', '1HG ', 197.813, 271.59, 240.853], ['A', '2HG ', 196.256, 272.317, 241.254], ['A', '1HD ', 198.749, 273.625, 241.42], ['A', '2HD ', 197.235, 274.15, 242.327]]
[['A', ' N ', 200.498, 270.414, 244.13], ['A', ' CA ', 201.139, 269.086, 244.211], ['A', ' C ', 200.26, 267.946, 244.778], ['A', ' O ', 199.589, 268.136, 245.799], ['A', ' CB ', 202.404, 269.227, 245.079], ['A', ' CG ', 203.344, 267.986, 245.228], ['A', ' CD1', 203.998, 267.646, 243.894], ['A', ' CD2', 204.41, 268.306, 246.266], ['A', ' H ', 201.179, 271.159, 244.144], ['A', ' HA ', 201.427, 268.813, 243.198], ['A', '1HB ', 202.998, 270.033, 244.68], ['A', '2HB ', 202.082, 269.513, 246.078], ['A', ' HG ', 202.766, 267.118, 245.556], ['A', '1HD1', 204.651, 266.782, 244.025], ['A', '2HD1', 203.246, 267.405, 243.15], ['A', '3HD1', 204.587, 268.495, 243.549], ['A', '1HD2', 205.074, 267.448, 246.392], ['A', '2HD2', 204.995, 269.169, 245.941], ['A', '3HD2', 203.928, 268.532, 247.218]]
[['A', ' N ', 200.284, 266.763, 244.103], ['A', ' CA ', 199.585, 265.514, 244.499], ['A', ' C ', 200.458, 264.249, 244.271], ['A', ' O ', 201.31, 264.247, 243.381], ['A', ' CB ', 198.265, 265.363, 243.725], ['A', ' CG ', 197.209, 266.429, 244.017], ['A', ' CD ', 196.56, 266.236, 245.382], ['A', ' OE1', 195.557, 265.524, 245.507], ['A', ' NE2', 197.14, 266.841, 246.407], ['A', ' H ', 200.82, 266.717, 243.246], ['A', ' HA ', 199.376, 265.562, 245.565], ['A', '1HB ', 198.468, 265.38, 242.657], ['A', '2HB ', 197.829, 264.39, 243.956], ['A', '1HG ', 197.653, 267.418, 243.987], ['A', '2HG ', 196.428, 266.357, 243.261], ['A', '1HE2', 196.763, 266.746, 247.326], ['A', '2HE2', 197.99, 267.389, 246.256]]
[['A', ' N ', 200.224, 263.164, 245.056], ['A', ' CA ', 200.959, 261.883, 244.904], ['A', ' C ', 200.193, 260.633, 245.421], ['A', ' O ', 199.175, 260.771, 246.101], ['A', ' CB ', 202.294, 261.953, 245.622], ['A', ' OG ', 202.118, 262.016, 247.011], ['A', ' H ', 199.523, 263.224, 245.782], ['A', ' HA ', 201.146, 261.734, 243.837], ['A', '1HB ', 202.893, 261.08, 245.371], ['A', '2HB ', 202.847, 262.831, 245.285], ['A', ' HG ', 202.994, 262.121, 247.386]]
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[['A', ' N ', 200.837, 255.791, 244.961], ['A', ' CA ', 200.229, 254.612, 244.358], ['A', ' C ', 201.267, 253.572, 243.956], ['A', ' O ', 200.819, 252.664, 243.267], ['A', ' H ', 201.777, 255.569, 245.294], ['A', '1HA ', 199.523, 254.17, 245.043], ['A', '2HA ', 199.668, 254.919, 243.463]]
[['A', ' N ', 202.399, 254.175, 243.626], ['A', ' CA ', 203.706, 253.551, 243.756], ['A', ' C ', 203.833, 252.21, 243.043], ['A', ' O ', 203.783, 252.188, 241.821], ['A', ' CB ', 204.113, 253.445, 245.221], ['A', ' CG ', 204.265, 254.811, 245.854], ['A', ' CD1', 203.381, 255.231, 246.828], ['A', ' CD2', 205.253, 255.686, 245.445], ['A', ' CE1', 203.481, 256.471, 247.376], ['A', ' CE2', 205.35, 256.933, 245.996], ['A', ' CZ ', 204.463, 257.325, 246.962], ['A', ' H ', 202.322, 254.594, 242.703], ['A', ' HA ', 204.428, 254.218, 243.28], ['A', '1HB ', 203.369, 252.879, 245.789], ['A', '2HB ', 205.067, 252.934, 245.302], ['A', ' HD1', 202.591, 254.553, 247.156], ['A', ' HD2', 205.959, 255.383, 244.671], ['A', ' HE1', 202.774, 256.788, 248.142], ['A', ' HE2', 206.134, 257.618, 245.667], ['A', ' HZ ', 204.536, 258.318, 247.404]]
[['A', ' N ', 204.054, 251.113, 243.772], ['A', ' CA ', 204.262, 249.795, 243.157], ['A', ' C ', 205.069, 249.867, 241.852], ['A', ' O ', 204.517, 249.674, 240.767], ['A', ' CB ', 202.953, 249.049, 242.881], ['A', ' CG ', 203.189, 247.613, 242.286], ['A', ' CD ', 203.942, 246.719, 243.222], ['A', ' OE1', 203.395, 246.269, 244.232], ['A', ' NE2', 205.237, 246.485, 242.933], ['A', ' H ', 204.071, 251.175, 244.779], ['A', ' HA ', 204.793, 249.177, 243.871], ['A', '1HB ', 202.379, 248.957, 243.799], ['A', '2HB ', 202.351, 249.62, 242.168], ['A', '1HG ', 202.21, 247.166, 242.148], ['A', '2HG ', 203.704, 247.609, 241.34], ['A', '1HE2', 205.781, 245.905, 243.54], ['A', '2HE2', 205.714, 246.913, 242.111]]
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[['A', ' N ', 208.101, 248.948, 238.966], ['A', ' CA ', 208.575, 247.791, 238.217], ['A', ' C ', 210.083, 247.82, 238.164], ['A', ' O ', 210.676, 248.836, 237.801], ['A', ' CB ', 208.026, 247.778, 236.767], ['A', ' OG1', 206.602, 247.69, 236.804], ['A', ' CG2', 208.595, 246.593, 235.956], ['A', ' H ', 208.228, 249.858, 238.546], ['A', ' HA ', 208.265, 246.879, 238.729], ['A', ' HB ', 208.306, 248.709, 236.276], ['A', ' HG1', 206.243, 248.487, 237.208], ['A', '1HG2', 208.187, 246.623, 234.947], ['A', '2HG2', 209.684, 246.655, 235.896], ['A', '3HG2', 208.316, 245.656, 236.43]]
[['A', ' N ', 210.709, 246.711, 238.531], ['A', ' CA ', 212.154, 246.641, 238.504], ['A', ' C ', 212.659, 246.006, 237.239], ['A', ' O ', 212.147, 244.981, 236.787], ['A', ' CB ', 212.727, 245.864, 239.685], ['A', ' CG ', 214.257, 245.821, 239.635], ['A', ' CD1', 214.983, 246.896, 240.108], ['A', ' CD2', 214.924, 244.735, 239.089], ['A', ' CE1', 216.348, 246.891, 240.035], ['A', ' CE2', 216.295, 244.742, 239.025], ['A', ' CZ ', 216.997, 245.814, 239.494], ['A', ' OH ', 218.356, 245.817, 239.43], ['A', ' H ', 210.17, 245.906, 238.821], ['A', ' HA ', 212.547, 247.655, 238.537], ['A', '1HB ', 212.422, 246.335, 240.619], ['A', '2HB ', 212.35, 244.843, 239.682], ['A', ' HD1', 214.466, 247.759, 240.528], ['A', ' HD2', 214.361, 243.882, 238.707], ['A', ' HE1', 216.915, 247.743, 240.406], ['A', ' HE2', 216.825, 243.892, 238.596], ['A', ' HH ', 218.691, 246.637, 239.798]]
[['A', ' N ', 213.696, 246.601, 236.709], ['A', ' CA ', 214.4, 246.093, 235.571], ['A', ' C ', 215.537, 247.043, 235.31], ['A', ' O ', 215.623, 248.108, 235.93], ['A', ' H ', 214.021, 247.471, 237.11], ['A', '1HA ', 214.782, 245.091, 235.78], ['A', '2HA ', 213.737, 246.034, 234.709]]
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[['A', ' N ', 218.579, 248.446, 232.143], ['A', ' CA ', 218.927, 248.519, 230.734], ['A', ' C ', 220.289, 247.882, 230.475], ['A', ' O ', 220.855, 247.198, 231.327], ['A', ' H ', 218.993, 249.098, 232.792], ['A', '1HA ', 218.169, 248.007, 230.143], ['A', '2HA ', 218.94, 249.558, 230.41]]
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[['A', ' N ', 224.026, 248.485, 227.691], ['A', ' CA ', 224.695, 249.433, 226.794], ['A', ' C ', 224.994, 248.854, 225.391], ['A', ' O ', 225.867, 247.995, 225.264], ['A', ' CB ', 226.012, 249.886, 227.401], ['A', ' CG ', 226.7, 250.93, 226.573], ['A', ' CD ', 227.934, 251.347, 227.161], ['A', ' OE1', 228.663, 250.538, 227.754], ['A', ' NE2', 228.234, 252.616, 227.021], ['A', ' H ', 224.551, 247.722, 228.097], ['A', ' HA ', 224.065, 250.307, 226.727], ['A', '1HB ', 225.836, 250.288, 228.398], ['A', '2HB ', 226.684, 249.032, 227.499], ['A', '1HG ', 226.911, 250.542, 225.571], ['A', '2HG ', 226.046, 251.794, 226.494], ['A', '1HE2', 229.088, 252.978, 227.406], ['A', '2HE2', 227.616, 253.227, 226.528]]
[['A', ' N ', 224.237, 249.23, 224.343], ['A', ' CA ', 224.395, 248.772, 222.991], ['A', ' C ', 225.53, 249.47, 222.294], ['A', ' O ', 225.804, 250.639, 222.556], ['A', ' CB ', 223.072, 249.167, 222.345], ['A', ' CG ', 222.672, 250.397, 223.073], ['A', ' CD ', 223.148, 250.193, 224.499], ['A', ' HA ', 224.538, 247.682, 222.984], ['A', '1HB ', 223.221, 249.332, 221.269], ['A', '2HB ', 222.338, 248.361, 222.44], ['A', '1HG ', 223.136, 251.281, 222.603], ['A', '2HG ', 221.586, 250.539, 223.022], ['A', '1HD ', 223.511, 251.16, 224.864], ['A', '2HD ', 222.34, 249.768, 225.11]]
[['A', ' N ', 226.076, 248.788, 221.32], ['A', ' CA ', 227.013, 249.336, 220.377], ['A', ' C ', 226.461, 248.857, 219.048], ['A', ' O ', 225.974, 247.725, 218.963], ['A', ' CB ', 228.4, 248.813, 220.697], ['A', ' CG ', 228.869, 249.19, 222.134], ['A', ' CD1', 228.514, 248.417, 223.251], ['A', ' CD2', 229.661, 250.29, 222.314], ['A', ' CE1', 228.963, 248.778, 224.498], ['A', ' CE2', 230.101, 250.627, 223.556], ['A', ' CZ ', 229.764, 249.89, 224.632], ['A', ' OH ', 230.257, 250.268, 225.854], ['A', ' H ', 225.822, 247.819, 221.21], ['A', ' HA ', 226.99, 250.425, 220.404], ['A', '1HB ', 228.416, 247.728, 220.597], ['A', '2HB ', 229.114, 249.222, 219.983], ['A', ' HD1', 227.883, 247.536, 223.136], ['A', ' HD2', 229.952, 250.898, 221.457], ['A', ' HE1', 228.688, 248.188, 225.37], ['A', ' HE2', 230.74, 251.499, 223.684], ['A', ' HH ', 229.826, 249.764, 226.568]]
[['A', ' N ', 226.48, 249.683, 218.021], ['A', ' CA ', 225.844, 249.266, 216.775], ['A', ' C ', 226.541, 249.532, 215.496], ['A', ' O ', 227.455, 250.346, 215.392], ['A', ' CB ', 224.43, 249.819, 216.667], ['A', ' CG ', 223.465, 249.255, 217.682], ['A', ' CD ', 223.157, 247.826, 217.357], ['A', ' NE ', 222.191, 247.251, 218.229], ['A', ' CZ ', 222.462, 246.593, 219.383], ['A', ' NH1', 223.698, 246.416, 219.823], ['A', ' NH2', 221.452, 246.102, 220.079], ['A', ' H ', 226.908, 250.596, 218.098], ['A', ' HA ', 225.775, 248.189, 216.81], ['A', '1HB ', 224.461, 250.899, 216.812], ['A', '2HB ', 224.029, 249.647, 215.666], ['A', '1HG ', 223.838, 249.33, 218.693], ['A', '2HG ', 222.53, 249.807, 217.609], ['A', '1HD ', 222.754, 247.788, 216.345], ['A', '2HD ', 224.024, 247.201, 217.402], ['A', ' HE ', 221.22, 247.338, 217.963], ['A', '1HH1', 224.505, 246.797, 219.319], ['A', '2HH1', 223.853, 245.909, 220.679], ['A', '1HH2', 220.505, 246.227, 219.749], ['A', '2HH2', 221.622, 245.596, 220.935]]
[['A', ' N ', 226.09, 248.789, 214.511], ['A', ' CA ', 226.556, 248.965, 213.183], ['A', ' C ', 225.976, 250.27, 212.725], ['A', ' O ', 224.765, 250.468, 212.789], ['A', ' CB ', 226.021, 247.818, 212.306], ['A', ' CG1', 226.412, 248.028, 210.838], ['A', ' CG2', 226.556, 246.502, 212.842], ['A', ' H ', 225.36, 248.119, 214.699], ['A', ' HA ', 227.646, 249.007, 213.167], ['A', ' HB ', 224.93, 247.812, 212.351], ['A', '1HG1', 226.014, 247.21, 210.234], ['A', '2HG1', 226.005, 248.966, 210.473], ['A', '3HG1', 227.496, 248.045, 210.749], ['A', '1HG2', 226.172, 245.68, 212.234], ['A', '2HG2', 227.643, 246.513, 212.791], ['A', '3HG2', 226.247, 246.359, 213.873]]
[['A', ' N ', 226.826, 251.154, 212.25], ['A', ' CA ', 226.373, 252.45, 211.793], ['A', ' C ', 226.697, 252.643, 210.344], ['A', ' O ', 227.855, 252.554, 209.941], ['A', ' CB ', 227.033, 253.582, 212.613], ['A', ' CG1', 226.597, 254.969, 212.083], ['A', ' CG2', 226.639, 253.431, 214.078], ['A', ' H ', 227.81, 250.923, 212.224], ['A', ' HA ', 225.291, 252.512, 211.916], ['A', ' HB ', 228.116, 253.518, 212.512], ['A', '1HG1', 227.081, 255.746, 212.675], ['A', '2HG1', 226.891, 255.088, 211.042], ['A', '3HG1', 225.517, 255.073, 212.166], ['A', '1HG2', 227.107, 254.22, 214.662], ['A', '2HG2', 225.557, 253.499, 214.17], ['A', '3HG2', 226.967, 252.479, 214.445]]
[['A', ' N ', 225.679, 252.932, 209.562], ['A', ' CA ', 225.903, 253.165, 208.16], ['A', ' C ', 225.484, 254.585, 207.828], ['A', ' O ', 224.317, 254.937, 207.987], ['A', ' CB ', 225.102, 252.139, 207.326], ['A', ' CG1', 225.321, 252.382, 205.808], ['A', ' CG2', 225.528, 250.701, 207.752], ['A', ' H ', 224.751, 252.992, 209.964], ['A', ' HA ', 226.965, 253.054, 207.936], ['A', ' HB ', 224.04, 252.272, 207.518], ['A', '1HG1', 224.739, 251.659, 205.237], ['A', '2HG1', 225.002, 253.392, 205.539], ['A', '3HG1', 226.378, 252.263, 205.57], ['A', '1HG2', 224.963, 249.965, 207.183], ['A', '2HG2', 226.594, 250.567, 207.561], ['A', '3HG2', 225.334, 250.56, 208.809]]
[['A', ' N ', 226.425, 255.399, 207.354], ['A', ' CA ', 226.09, 256.773, 206.997], ['A', ' C ', 226.076, 256.897, 205.492], ['A', ' O ', 227.128, 256.982, 204.854], ['A', ' CB ', 227.09, 257.774, 207.593], ['A', ' CG ', 227.275, 257.762, 209.129], ['A', ' CD1', 228.362, 258.767, 209.502], ['A', ' CD2', 225.956, 258.104, 209.834], ['A', ' H ', 227.369, 255.052, 207.246], ['A', ' HA ', 225.091, 257.009, 207.352], ['A', '1HB ', 228.064, 257.608, 207.138], ['A', '2HB ', 226.757, 258.773, 207.326], ['A', ' HG ', 227.609, 256.778, 209.444], ['A', '1HD1', 228.518, 258.752, 210.583], ['A', '2HD1', 229.294, 258.503, 209.002], ['A', '3HD1', 228.059, 259.769, 209.197], ['A', '1HD2', 226.114, 258.091, 210.913], ['A', '2HD2', 225.623, 259.097, 209.53], ['A', '3HD2', 225.196, 257.372, 209.58]]
[['A', ' N ', 224.882, 256.873, 204.928], ['A', ' CA ', 224.71, 256.902, 203.49], ['A', ' C ', 224.379, 258.299, 203.034], ['A', ' O ', 223.656, 259.022, 203.721], ['A', ' CB ', 223.626, 255.94, 203.075], ['A', ' OG ', 223.383, 256.027, 201.703], ['A', ' H ', 224.062, 256.822, 205.52], ['A', ' HA ', 225.644, 256.601, 203.016], ['A', '1HB ', 223.929, 254.925, 203.333], ['A', '2HB ', 222.716, 256.154, 203.628], ['A', ' HG ', 222.675, 255.398, 201.518]]
[['A', ' N ', 224.934, 258.707, 201.899], ['A', ' CA ', 224.613, 260.016, 201.358], ['A', ' C ', 224.329, 259.938, 199.865], ['A', ' O ', 225.002, 259.204, 199.139], ['A', ' CB ', 225.76, 260.988, 201.632], ['A', ' CG ', 226.035, 261.183, 203.118], ['A', ' CD1', 226.987, 260.403, 203.78], ['A', ' CD2', 225.33, 262.122, 203.849], ['A', ' CE1', 227.22, 260.565, 205.125], ['A', ' CE2', 225.563, 262.283, 205.197], ['A', ' CZ ', 226.509, 261.501, 205.838], ['A', ' H ', 225.541, 258.084, 201.389], ['A', ' HA ', 223.721, 260.393, 201.861], ['A', '1HB ', 226.667, 260.625, 201.155], ['A', '2HB ', 225.523, 261.959, 201.197], ['A', ' HD1', 227.55, 259.651, 203.228], ['A', ' HD2', 224.578, 262.736, 203.349], ['A', ' HE1', 227.965, 259.947, 205.625], ['A', ' HE2', 224.996, 263.022, 205.759], ['A', ' HZ ', 226.686, 261.63, 206.903]]
[['A', ' N ', 223.361, 260.73, 199.414], ['A', ' CA ', 223.02, 260.859, 198.001], ['A', ' C ', 222.76, 262.342, 197.75], ['A', ' O ', 222.36, 263.053, 198.673], ['A', ' CB ', 221.796, 259.996, 197.599], ['A', ' CG ', 221.961, 258.438, 197.784], ['A', ' CD ', 220.82, 257.606, 197.181], ['A', ' OE1', 219.991, 258.181, 196.518], ['A', ' OE2', 220.801, 256.409, 197.383], ['A', ' H ', 222.848, 261.292, 200.081], ['A', ' HA ', 223.87, 260.553, 197.392], ['A', '1HB ', 220.926, 260.305, 198.188], ['A', '2HB ', 221.554, 260.185, 196.553], ['A', '1HG ', 222.906, 258.129, 197.336], ['A', '2HG ', 222.017, 258.218, 198.838]]
[['A', ' N ', 222.992, 262.823, 196.53], ['A', ' CA ', 222.726, 264.231, 196.236], ['A', ' C ', 221.488, 264.444, 195.391], ['A', ' O ', 221.147, 263.622, 194.54], ['A', ' CB ', 223.911, 264.866, 195.51], ['A', ' CG ', 225.279, 264.83, 196.221], ['A', ' CD1', 226.302, 265.452, 195.288], ['A', ' CD2', 225.226, 265.581, 197.56], ['A', ' H ', 223.33, 262.206, 195.804], ['A', ' HA ', 222.561, 264.756, 197.172], ['A', '1HB ', 224.025, 264.364, 194.55], ['A', '2HB ', 223.664, 265.911, 195.303], ['A', ' HG ', 225.569, 263.797, 196.402], ['A', '1HD1', 227.287, 265.422, 195.752], ['A', '2HD1', 226.326, 264.894, 194.351], ['A', '3HD1', 226.03, 266.487, 195.082], ['A', '1HD2', 226.209, 265.545, 198.03], ['A', '2HD2', 224.945, 266.62, 197.39], ['A', '3HD2', 224.503, 265.115, 198.227]]
[['A', ' N ', 220.833, 265.577, 195.617], ['A', ' CA ', 219.68, 265.975, 194.828], ['A', ' C ', 220.03, 267.039, 193.807], ['A', ' O ', 220.543, 268.105, 194.146], ['A', ' CB ', 218.55, 266.503, 195.729], ['A', ' CG ', 217.275, 267.068, 194.996], ['A', ' CD1', 216.549, 265.949, 194.233], ['A', ' CD2', 216.358, 267.707, 196.019], ['A', ' H ', 221.159, 266.193, 196.347], ['A', ' HA ', 219.323, 265.097, 194.296], ['A', '1HB ', 218.225, 265.693, 196.381], ['A', '2HB ', 218.953, 267.301, 196.353], ['A', ' HG ', 217.575, 267.826, 194.279], ['A', '1HD1', 215.675, 266.361, 193.736], ['A', '2HD1', 217.198, 265.51, 193.487], ['A', '3HD1', 216.233, 265.178, 194.933], ['A', '1HD2', 215.482, 268.116, 195.516], ['A', '2HD2', 216.041, 266.961, 196.75], ['A', '3HD2', 216.891, 268.51, 196.529]]
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[['A', ' N ', 216.636, 258.374, 231.72], ['A', ' CA ', 217.643, 258.372, 232.774], ['A', ' C ', 218.172, 259.763, 233.058], ['A', ' O ', 218.638, 260.044, 234.154], ['A', ' CB ', 218.76, 257.416, 232.453], ['A', ' CG ', 218.265, 256.006, 232.347], ['A', ' CD ', 217.737, 255.508, 233.67], ['A', ' OE1', 218.259, 255.915, 234.674], ['A', ' OE2', 216.825, 254.728, 233.675], ['A', ' H ', 216.931, 258.622, 230.794], ['A', ' HA ', 217.159, 258.031, 233.683], ['A', '1HB ', 219.242, 257.698, 231.514], ['A', '2HB ', 219.515, 257.467, 233.243], ['A', '1HG ', 217.468, 255.973, 231.609], ['A', '2HG ', 219.07, 255.36, 232.001]]
[['A', ' N ', 218.05, 260.685, 232.109], ['A', ' CA ', 218.557, 262.003, 232.344], ['A', ' C ', 217.945, 262.553, 233.625], ['A', ' O ', 218.709, 262.889, 234.517], ['A', ' CB ', 218.324, 262.971, 231.146], ['A', ' CG1', 218.653, 264.38, 231.569], ['A', ' CG2', 219.22, 262.651, 229.949], ['A', ' H ', 217.684, 260.421, 231.208], ['A', ' HA ', 219.633, 261.946, 232.507], ['A', ' HB ', 217.307, 262.924, 230.823], ['A', '1HG1', 218.488, 265.061, 230.738], ['A', '2HG1', 218.029, 264.693, 232.402], ['A', '3HG1', 219.704, 264.432, 231.872], ['A', '1HG2', 219.011, 263.372, 229.155], ['A', '2HG2', 220.262, 262.74, 230.254], ['A', '3HG2', 219.042, 261.685, 229.585]]
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[['A', ' N ', 219.673, 260.222, 236.732], ['A', ' CA ', 221.129, 260.279, 236.815], ['A', ' C ', 221.711, 261.696, 236.906], ['A', ' O ', 222.73, 261.897, 237.563], ['A', ' CB ', 221.73, 259.628, 235.583], ['A', ' H ', 219.272, 259.98, 235.832], ['A', ' HA ', 221.434, 259.734, 237.71], ['A', '1HB ', 222.816, 259.638, 235.657], ['A', '2HB ', 221.372, 258.602, 235.507], ['A', '3HB ', 221.417, 260.187, 234.704]]
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[['A', ' N ', 208.559, 267.277, 224.934], ['A', ' CA ', 209.561, 268.064, 224.248], ['A', ' C ', 210.927, 267.386, 224.343], ['A', ' O ', 211.994, 268.021, 224.427], ['A', ' CB ', 209.542, 269.452, 224.829], ['A', ' CG ', 208.228, 270.147, 224.578], ['A', ' OD1', 207.408, 270.302, 225.496], ['A', ' ND2', 208.023, 270.584, 223.364], ['A', ' H ', 208.692, 266.983, 225.909], ['A', ' HA ', 209.307, 268.124, 223.185], ['A', '1HB ', 209.712, 269.391, 225.889], ['A', '2HB ', 210.351, 270.046, 224.383], ['A', '1HD2', 207.169, 271.05, 223.139], ['A', '2HD2', 208.741, 270.442, 222.654]]
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[['A', ' N ', 211.451, 252.918, 192.896], ['A', ' CA ', 210.849, 253.693, 191.822], ['A', ' C ', 211.052, 252.963, 190.516], ['A', ' O ', 210.841, 253.487, 189.422], ['A', ' CB ', 211.401, 255.116, 191.82], ['A', ' CG ', 212.875, 255.204, 191.557], ['A', ' OD1', 213.57, 254.179, 191.536], ['A', ' ND2', 213.376, 256.413, 191.384], ['A', ' H ', 212.455, 252.982, 193.028], ['A', ' HA ', 209.777, 253.766, 191.992], ['A', '1HB ', 210.88, 255.708, 191.068], ['A', '2HB ', 211.204, 255.566, 192.788], ['A', '1HD2', 214.353, 256.531, 191.219], ['A', '2HD2', 212.774, 257.21, 191.419]]
[['A', ' N ', 211.388, 251.679, 190.657], ['A', ' CA ', 211.671, 250.731, 189.603], ['A', ' C ', 210.43, 250.203, 188.924], ['A', ' O ', 210.214, 248.987, 188.928], ['A', ' CB ', 212.372, 249.53, 190.171], ['A', ' OG ', 211.537, 248.877, 191.081], ['A', ' H ', 211.501, 251.336, 191.595], ['A', ' HA ', 212.3, 251.216, 188.854], ['A', '1HB ', 212.669, 248.852, 189.373], ['A', '2HB ', 213.27, 249.857, 190.686], ['A', ' HG ', 210.885, 248.399, 190.515]]
[['A', ' N ', 209.649, 251.12, 188.372], ['A', ' CA ', 208.442, 250.834, 187.629], ['A', ' C ', 207.382, 250.146, 188.439], ['A', ' O ', 207.546, 249.011, 188.873], ['A', ' CB ', 208.8, 249.971, 186.386], ['A', ' CG1', 207.553, 249.569, 185.603], ['A', ' CG2', 209.763, 250.768, 185.487], ['A', ' H ', 209.963, 252.088, 188.483], ['A', ' HA ', 208.033, 251.783, 187.281], ['A', ' HB ', 209.276, 249.048, 186.702], ['A', '1HG1', 207.852, 248.969, 184.745], ['A', '2HG1', 206.902, 248.983, 186.221], ['A', '3HG1', 207.032, 250.457, 185.259], ['A', '1HG2', 210.036, 250.169, 184.616], ['A', '2HG2', 209.277, 251.684, 185.157], ['A', '3HG2', 210.666, 251.02, 186.041]]
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[['A', ' N ', 236.787, 229.094, 204.222], ['A', ' CA ', 236.282, 228.551, 205.471], ['A', ' C ', 237.292, 227.626, 206.101], ['A', ' O ', 237.345, 227.431, 207.322], ['A', ' CB ', 234.979, 227.835, 205.207], ['A', ' CG ', 235.163, 226.824, 204.155], ['A', ' OD1', 235.541, 227.248, 203.074], ['A', ' OD2', 234.945, 225.663, 204.379], ['A', ' H ', 236.359, 228.781, 203.34], ['A', ' HA ', 236.085, 229.373, 206.145], ['A', '1HB ', 234.629, 227.35, 206.121], ['A', '2HB ', 234.222, 228.551, 204.894]]
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[['A', ' N ', 239.769, 228.033, 211.671], ['A', ' CA ', 240.937, 227.99, 212.538], ['A', ' C ', 241.045, 229.33, 213.257], ['A', ' O ', 241.418, 229.394, 214.433], ['A', ' CB ', 242.199, 227.647, 211.735], ['A', ' CG ', 243.493, 227.265, 212.559], ['A', ' CD ', 243.348, 225.946, 213.383], ['A', ' OE1', 242.629, 225.013, 213.0], ['A', ' NE2', 244.055, 225.875, 214.492], ['A', ' H ', 239.875, 228.073, 210.664], ['A', ' HA ', 240.788, 227.213, 213.286], ['A', '1HB ', 241.974, 226.804, 211.078], ['A', '2HB ', 242.448, 228.49, 211.093], ['A', '1HG ', 244.323, 227.14, 211.865], ['A', '2HG ', 243.705, 228.071, 213.256], ['A', '1HE2', 244.011, 225.051, 215.061], ['A', '2HE2', 244.637, 226.638, 214.768]]
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[['A', ' N ', 238.558, 231.235, 214.222], ['A', ' CA ', 237.648, 231.259, 215.344], ['A', ' C ', 238.282, 230.538, 216.523], ['A', ' O ', 238.273, 231.06, 217.643], ['A', ' CB ', 236.295, 230.631, 214.999], ['A', ' OG1', 235.688, 231.372, 213.932], ['A', ' CG2', 235.392, 230.691, 216.217], ['A', ' H ', 238.269, 230.881, 213.305], ['A', ' HA ', 237.478, 232.296, 215.632], ['A', ' HB ', 236.436, 229.595, 214.687], ['A', ' HG1', 236.197, 231.231, 213.123], ['A', '1HG2', 234.424, 230.258, 215.976], ['A', '2HG2', 235.836, 230.14, 217.022], ['A', '3HG2', 235.259, 231.73, 216.517]]
[['A', ' N ', 238.922, 229.39, 216.292], ['A', ' CA ', 239.551, 228.688, 217.404], ['A', ' C ', 240.613, 229.535, 218.072], ['A', ' O ', 240.859, 229.386, 219.268], ['A', ' CB ', 240.165, 227.387, 216.958], ['A', ' OG ', 239.176, 226.469, 216.57], ['A', ' H ', 238.907, 228.964, 215.355], ['A', ' HA ', 238.779, 228.463, 218.14], ['A', '1HB ', 240.828, 227.575, 216.118], ['A', '2HB ', 240.764, 226.968, 217.763], ['A', ' HG ', 239.642, 225.668, 216.323]]
[['A', ' N ', 241.26, 230.42, 217.323], ['A', ' CA ', 242.237, 231.322, 217.912], ['A', ' C ', 241.594, 232.266, 218.923], ['A', ' O ', 242.244, 232.688, 219.879], ['A', ' CB ', 242.932, 232.149, 216.858], ['A', ' H ', 241.09, 230.449, 216.309], ['A', ' HA ', 242.973, 230.71, 218.433], ['A', '1HB ', 243.672, 232.781, 217.342], ['A', '2HB ', 243.415, 231.488, 216.142], ['A', '3HB ', 242.22, 232.772, 216.349]]
[['A', ' N ', 240.341, 232.647, 218.699], ['A', ' CA ', 239.679, 233.58, 219.598], ['A', ' C ', 239.022, 232.891, 220.771], ['A', ' O ', 238.951, 233.42, 221.89], ['A', ' CB ', 238.653, 234.378, 218.828], ['A', ' CG ', 239.181, 235.659, 218.18], ['A', ' CD1', 240.342, 235.361, 217.218], ['A', ' CD2', 238.072, 236.312, 217.434], ['A', ' H ', 239.844, 232.298, 217.868], ['A', ' HA ', 240.428, 234.265, 219.988], ['A', '1HB ', 238.25, 233.744, 218.033], ['A', '2HB ', 237.843, 234.646, 219.503], ['A', ' HG ', 239.544, 236.334, 218.955], ['A', '1HD1', 240.68, 236.296, 216.78], ['A', '2HD1', 241.168, 234.915, 217.741], ['A', '3HD1', 240.002, 234.691, 216.427], ['A', '1HD2', 238.455, 237.231, 216.992], ['A', '2HD2', 237.707, 235.656, 216.645], ['A', '3HD2', 237.259, 236.543, 218.123]]
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[['A', ' N ', 240.213, 230.715, 222.449], ['A', ' CA ', 241.321, 230.342, 223.288], ['A', ' C ', 241.289, 231.001, 224.666], ['A', ' O ', 242.047, 230.605, 225.547], ['A', ' CB ', 242.61, 230.706, 222.598], ['A', ' H ', 240.424, 231.241, 221.607], ['A', ' HA ', 241.283, 229.263, 223.431], ['A', '1HB ', 243.453, 230.386, 223.208], ['A', '2HB ', 242.647, 230.206, 221.625], ['A', '3HB ', 242.656, 231.784, 222.447]]
[['A', ' N ', 240.456, 232.016, 224.869], ['A', ' CA ', 240.45, 232.722, 226.159], ['A', ' C ', 240.208, 231.933, 227.493], ['A', ' O ', 240.749, 232.343, 228.525], ['A', ' H ', 239.858, 232.327, 224.091], ['A', '1HA ', 241.4, 233.246, 226.25], ['A', '2HA ', 239.698, 233.508, 226.097]]
[['A', ' N ', 239.396, 230.864, 227.522], ['A', ' CA ', 239.12, 230.152, 228.799], ['A', ' C ', 239.198, 228.601, 228.788], ['A', ' O ', 239.357, 227.987, 227.737], ['A', ' CB ', 237.759, 230.583, 229.37], ['A', ' OG1', 236.718, 230.201, 228.461], ['A', ' CG2', 237.718, 232.092, 229.597], ['A', ' H ', 238.968, 230.538, 226.664], ['A', ' HA ', 239.872, 230.481, 229.516], ['A', ' HB ', 237.599, 230.078, 230.328], ['A', ' HG1', 236.622, 229.245, 228.464], ['A', '1HG2', 236.753, 232.366, 230.013], ['A', '2HG2', 238.509, 232.374, 230.292], ['A', '3HG2', 237.856, 232.615, 228.663]]
[['A', ' N ', 239.082, 227.954, 229.993], ['A', ' CA ', 239.017, 226.764, 230.916], ['A', ' C ', 237.6, 226.438, 231.514], ['A', ' O ', 237.012, 227.297, 232.175], ['A', ' CB ', 239.966, 226.991, 232.137], ['A', ' CG1', 241.397, 227.186, 231.664], ['A', ' CG2', 239.882, 225.797, 233.12], ['A', ' CD1', 242.338, 227.683, 232.737], ['A', ' H ', 239.181, 227.192, 229.339], ['A', ' HA ', 239.355, 225.892, 230.356], ['A', ' HB ', 239.667, 227.9, 232.656], ['A', '1HG1', 241.776, 226.243, 231.276], ['A', '2HG1', 241.401, 227.92, 230.858], ['A', '1HG2', 240.52, 225.961, 233.974], ['A', '2HG2', 238.865, 225.677, 233.486], ['A', '3HG2', 240.191, 224.883, 232.614], ['A', '1HD1', 243.329, 227.808, 232.303], ['A', '2HD1', 241.983, 228.644, 233.113], ['A', '3HD1', 242.406, 226.983, 233.556]]
[['A', ' N ', 237.077, 225.193, 231.313], ['A', ' CA ', 235.746, 224.767, 231.843], ['A', ' C ', 235.669, 223.324, 232.47], ['A', ' O ', 235.461, 222.369, 231.71], ['A', ' CB ', 234.672, 224.768, 230.733], ['A', ' OG1', 235.096, 223.901, 229.693], ['A', ' CG2', 234.459, 226.143, 230.171], ['A', ' H ', 237.6, 224.527, 230.762], ['A', ' HA ', 235.455, 225.478, 232.615], ['A', ' HB ', 233.733, 224.401, 231.145], ['A', ' HG1', 235.118, 222.984, 230.058], ['A', '1HG2', 233.698, 226.102, 229.395], ['A', '2HG2', 234.134, 226.812, 230.967], ['A', '3HG2', 235.384, 226.516, 229.744]]
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[['A', ' N ', 241.79, 244.899, 246.757], ['A', ' CA ', 241.389, 245.972, 245.861], ['A', ' C ', 242.414, 246.132, 244.753], ['A', ' O ', 242.063, 246.257, 243.571], ['A', ' CB ', 241.239, 247.274, 246.619], ['A', ' OG ', 240.851, 248.318, 245.769], ['A', ' H ', 241.951, 245.097, 247.754], ['A', ' HA ', 240.43, 245.713, 245.413], ['A', '1HB ', 240.501, 247.146, 247.41], ['A', '2HB ', 242.189, 247.522, 247.099], ['A', ' HG ', 240.791, 249.098, 246.324]]
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[['A', ' N ', 244.539, 243.893, 243.576], ['A', ' CA ', 244.547, 242.765, 242.669], ['A', ' C ', 243.391, 242.857, 241.728], ['A', ' O ', 243.515, 242.494, 240.546], ['A', ' CB ', 244.485, 241.465, 243.421], ['A', ' CG ', 245.717, 241.144, 244.16], ['A', ' CD ', 245.533, 239.936, 244.978], ['A', ' OE1', 244.42, 239.409, 245.044], ['A', ' NE2', 246.593, 239.476, 245.623], ['A', ' H ', 244.421, 243.74, 244.58], ['A', ' HA ', 245.469, 242.796, 242.089], ['A', '1HB ', 243.675, 241.527, 244.157], ['A', '2HB ', 244.253, 240.646, 242.743], ['A', '1HG ', 246.512, 240.952, 243.442], ['A', '2HG ', 245.99, 241.971, 244.807], ['A', '1HE2', 246.514, 238.659, 246.194], ['A', '2HE2', 247.475, 239.943, 245.541]]
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[['A', ' N ', 244.241, 245.377, 238.932], ['A', ' CA ', 245.152, 244.868, 237.937], ['A', ' C ', 244.488, 243.833, 237.087], ['A', ' O ', 244.698, 243.804, 235.881], ['A', ' CB ', 246.424, 244.313, 238.559], ['A', ' CG1', 247.278, 243.634, 237.49], ['A', ' CG2', 247.177, 245.436, 239.19], ['A', ' H ', 244.427, 245.26, 239.933], ['A', ' HA ', 245.439, 245.703, 237.29], ['A', ' HB ', 246.166, 243.566, 239.317], ['A', '1HG1', 248.186, 243.25, 237.948], ['A', '2HG1', 246.744, 242.805, 237.029], ['A', '3HG1', 247.54, 244.362, 236.717], ['A', '1HG2', 248.088, 245.053, 239.646], ['A', '2HG2', 247.429, 246.177, 238.435], ['A', '3HG2', 246.562, 245.903, 239.961]]
[['A', ' N ', 243.724, 242.949, 237.7], ['A', ' CA ', 243.088, 241.917, 236.927], ['A', ' C ', 242.194, 242.528, 235.882], ['A', ' O ', 242.214, 242.107, 234.723], ['A', ' CB ', 242.271, 240.99, 237.824], ['A', ' OG1', 243.141, 240.366, 238.772], ['A', ' CG2', 241.603, 239.927, 236.984], ['A', ' H ', 243.589, 242.971, 238.71], ['A', ' HA ', 243.859, 241.336, 236.424], ['A', ' HB ', 241.517, 241.567, 238.361], ['A', ' HG1', 243.432, 241.042, 239.427], ['A', '1HG2', 241.033, 239.265, 237.632], ['A', '2HG2', 240.929, 240.382, 236.263], ['A', '3HG2', 242.361, 239.352, 236.455]]
[['A', ' N ', 241.415, 243.533, 236.255], ['A', ' CA ', 240.53, 244.104, 235.276], ['A', ' C ', 241.267, 244.839, 234.192], ['A', ' O ', 240.846, 244.795, 233.035], ['A', ' CB ', 239.537, 245.017, 235.944], ['A', ' CG ', 238.613, 244.276, 236.834], ['A', ' CD ', 237.856, 243.25, 236.097], ['A', ' OE1', 237.261, 243.531, 235.059], ['A', ' NE2', 237.876, 242.029, 236.607], ['A', ' H ', 241.405, 243.849, 237.232], ['A', ' HA ', 239.989, 243.292, 234.794], ['A', '1HB ', 240.074, 245.75, 236.552], ['A', '2HB ', 238.957, 245.557, 235.198], ['A', '1HG ', 239.181, 243.771, 237.603], ['A', '2HG ', 237.913, 244.975, 237.284], ['A', '1HE2', 237.38, 241.284, 236.154], ['A', '2HE2', 238.393, 241.851, 237.442]]
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[['A', ' N ', 229.562, 247.924, 180.218], ['A', ' CA ', 229.795, 248.786, 181.379], ['A', ' C ', 230.748, 249.934, 181.178], ['A', ' O ', 230.91, 250.771, 182.062], ['A', ' CB ', 230.324, 247.943, 182.496], ['A', ' CG ', 231.601, 247.358, 182.08], ['A', ' OD1', 231.785, 247.119, 180.871], ['A', ' ND2', 232.477, 247.103, 183.004], ['A', ' H ', 230.329, 247.372, 179.843], ['A', ' HA ', 228.842, 249.219, 181.679], ['A', '1HB ', 230.463, 248.543, 183.401], ['A', '2HB ', 229.618, 247.145, 182.725], ['A', '1HD2', 233.358, 246.696, 182.763], ['A', '2HD2', 232.27, 247.312, 183.956]]
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[['A', ' N ', 227.874, 279.222, 254.631], ['A', ' CA ', 228.099, 278.613, 253.321], ['A', ' C ', 227.665, 279.531, 252.205], ['A', ' O ', 226.569, 280.095, 252.249], ['A', ' CB ', 227.349, 277.304, 253.179], ['A', ' CG ', 227.556, 276.726, 251.859], ['A', ' CD1', 228.706, 276.048, 251.577], ['A', ' CD2', 226.622, 276.878, 250.882], ['A', ' CE1', 228.925, 275.535, 250.338], ['A', ' CE2', 226.833, 276.365, 249.642], ['A', ' CZ ', 227.991, 275.692, 249.37], ['A', ' H ', 226.999, 278.917, 255.029], ['A', ' HA ', 229.167, 278.424, 253.208], ['A', '1HB ', 227.691, 276.593, 253.933], ['A', '2HB ', 226.283, 277.466, 253.326], ['A', ' HD1', 229.461, 275.926, 252.355], ['A', ' HD2', 225.703, 277.428, 251.097], ['A', ' HE1', 229.85, 275.001, 250.122], ['A', ' HE2', 226.084, 276.496, 248.861], ['A', ' HZ ', 228.163, 275.287, 248.376]]
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[['A', ' N ', 229.157, 281.274, 244.765], ['A', ' CA ', 229.515, 282.543, 244.164], ['A', ' C ', 228.789, 282.792, 242.856], ['A', ' O ', 229.183, 282.319, 241.792], ['A', ' CB ', 231.042, 282.632, 243.949], ['A', ' CG1', 231.418, 283.962, 243.317], ['A', ' CG2', 231.742, 282.483, 245.291], ['A', ' H ', 229.645, 280.413, 244.554], ['A', ' HA ', 229.244, 283.338, 244.858], ['A', ' HB ', 231.358, 281.841, 243.272], ['A', '1HG1', 232.493, 284.0, 243.172], ['A', '2HG1', 230.935, 284.075, 242.35], ['A', '3HG1', 231.113, 284.767, 243.975], ['A', '1HG2', 232.82, 282.538, 245.149], ['A', '2HG2', 231.421, 283.285, 245.958], ['A', '3HG2', 231.487, 281.524, 245.739]]
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[['A', ' N ', 231.947, 258.308, 243.39], ['A', ' CA ', 231.541, 258.493, 241.989], ['A', ' C ', 232.014, 259.855, 241.461], ['A', ' O ', 232.108, 260.813, 242.231], ['A', ' CB ', 230.033, 258.38, 241.85], ['A', ' H ', 231.25, 258.333, 244.12], ['A', ' HA ', 232.013, 257.713, 241.391], ['A', '1HB ', 229.759, 258.5, 240.802], ['A', '2HB ', 229.707, 257.402, 242.203], ['A', '3HB ', 229.552, 259.158, 242.44]]
[['A', ' N ', 232.31, 259.935, 240.154], ['A', ' CA ', 232.739, 261.189, 239.517], ['A', ' C ', 231.644, 261.874, 238.689], ['A', ' O ', 230.451, 261.681, 238.925], ['A', ' H ', 232.228, 259.106, 239.586], ['A', '1HA ', 233.091, 261.876, 240.287], ['A', '2HA ', 233.595, 260.983, 238.876]]
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[['A', ' N ', 230.906, 264.025, 234.516], ['A', ' CA ', 231.341, 264.43, 233.194], ['A', ' C ', 231.781, 265.874, 233.159], ['A', ' O ', 231.336, 266.695, 233.962], ['A', ' CB ', 230.221, 264.255, 232.198], ['A', ' H ', 229.916, 263.951, 234.694], ['A', ' HA ', 232.188, 263.81, 232.906], ['A', '1HB ', 230.577, 264.555, 231.211], ['A', '2HB ', 229.903, 263.214, 232.173], ['A', '3HB ', 229.39, 264.883, 232.489]]
[['A', ' N ', 232.687, 266.177, 232.243], ['A', ' CA ', 233.047, 267.556, 231.977], ['A', ' C ', 232.06, 268.064, 230.942], ['A', ' O ', 231.655, 267.286, 230.077], ['A', ' CB ', 234.479, 267.658, 231.487], ['A', ' H ', 233.085, 265.442, 231.675], ['A', ' HA ', 232.925, 268.134, 232.89], ['A', '1HB ', 234.716, 268.693, 231.297], ['A', '2HB ', 235.144, 267.266, 232.256], ['A', '3HB ', 234.598, 267.083, 230.573]]
[['A', ' N ', 231.692, 269.345, 230.966], ['A', ' CA ', 230.753, 269.803, 229.942], ['A', ' C ', 231.215, 270.94, 229.013], ['A', ' O ', 231.301, 272.094, 229.44], ['A', ' CB ', 229.462, 270.207, 230.625], ['A', ' CG ', 228.759, 269.071, 231.322], ['A', ' CD1', 229.048, 268.777, 232.624], ['A', ' CD2', 227.812, 268.34, 230.65], ['A', ' CE1', 228.385, 267.771, 233.255], ['A', ' CE2', 227.15, 267.331, 231.282], ['A', ' CZ ', 227.429, 267.051, 232.581], ['A', ' OH ', 226.745, 266.054, 233.227], ['A', ' H ', 232.036, 269.976, 231.676], ['A', ' HA ', 230.529, 268.959, 229.296], ['A', '1HB ', 229.663, 270.987, 231.359], ['A', '2HB ', 228.78, 270.625, 229.884], ['A', ' HD1', 229.8, 269.35, 233.16], ['A', ' HD2', 227.584, 268.576, 229.61], ['A', ' HE1', 228.615, 267.543, 234.297], ['A', ' HE2', 226.392, 266.76, 230.747], ['A', ' HH ', 226.105, 265.662, 232.626]]
[['A', ' N ', 231.484, 270.605, 227.725], ['A', ' CA ', 231.895, 271.6, 226.714], ['A', ' C ', 231.2, 271.374, 225.358], ['A', ' O ', 231.242, 270.262, 224.824], ['A', ' CB ', 233.417, 271.576, 226.501], ['A', ' CG ', 234.218, 271.907, 227.737], ['A', ' CD1', 234.667, 270.897, 228.584], ['A', ' CD2', 234.482, 273.221, 228.034], ['A', ' CE1', 235.375, 271.221, 229.707], ['A', ' CE2', 235.187, 273.538, 229.16], ['A', ' CZ ', 235.631, 272.546, 229.993], ['A', ' OH ', 236.336, 272.87, 231.127], ['A', ' H ', 231.391, 269.636, 227.452], ['A', ' HA ', 231.607, 272.59, 227.068], ['A', '1HB ', 233.72, 270.589, 226.153], ['A', '2HB ', 233.684, 272.291, 225.724], ['A', ' HD1', 234.455, 269.851, 228.355], ['A', ' HD2', 234.125, 274.011, 227.375], ['A', ' HE1', 235.733, 270.447, 230.371], ['A', ' HE2', 235.393, 274.582, 229.396], ['A', ' HH ', 236.429, 273.825, 231.183]]
[['A', ' N ', 230.579, 272.437, 224.812], ['A', ' CA ', 229.929, 272.43, 223.491], ['A', ' C ', 229.684, 273.874, 223.018], ['A', ' O ', 229.445, 274.751, 223.843], ['A', ' CB ', 228.614, 271.62, 223.539], ['A', ' CG1', 227.609, 272.31, 224.437], ['A', ' CG2', 228.04, 271.407, 222.12], ['A', ' H ', 230.582, 273.304, 225.335], ['A', ' HA ', 230.597, 271.943, 222.781], ['A', ' HB ', 228.825, 270.649, 223.98], ['A', '1HG1', 226.705, 271.708, 224.488], ['A', '2HG1', 228.028, 272.42, 225.436], ['A', '3HG1', 227.354, 273.299, 224.044], ['A', '1HG2', 227.138, 270.809, 222.187], ['A', '2HG2', 227.794, 272.343, 221.657], ['A', '3HG2', 228.776, 270.884, 221.514]]
[['A', ' N ', 229.727, 274.115, 221.716], ['A', ' CA ', 229.396, 275.433, 221.171], ['A', ' C ', 228.051, 275.392, 220.508], ['A', ' O ', 227.235, 274.521, 220.803], ['A', ' H ', 229.98, 273.36, 221.094], ['A', '1HA ', 229.405, 276.184, 221.96], ['A', '2HA ', 230.132, 275.726, 220.429]]
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[['A', ' N ', 226.006, 275.51, 216.616], ['A', ' CA ', 226.278, 275.195, 215.204], ['A', ' C ', 225.65, 276.076, 214.123], ['A', ' O ', 224.459, 276.402, 214.15], ['A', ' CB ', 225.893, 273.718, 214.979], ['A', ' CG ', 226.154, 273.07, 213.583], ['A', ' CD1', 226.492, 271.597, 213.812], ['A', ' CD2', 224.891, 273.164, 212.687], ['A', ' H ', 225.162, 275.159, 217.048], ['A', ' HA ', 227.349, 275.26, 215.069], ['A', '1HB ', 226.439, 273.134, 215.699], ['A', '2HB ', 224.834, 273.605, 215.199], ['A', ' HG ', 227.0, 273.558, 213.095], ['A', '1HD1', 226.678, 271.1, 212.876], ['A', '2HD1', 227.381, 271.525, 214.434], ['A', '3HD1', 225.658, 271.11, 214.314], ['A', '1HD2', 225.084, 272.689, 211.727], ['A', '2HD2', 224.058, 272.653, 213.176], ['A', '3HD2', 224.621, 274.181, 212.52]]
[['A', ' N ', 226.501, 276.39, 213.138], ['A', ' CA ', 226.221, 277.155, 211.922], ['A', ' C ', 226.727, 276.427, 210.652], ['A', ' O ', 227.944, 276.299, 210.476], ['A', ' CB ', 226.897, 278.527, 212.009], ['A', ' CG ', 226.843, 279.386, 210.719], ['A', ' CD ', 225.463, 279.826, 210.296], ['A', ' OE1', 224.76, 280.538, 211.022], ['A', ' NE2', 225.064, 279.407, 209.094], ['A', ' H ', 227.461, 276.056, 213.273], ['A', ' HA ', 225.153, 277.335, 211.876], ['A', '1HB ', 226.431, 279.102, 212.809], ['A', '2HB ', 227.946, 278.39, 212.277], ['A', '1HG ', 227.43, 280.286, 210.897], ['A', '2HG ', 227.281, 278.833, 209.887], ['A', '1HE2', 224.162, 279.67, 208.74], ['A', '2HE2', 225.676, 278.799, 208.523]]
[['A', ' N ', 225.848, 275.954, 209.741], ['A', ' CA ', 226.204, 275.29, 208.489], ['A', ' C ', 227.055, 276.21, 207.603], ['A', ' O ', 226.814, 277.426, 207.562], ['A', ' CB ', 224.833, 275.01, 207.857], ['A', ' CG ', 223.87, 274.97, 209.026], ['A', ' CD ', 224.392, 276.012, 209.99], ['A', ' HA ', 226.732, 274.358, 208.701], ['A', '1HB ', 224.59, 275.799, 207.13], ['A', '2HB ', 224.874, 274.063, 207.296], ['A', '1HG ', 222.844, 275.182, 208.689], ['A', '2HG ', 223.857, 273.962, 209.474], ['A', '1HD ', 223.99, 277.0, 209.752], ['A', '2HD ', 224.133, 275.693, 210.997]]
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[['A', ' N ', 206.683, 333.746, 213.455], ['A', ' CA ', 205.793, 332.587, 213.296], ['A', ' C ', 204.312, 332.835, 213.621], ['A', ' O ', 203.905, 333.962, 213.952], ['A', ' CB ', 206.28, 331.443, 214.176], ['A', ' CG ', 206.391, 331.822, 215.638], ['A', ' OD1', 206.132, 332.969, 215.962], ['A', ' OD2', 206.72, 330.955, 216.412], ['A', ' H ', 206.784, 333.943, 214.463], ['A', ' HA ', 205.863, 332.269, 212.268], ['A', '1HB ', 205.563, 330.623, 214.119], ['A', '2HB ', 207.228, 331.081, 213.848]]
[['A', ' N ', 203.496, 331.767, 213.474], ['A', ' CA ', 202.074, 331.738, 213.841], ['A', ' C ', 201.863, 330.345, 214.427], ['A', ' O ', 202.839, 329.624, 214.324], ['A', ' CB ', 201.121, 331.91, 212.622], ['A', ' CG1', 201.376, 333.271, 211.878], ['A', ' CG2', 199.627, 331.804, 213.087], ['A', ' CD1', 200.626, 333.384, 210.549], ['A', ' H ', 203.899, 330.898, 213.15], ['A', ' HA ', 201.872, 332.489, 214.614], ['A', ' HB ', 201.338, 331.137, 211.895], ['A', '1HG1', 201.072, 334.085, 212.518], ['A', '2HG1', 202.434, 333.368, 211.662], ['A', '1HG2', 198.969, 331.91, 212.243], ['A', '2HG2', 199.45, 330.854, 213.538], ['A', '3HG2', 199.42, 332.604, 213.799], ['A', '1HD1', 200.84, 334.33, 210.091], ['A', '2HD1', 200.93, 332.568, 209.886], ['A', '3HD1', 199.558, 333.306, 210.715]]
[['A', ' N ', 201.173, 330.354, 215.586], ['A', ' CA ', 200.388, 329.152, 215.887], ['A', ' C ', 199.329, 329.332, 216.949], ['A', ' O ', 199.564, 330.086, 217.903], ['A', ' CB ', 201.319, 328.052, 216.357], ['A', ' OG ', 200.586, 326.932, 216.745], ['A', ' H ', 201.739, 330.609, 216.371], ['A', ' HA ', 199.916, 328.809, 214.978], ['A', '1HB ', 201.997, 327.778, 215.569], ['A', '2HB ', 201.924, 328.381, 217.198], ['A', ' HG ', 201.259, 326.251, 216.964]]
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[['A', ' N ', 196.333, 327.842, 219.709], ['A', ' CA ', 195.066, 327.579, 220.403], ['A', ' C ', 195.479, 327.542, 221.894], ['A', ' O ', 196.564, 328.091, 222.114], ['A', ' CB ', 194.414, 326.27, 219.919], ['A', ' CG ', 192.915, 326.075, 220.386], ['A', ' CD ', 192.246, 324.844, 219.807], ['A', ' OE1', 192.863, 324.156, 219.023], ['A', ' OE2', 191.11, 324.601, 220.137], ['A', ' H ', 197.049, 327.243, 220.096], ['A', ' HA ', 194.385, 328.402, 220.246], ['A', '1HB ', 194.409, 326.22, 218.843], ['A', '2HB ', 194.993, 325.414, 220.286], ['A', '1HG ', 192.849, 326.001, 221.458], ['A', '2HG ', 192.36, 326.948, 220.076]]
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[['A', ' N ', 192.157, 314.719, 236.958], ['A', ' CA ', 192.136, 313.48, 237.772], ['A', ' C ', 192.82, 312.248, 237.163], ['A', ' O ', 192.118, 311.344, 236.692], ['A', ' CB ', 190.691, 313.042, 238.048], ['A', ' OG1', 190.039, 312.831, 236.807], ['A', ' CG2', 189.942, 314.127, 238.834], ['A', ' H ', 191.8, 314.751, 236.0], ['A', ' HA ', 192.602, 313.69, 238.73], ['A', ' HB ', 190.691, 312.113, 238.62], ['A', ' HG1', 190.476, 312.057, 236.372], ['A', '1HG2', 188.92, 313.797, 239.006], ['A', '2HG2', 190.434, 314.315, 239.791], ['A', '3HG2', 189.924, 315.044, 238.262]]
[['A', ' N ', 194.159, 312.215, 237.076], ['A', ' CA ', 194.982, 311.121, 236.565], ['A', ' C ', 195.143, 309.963, 237.563], ['A', ' O ', 194.892, 310.139, 238.752], ['A', ' CB ', 196.312, 311.825, 236.291], ['A', ' CG ', 196.389, 312.931, 237.327], ['A', ' CD ', 194.955, 313.406, 237.495], ['A', ' HA ', 194.53, 310.757, 235.634], ['A', '1HB ', 197.139, 311.109, 236.355], ['A', '2HB ', 196.308, 312.209, 235.259], ['A', '1HG ', 196.83, 312.564, 238.263], ['A', '2HG ', 197.045, 313.742, 236.966], ['A', '1HD ', 194.784, 313.678, 238.546], ['A', '2HD ', 194.78, 314.248, 236.814]]
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[['A', ' N ', 195.046, 306.314, 239.628], ['A', ' CA ', 194.139, 305.372, 240.326], ['A', ' C ', 194.547, 303.908, 239.993], ['A', ' O ', 195.316, 303.673, 239.058], ['A', ' CB ', 192.666, 305.658, 239.988], ['A', ' CG ', 191.621, 305.002, 240.944], ['A', ' OD1', 191.929, 304.112, 241.756], ['A', ' ND2', 190.388, 305.442, 240.838], ['A', ' H ', 195.838, 306.628, 240.161], ['A', ' HA ', 194.268, 305.499, 241.402], ['A', '1HB ', 192.5, 306.736, 239.961], ['A', '2HB ', 192.451, 305.267, 238.999], ['A', '1HD2', 189.67, 305.057, 241.42], ['A', '2HD2', 190.164, 306.159, 240.176]]
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[['A', ' N ', 195.515, 296.687, 243.682], ['A', ' CA ', 195.21, 295.24, 243.908], ['A', ' C ', 195.029, 294.362, 242.659], ['A', ' O ', 194.78, 294.859, 241.56], ['A', ' CB ', 193.964, 295.036, 244.796], ['A', ' CG ', 194.076, 295.576, 246.213], ['A', ' CD ', 195.159, 294.918, 247.002], ['A', ' OE1', 195.505, 293.802, 246.692], ['A', ' OE2', 195.66, 295.535, 247.908], ['A', ' H ', 196.494, 296.934, 243.682], ['A', ' HA ', 196.056, 294.823, 244.456], ['A', '1HB ', 193.076, 295.435, 244.333], ['A', '2HB ', 193.785, 293.968, 244.896], ['A', '1HG ', 194.244, 296.637, 246.189], ['A', '2HG ', 193.127, 295.405, 246.717]]
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[['A', ' N ', 196.949, 287.047, 242.936], ['A', ' CA ', 196.561, 285.809, 243.628], ['A', ' C ', 197.436, 284.638, 243.149], ['A', ' O ', 197.904, 284.657, 242.01], ['A', ' CB ', 195.105, 285.483, 243.364], ['A', ' CG ', 194.15, 286.48, 243.936], ['A', ' OD1', 193.904, 286.501, 245.147], ['A', ' ND2', 193.593, 287.308, 243.088], ['A', ' H ', 197.182, 286.971, 241.955], ['A', ' HA ', 196.729, 285.936, 244.7], ['A', '1HB ', 194.942, 285.421, 242.289], ['A', '2HB ', 194.879, 284.509, 243.782], ['A', '1HD2', 192.945, 287.992, 243.417], ['A', '2HD2', 193.818, 287.252, 242.118]]
[['A', ' N ', 197.628, 283.607, 243.995], ['A', ' CA ', 198.387, 282.404, 243.594], ['A', ' C ', 198.148, 281.158, 244.465], ['A', ' O ', 198.257, 281.224, 245.691], ['A', ' CB ', 199.882, 282.696, 243.601], ['A', ' SG ', 200.901, 281.307, 243.064], ['A', ' H ', 197.229, 283.651, 244.923], ['A', ' HA ', 198.095, 282.161, 242.574], ['A', '1HB ', 200.071, 283.511, 242.926], ['A', '2HB ', 200.198, 282.997, 244.598], ['A', ' HG ', 200.452, 280.442, 243.978]]
[['A', ' N ', 197.866, 280.02, 243.81], ['A', ' CA ', 197.608, 278.727, 244.47], ['A', ' C ', 198.349, 277.586, 243.73], ['A', ' O ', 198.602, 277.719, 242.531], ['A', ' CB ', 196.097, 278.467, 244.474], ['A', ' CG ', 195.292, 279.592, 245.136], ['A', ' CD1', 194.836, 280.663, 244.36], ['A', ' CD2', 195.023, 279.569, 246.491], ['A', ' CE1', 194.124, 281.692, 244.938], ['A', ' CE2', 194.307, 280.603, 247.068], ['A', ' CZ ', 193.862, 281.66, 246.296], ['A', ' OH ', 193.147, 282.683, 246.875], ['A', ' H ', 197.815, 280.057, 242.801], ['A', ' HA ', 197.98, 278.769, 245.493], ['A', '1HB ', 195.743, 278.346, 243.45], ['A', '2HB ', 195.892, 277.539, 245.004], ['A', ' HD1', 195.044, 280.687, 243.293], ['A', ' HD2', 195.376, 278.742, 247.105], ['A', ' HE1', 193.769, 282.523, 244.332], ['A', ' HE2', 194.095, 280.584, 248.136], ['A', ' HH ', 192.988, 282.484, 247.801]]
[['A', ' N ', 198.681, 276.463, 244.41], ['A', ' CA ', 199.327, 275.34, 243.69], ['A', ' C ', 199.096, 273.892, 244.265], ['A', ' O ', 199.379, 273.656, 245.438], ['A', ' CB ', 200.829, 275.594, 243.638], ['A', ' CG ', 201.583, 274.526, 242.934], ['A', ' CD1', 201.539, 274.422, 241.556], ['A', ' CD2', 202.344, 273.617, 243.653], ['A', ' CE1', 202.23, 273.43, 240.909], ['A', ' CE2', 203.043, 272.626, 243.008], ['A', ' CZ ', 202.984, 272.53, 241.634], ['A', ' H ', 198.476, 276.387, 245.398], ['A', ' HA ', 198.975, 275.408, 242.672], ['A', '1HB ', 201.019, 276.54, 243.123], ['A', '2HB ', 201.223, 275.685, 244.646], ['A', ' HD1', 200.942, 275.134, 240.984], ['A', ' HD2', 202.379, 273.701, 244.745], ['A', ' HE1', 202.185, 273.354, 239.822], ['A', ' HE2', 203.645, 271.921, 243.572], ['A', ' HZ ', 203.535, 271.744, 241.121]]
[['A', ' N ', 198.603, 272.921, 243.43], ['A', ' CA ', 198.378, 271.479, 243.709], ['A', ' C ', 199.537, 270.584, 243.22], ['A', ' O ', 199.87, 270.775, 242.059], ['A', ' CB ', 197.136, 271.176, 242.859], ['A', ' CG ', 197.26, 272.095, 241.658], ['A', ' CD ', 197.977, 273.351, 242.156], ['A', ' HA ', 198.186, 271.322, 244.77], ['A', '1HB ', 197.14, 270.112, 242.583], ['A', '2HB ', 196.226, 271.347, 243.455], ['A', '1HG ', 197.813, 271.59, 240.853], ['A', '2HG ', 196.256, 272.317, 241.254], ['A', '1HD ', 198.749, 273.625, 241.42], ['A', '2HD ', 197.235, 274.15, 242.327]]
[['A', ' N ', 200.498, 270.414, 244.13], ['A', ' CA ', 201.139, 269.086, 244.211], ['A', ' C ', 200.26, 267.946, 244.778], ['A', ' O ', 199.589, 268.136, 245.799], ['A', ' CB ', 202.404, 269.227, 245.079], ['A', ' CG ', 203.344, 267.986, 245.228], ['A', ' CD1', 203.998, 267.646, 243.894], ['A', ' CD2', 204.41, 268.306, 246.266], ['A', ' H ', 201.179, 271.159, 244.144], ['A', ' HA ', 201.427, 268.813, 243.198], ['A', '1HB ', 202.998, 270.033, 244.68], ['A', '2HB ', 202.082, 269.513, 246.078], ['A', ' HG ', 202.766, 267.118, 245.556], ['A', '1HD1', 204.651, 266.782, 244.025], ['A', '2HD1', 203.246, 267.405, 243.15], ['A', '3HD1', 204.587, 268.495, 243.549], ['A', '1HD2', 205.074, 267.448, 246.392], ['A', '2HD2', 204.995, 269.169, 245.941], ['A', '3HD2', 203.928, 268.532, 247.218]]
[['A', ' N ', 200.284, 266.763, 244.103], ['A', ' CA ', 199.585, 265.514, 244.499], ['A', ' C ', 200.458, 264.249, 244.271], ['A', ' O ', 201.31, 264.247, 243.381], ['A', ' CB ', 198.265, 265.363, 243.725], ['A', ' CG ', 197.209, 266.429, 244.017], ['A', ' CD ', 196.56, 266.236, 245.382], ['A', ' OE1', 195.557, 265.524, 245.507], ['A', ' NE2', 197.14, 266.841, 246.407], ['A', ' H ', 200.82, 266.717, 243.246], ['A', ' HA ', 199.376, 265.562, 245.565], ['A', '1HB ', 198.468, 265.38, 242.657], ['A', '2HB ', 197.829, 264.39, 243.956], ['A', '1HG ', 197.653, 267.418, 243.987], ['A', '2HG ', 196.428, 266.357, 243.261], ['A', '1HE2', 196.763, 266.746, 247.326], ['A', '2HE2', 197.99, 267.389, 246.256]]
[['A', ' N ', 200.224, 263.164, 245.056], ['A', ' CA ', 200.959, 261.883, 244.904], ['A', ' C ', 200.193, 260.633, 245.421], ['A', ' O ', 199.175, 260.771, 246.101], ['A', ' CB ', 202.294, 261.953, 245.622], ['A', ' OG ', 202.118, 262.016, 247.011], ['A', ' H ', 199.523, 263.224, 245.782], ['A', ' HA ', 201.146, 261.734, 243.837], ['A', '1HB ', 202.893, 261.08, 245.371], ['A', '2HB ', 202.847, 262.831, 245.285], ['A', ' HG ', 202.994, 262.121, 247.386]]
[['A', ' N ', 200.726, 259.431, 245.077], ['A', ' CA ', 200.278, 258.06, 245.462], ['A', ' C ', 200.777, 257.022, 244.441], ['A', ' O ', 201.638, 257.413, 243.662], ['A', ' CB ', 198.731, 258.011, 245.597], ['A', ' CG ', 198.076, 256.631, 245.847], ['A', ' CD1', 198.193, 255.997, 247.081], ['A', ' CD2', 197.318, 256.039, 244.843], ['A', ' CE1', 197.574, 254.786, 247.293], ['A', ' CE2', 196.705, 254.829, 245.066], ['A', ' CZ ', 196.833, 254.206, 246.282], ['A', ' OH ', 196.216, 253.007, 246.504], ['A', ' H ', 201.556, 259.463, 244.498], ['A', ' HA ', 200.714, 257.809, 246.424], ['A', '1HB ', 198.44, 258.609, 246.443], ['A', '2HB ', 198.271, 258.45, 244.713], ['A', ' HD1', 198.774, 256.457, 247.878], ['A', ' HD2', 197.215, 256.533, 243.876], ['A', ' HE1', 197.667, 254.287, 248.258], ['A', ' HE2', 196.116, 254.366, 244.276], ['A', ' HH ', 195.717, 252.752, 245.725]]
[['A', ' N ', 200.837, 255.791, 244.961], ['A', ' CA ', 200.229, 254.612, 244.358], ['A', ' C ', 201.267, 253.572, 243.956], ['A', ' O ', 200.819, 252.664, 243.267], ['A', ' H ', 201.777, 255.569, 245.294], ['A', '1HA ', 199.523, 254.17, 245.043], ['A', '2HA ', 199.668, 254.919, 243.463]]
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[['A', ' N ', 204.054, 251.113, 243.772], ['A', ' CA ', 204.262, 249.795, 243.157], ['A', ' C ', 205.069, 249.867, 241.852], ['A', ' O ', 204.517, 249.674, 240.767], ['A', ' CB ', 202.953, 249.049, 242.881], ['A', ' CG ', 203.189, 247.613, 242.286], ['A', ' CD ', 203.942, 246.719, 243.222], ['A', ' OE1', 203.395, 246.269, 244.232], ['A', ' NE2', 205.237, 246.485, 242.933], ['A', ' H ', 204.071, 251.175, 244.779], ['A', ' HA ', 204.793, 249.177, 243.871], ['A', '1HB ', 202.379, 248.957, 243.799], ['A', '2HB ', 202.351, 249.62, 242.168], ['A', '1HG ', 202.21, 247.166, 242.148], ['A', '2HG ', 203.704, 247.609, 241.34], ['A', '1HE2', 205.781, 245.905, 243.54], ['A', '2HE2', 205.714, 246.913, 242.111]]
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[['A', ' N ', 226.826, 251.154, 212.25], ['A', ' CA ', 226.373, 252.45, 211.793], ['A', ' C ', 226.697, 252.643, 210.344], ['A', ' O ', 227.855, 252.554, 209.941], ['A', ' CB ', 227.033, 253.582, 212.613], ['A', ' CG1', 226.597, 254.969, 212.083], ['A', ' CG2', 226.639, 253.431, 214.078], ['A', ' H ', 227.81, 250.923, 212.224], ['A', ' HA ', 225.291, 252.512, 211.916], ['A', ' HB ', 228.116, 253.518, 212.512], ['A', '1HG1', 227.081, 255.746, 212.675], ['A', '2HG1', 226.891, 255.088, 211.042], ['A', '3HG1', 225.517, 255.073, 212.166], ['A', '1HG2', 227.107, 254.22, 214.662], ['A', '2HG2', 225.557, 253.499, 214.17], ['A', '3HG2', 226.967, 252.479, 214.445]]
[['A', ' N ', 225.679, 252.932, 209.562], ['A', ' CA ', 225.903, 253.165, 208.16], ['A', ' C ', 225.484, 254.585, 207.828], ['A', ' O ', 224.317, 254.937, 207.987], ['A', ' CB ', 225.102, 252.139, 207.326], ['A', ' CG1', 225.321, 252.382, 205.808], ['A', ' CG2', 225.528, 250.701, 207.752], ['A', ' H ', 224.751, 252.992, 209.964], ['A', ' HA ', 226.965, 253.054, 207.936], ['A', ' HB ', 224.04, 252.272, 207.518], ['A', '1HG1', 224.739, 251.659, 205.237], ['A', '2HG1', 225.002, 253.392, 205.539], ['A', '3HG1', 226.378, 252.263, 205.57], ['A', '1HG2', 224.963, 249.965, 207.183], ['A', '2HG2', 226.594, 250.567, 207.561], ['A', '3HG2', 225.334, 250.56, 208.809]]
[['A', ' N ', 226.425, 255.399, 207.354], ['A', ' CA ', 226.09, 256.773, 206.997], ['A', ' C ', 226.076, 256.897, 205.492], ['A', ' O ', 227.128, 256.982, 204.854], ['A', ' CB ', 227.09, 257.774, 207.593], ['A', ' CG ', 227.275, 257.762, 209.129], ['A', ' CD1', 228.362, 258.767, 209.502], ['A', ' CD2', 225.956, 258.104, 209.834], ['A', ' H ', 227.369, 255.052, 207.246], ['A', ' HA ', 225.091, 257.009, 207.352], ['A', '1HB ', 228.064, 257.608, 207.138], ['A', '2HB ', 226.757, 258.773, 207.326], ['A', ' HG ', 227.609, 256.778, 209.444], ['A', '1HD1', 228.518, 258.752, 210.583], ['A', '2HD1', 229.294, 258.503, 209.002], ['A', '3HD1', 228.059, 259.769, 209.197], ['A', '1HD2', 226.114, 258.091, 210.913], ['A', '2HD2', 225.623, 259.097, 209.53], ['A', '3HD2', 225.196, 257.372, 209.58]]
[['A', ' N ', 224.882, 256.873, 204.928], ['A', ' CA ', 224.71, 256.902, 203.49], ['A', ' C ', 224.379, 258.299, 203.034], ['A', ' O ', 223.656, 259.022, 203.721], ['A', ' CB ', 223.626, 255.94, 203.075], ['A', ' OG ', 223.383, 256.027, 201.703], ['A', ' H ', 224.062, 256.822, 205.52], ['A', ' HA ', 225.644, 256.601, 203.016], ['A', '1HB ', 223.929, 254.925, 203.333], ['A', '2HB ', 222.716, 256.154, 203.628], ['A', ' HG ', 222.675, 255.398, 201.518]]
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[['A', ' N ', 223.361, 260.73, 199.414], ['A', ' CA ', 223.02, 260.859, 198.001], ['A', ' C ', 222.76, 262.342, 197.75], ['A', ' O ', 222.36, 263.053, 198.673], ['A', ' CB ', 221.796, 259.996, 197.599], ['A', ' CG ', 221.961, 258.438, 197.784], ['A', ' CD ', 220.82, 257.606, 197.181], ['A', ' OE1', 219.991, 258.181, 196.518], ['A', ' OE2', 220.801, 256.409, 197.383], ['A', ' H ', 222.848, 261.292, 200.081], ['A', ' HA ', 223.87, 260.553, 197.392], ['A', '1HB ', 220.926, 260.305, 198.188], ['A', '2HB ', 221.554, 260.185, 196.553], ['A', '1HG ', 222.906, 258.129, 197.336], ['A', '2HG ', 222.017, 258.218, 198.838]]
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[['A', ' N ', 217.626, 268.4, 191.291], ['A', ' CA ', 216.262, 268.427, 190.79], ['A', ' C ', 216.154, 269.177, 189.455], ['A', ' O ', 216.878, 270.152, 189.242], ['A', ' CB ', 215.357, 269.091, 191.819], ['A', ' H ', 217.856, 268.917, 192.131], ['A', ' HA ', 215.958, 267.395, 190.661], ['A', '1HB ', 214.327, 269.09, 191.471], ['A', '2HB ', 215.42, 268.557, 192.759], ['A', '3HB ', 215.68, 270.119, 191.967]]
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[['A', ' N ', 209.649, 251.12, 188.372], ['A', ' CA ', 208.442, 250.834, 187.629], ['A', ' C ', 207.382, 250.146, 188.439], ['A', ' O ', 207.546, 249.011, 188.873], ['A', ' CB ', 208.8, 249.971, 186.386], ['A', ' CG1', 207.553, 249.569, 185.603], ['A', ' CG2', 209.763, 250.768, 185.487], ['A', ' H ', 209.963, 252.088, 188.483], ['A', ' HA ', 208.033, 251.783, 187.281], ['A', ' HB ', 209.276, 249.048, 186.702], ['A', '1HG1', 207.852, 248.969, 184.745], ['A', '2HG1', 206.902, 248.983, 186.221], ['A', '3HG1', 207.032, 250.457, 185.259], ['A', '1HG2', 210.036, 250.169, 184.616], ['A', '2HG2', 209.277, 251.684, 185.157], ['A', '3HG2', 210.666, 251.02, 186.041]]
[['A', ' N ', 206.253, 250.802, 188.652], ['A', ' CA ', 205.252, 250.012, 189.308], ['A', ' C ', 204.984, 248.921, 188.313], ['A', ' O ', 204.675, 249.205, 187.156], ['A', ' CB ', 204.01, 250.805, 189.634], ['A', ' H ', 206.096, 251.744, 188.326], ['A', ' HA ', 205.666, 249.575, 190.217], ['A', '1HB ', 203.27, 250.144, 190.089], ['A', '2HB ', 204.262, 251.604, 190.329], ['A', '3HB ', 203.604, 251.228, 188.719]]
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[['A', ' N ', 200.371, 244.537, 187.587], ['A', ' CA ', 199.717, 243.299, 188.028], ['A', ' C ', 198.536, 242.878, 187.167], ['A', ' O ', 197.766, 241.976, 187.525], ['A', ' CB ', 199.293, 243.418, 189.483], ['A', ' CG ', 200.479, 243.433, 190.44], ['A', ' OD1', 201.13, 242.403, 190.65], ['A', ' ND2', 200.769, 244.577, 191.015], ['A', ' H ', 200.592, 245.165, 188.357], ['A', ' HA ', 200.45, 242.494, 187.962], ['A', '1HB ', 198.711, 244.332, 189.616], ['A', '2HB ', 198.647, 242.58, 189.743], ['A', '1HD2', 201.542, 244.635, 191.647], ['A', '2HD2', 200.222, 245.391, 190.828]]
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[['A', ' N ', 187.561, 208.229, 164.332], ['A', ' CA ', 188.979, 208.239, 164.651], ['A', ' C ', 189.693, 206.924, 164.335], ['A', ' O ', 190.887, 206.797, 164.619], ['A', ' CB ', 189.199, 208.52, 166.133], ['A', ' SG ', 188.67, 207.167, 167.226], ['A', ' H ', 186.901, 207.887, 165.037], ['A', ' HA ', 189.449, 209.034, 164.073], ['A', '1HB ', 190.254, 208.707, 166.316], ['A', '2HB ', 188.651, 209.416, 166.417], ['A', ' HG ', 187.356, 207.175, 166.896]]
[['A', ' N ', 188.992, 205.919, 163.795], ['A', ' CA ', 189.647, 204.624, 163.642], ['A', ' C ', 190.38, 204.41, 162.322], ['A', ' O ', 191.199, 203.498, 162.221], ['A', ' CB ', 188.633, 203.485, 163.856], ['A', ' OG1', 187.623, 203.509, 162.828], ['A', ' CG2', 187.97, 203.702, 165.222], ['A', ' H ', 188.011, 206.028, 163.509], ['A', ' HA ', 190.385, 204.536, 164.438], ['A', ' HB ', 189.142, 202.523, 163.838], ['A', ' HG1', 186.993, 202.802, 162.999], ['A', '1HG2', 187.248, 202.91, 165.409], ['A', '2HG2', 188.736, 203.686, 165.996], ['A', '3HG2', 187.465, 204.662, 165.246]]
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[['A', ' N ', 236.787, 229.094, 204.222], ['A', ' CA ', 236.282, 228.551, 205.471], ['A', ' C ', 237.292, 227.626, 206.101], ['A', ' O ', 237.345, 227.431, 207.322], ['A', ' CB ', 234.979, 227.835, 205.207], ['A', ' CG ', 235.163, 226.824, 204.155], ['A', ' OD1', 235.541, 227.248, 203.074], ['A', ' OD2', 234.945, 225.663, 204.379], ['A', ' H ', 236.359, 228.781, 203.34], ['A', ' HA ', 236.085, 229.373, 206.145], ['A', '1HB ', 234.629, 227.35, 206.121], ['A', '2HB ', 234.222, 228.551, 204.894]]
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[['A', ' N ', 239.769, 228.033, 211.671], ['A', ' CA ', 240.937, 227.99, 212.538], ['A', ' C ', 241.045, 229.33, 213.257], ['A', ' O ', 241.418, 229.394, 214.433], ['A', ' CB ', 242.199, 227.647, 211.735], ['A', ' CG ', 243.493, 227.265, 212.559], ['A', ' CD ', 243.348, 225.946, 213.383], ['A', ' OE1', 242.629, 225.013, 213.0], ['A', ' NE2', 244.055, 225.875, 214.492], ['A', ' H ', 239.875, 228.073, 210.664], ['A', ' HA ', 240.788, 227.213, 213.286], ['A', '1HB ', 241.974, 226.804, 211.078], ['A', '2HB ', 242.448, 228.49, 211.093], ['A', '1HG ', 244.323, 227.14, 211.865], ['A', '2HG ', 243.705, 228.071, 213.256], ['A', '1HE2', 244.011, 225.051, 215.061], ['A', '2HE2', 244.637, 226.638, 214.768]]
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[['A', ' N ', 238.922, 229.39, 216.292], ['A', ' CA ', 239.551, 228.688, 217.404], ['A', ' C ', 240.613, 229.535, 218.072], ['A', ' O ', 240.859, 229.386, 219.268], ['A', ' CB ', 240.165, 227.387, 216.958], ['A', ' OG ', 239.176, 226.469, 216.57], ['A', ' H ', 238.907, 228.964, 215.355], ['A', ' HA ', 238.779, 228.463, 218.14], ['A', '1HB ', 240.828, 227.575, 216.118], ['A', '2HB ', 240.764, 226.968, 217.763], ['A', ' HG ', 239.642, 225.668, 216.323]]
[['A', ' N ', 241.26, 230.42, 217.323], ['A', ' CA ', 242.237, 231.322, 217.912], ['A', ' C ', 241.594, 232.266, 218.923], ['A', ' O ', 242.244, 232.688, 219.879], ['A', ' CB ', 242.932, 232.149, 216.858], ['A', ' H ', 241.09, 230.449, 216.309], ['A', ' HA ', 242.973, 230.71, 218.433], ['A', '1HB ', 243.672, 232.781, 217.342], ['A', '2HB ', 243.415, 231.488, 216.142], ['A', '3HB ', 242.22, 232.772, 216.349]]
[['A', ' N ', 240.341, 232.647, 218.699], ['A', ' CA ', 239.679, 233.58, 219.598], ['A', ' C ', 239.022, 232.891, 220.771], ['A', ' O ', 238.951, 233.42, 221.89], ['A', ' CB ', 238.653, 234.378, 218.828], ['A', ' CG ', 239.181, 235.659, 218.18], ['A', ' CD1', 240.342, 235.361, 217.218], ['A', ' CD2', 238.072, 236.312, 217.434], ['A', ' H ', 239.844, 232.298, 217.868], ['A', ' HA ', 240.428, 234.265, 219.988], ['A', '1HB ', 238.25, 233.744, 218.033], ['A', '2HB ', 237.843, 234.646, 219.503], ['A', ' HG ', 239.544, 236.334, 218.955], ['A', '1HD1', 240.68, 236.296, 216.78], ['A', '2HD1', 241.168, 234.915, 217.741], ['A', '3HD1', 240.002, 234.691, 216.427], ['A', '1HD2', 238.455, 237.231, 216.992], ['A', '2HD2', 237.707, 235.656, 216.645], ['A', '3HD2', 237.259, 236.543, 218.123]]
[['A', ' N ', 238.672, 231.646, 220.581], ['A', ' CA ', 237.987, 230.905, 221.618], ['A', ' C ', 238.959, 230.383, 222.642], ['A', ' O ', 238.583, 229.738, 223.612], ['A', ' CB ', 237.215, 229.74, 221.031], ['A', ' CG ', 236.059, 230.085, 220.077], ['A', ' CD1', 235.513, 228.793, 219.507], ['A', ' CD2', 234.96, 230.86, 220.797], ['A', ' H ', 238.764, 231.262, 219.634], ['A', ' HA ', 237.307, 231.576, 222.129], ['A', '1HB ', 237.919, 229.116, 220.481], ['A', '2HB ', 236.804, 229.156, 221.848], ['A', ' HG ', 236.431, 230.689, 219.258], ['A', '1HD1', 234.703, 229.015, 218.815], ['A', '2HD1', 236.305, 228.263, 218.977], ['A', '3HD1', 235.137, 228.17, 220.314], ['A', '1HD2', 234.157, 231.074, 220.09], ['A', '2HD2', 234.568, 230.262, 221.62], ['A', '3HD2', 235.34, 231.798, 221.182]]
[['A', ' N ', 240.213, 230.715, 222.449], ['A', ' CA ', 241.321, 230.342, 223.288], ['A', ' C ', 241.289, 231.001, 224.666], ['A', ' O ', 242.047, 230.605, 225.547], ['A', ' CB ', 242.61, 230.706, 222.598], ['A', ' H ', 240.424, 231.241, 221.607], ['A', ' HA ', 241.283, 229.263, 223.431], ['A', '1HB ', 243.453, 230.386, 223.208], ['A', '2HB ', 242.647, 230.206, 221.625], ['A', '3HB ', 242.656, 231.784, 222.447]]
[['A', ' N ', 240.456, 232.016, 224.869], ['A', ' CA ', 240.45, 232.722, 226.159], ['A', ' C ', 240.208, 231.933, 227.493], ['A', ' O ', 240.749, 232.343, 228.525], ['A', ' H ', 239.858, 232.327, 224.091], ['A', '1HA ', 241.4, 233.246, 226.25], ['A', '2HA ', 239.698, 233.508, 226.097]]
[['A', ' N ', 239.396, 230.864, 227.522], ['A', ' CA ', 239.12, 230.152, 228.799], ['A', ' C ', 239.198, 228.601, 228.788], ['A', ' O ', 239.357, 227.987, 227.737], ['A', ' CB ', 237.759, 230.583, 229.37], ['A', ' OG1', 236.718, 230.201, 228.461], ['A', ' CG2', 237.718, 232.092, 229.597], ['A', ' H ', 238.968, 230.538, 226.664], ['A', ' HA ', 239.872, 230.481, 229.516], ['A', ' HB ', 237.599, 230.078, 230.328], ['A', ' HG1', 236.622, 229.245, 228.464], ['A', '1HG2', 236.753, 232.366, 230.013], ['A', '2HG2', 238.509, 232.374, 230.292], ['A', '3HG2', 237.856, 232.615, 228.663]]
[['A', ' N ', 239.082, 227.954, 229.993], ['A', ' CA ', 239.017, 226.764, 230.916], ['A', ' C ', 237.6, 226.438, 231.514], ['A', ' O ', 237.012, 227.297, 232.175], ['A', ' CB ', 239.966, 226.991, 232.137], ['A', ' CG1', 241.397, 227.186, 231.664], ['A', ' CG2', 239.882, 225.797, 233.12], ['A', ' CD1', 242.338, 227.683, 232.737], ['A', ' H ', 239.181, 227.192, 229.339], ['A', ' HA ', 239.355, 225.892, 230.356], ['A', ' HB ', 239.667, 227.9, 232.656], ['A', '1HG1', 241.776, 226.243, 231.276], ['A', '2HG1', 241.401, 227.92, 230.858], ['A', '1HG2', 240.52, 225.961, 233.974], ['A', '2HG2', 238.865, 225.677, 233.486], ['A', '3HG2', 240.191, 224.883, 232.614], ['A', '1HD1', 243.329, 227.808, 232.303], ['A', '2HD1', 241.983, 228.644, 233.113], ['A', '3HD1', 242.406, 226.983, 233.556]]
[['A', ' N ', 237.077, 225.193, 231.313], ['A', ' CA ', 235.746, 224.767, 231.843], ['A', ' C ', 235.669, 223.324, 232.47], ['A', ' O ', 235.461, 222.369, 231.71], ['A', ' CB ', 234.672, 224.768, 230.733], ['A', ' OG1', 235.096, 223.901, 229.693], ['A', ' CG2', 234.459, 226.143, 230.171], ['A', ' H ', 237.6, 224.527, 230.762], ['A', ' HA ', 235.455, 225.478, 232.615], ['A', ' HB ', 233.733, 224.401, 231.145], ['A', ' HG1', 235.118, 222.984, 230.058], ['A', '1HG2', 233.698, 226.102, 229.395], ['A', '2HG2', 234.134, 226.812, 230.967], ['A', '3HG2', 235.384, 226.516, 229.744]]
[['A', ' N ', 235.842, 223.14, 233.812], ['A', ' CA ', 235.785, 221.779, 234.454], ['A', ' C ', 235.31, 221.797, 235.934], ['A', ' O ', 235.844, 222.564, 236.735], ['A', ' CB ', 237.123, 221.105, 234.372], ['A', ' OG ', 237.081, 219.863, 235.008], ['A', ' H ', 236.012, 223.947, 234.394], ['A', ' HA ', 235.074, 221.176, 233.886], ['A', '1HB ', 237.399, 220.974, 233.325], ['A', '2HB ', 237.881, 221.735, 234.837], ['A', ' HG ', 237.935, 219.455, 234.841]]
[['A', ' N ', 234.291, 220.982, 236.292], ['A', ' CA ', 233.708, 220.962, 237.667], ['A', ' C ', 233.286, 219.593, 238.291], ['A', ' O ', 232.349, 219.037, 237.711], ['A', ' H ', 233.902, 220.371, 235.587], ['A', '1HA ', 234.441, 221.415, 238.342], ['A', '2HA ', 232.853, 221.632, 237.688]]
[['A', ' N ', 234.264, 218.786, 238.673], ['A', ' CA ', 234.163, 218.057, 239.983], ['A', ' C ', 232.961, 217.062, 240.246], ['A', ' O ', 232.843, 216.574, 241.37], ['A', ' CB ', 234.178, 219.024, 241.211], ['A', ' CG ', 235.451, 219.854, 241.445], ['A', ' CD1', 236.471, 220.063, 240.584], ['A', ' CD2', 235.835, 220.545, 242.672], ['A', ' NE1', 237.44, 220.844, 241.171], ['A', ' CE2', 237.074, 221.144, 242.435], ['A', ' CE3', 235.244, 220.697, 243.917], ['A', ' CZ2', 237.731, 221.89, 243.391], ['A', ' CZ3', 235.914, 221.452, 244.887], ['A', ' CH2', 237.123, 222.033, 244.622], ['A', ' H ', 234.617, 218.188, 237.943], ['A', ' HA ', 235.068, 217.454, 240.06], ['A', '1HB ', 233.344, 219.72, 241.125], ['A', '2HB ', 234.005, 218.446, 242.117], ['A', ' HD1', 236.531, 219.683, 239.57], ['A', ' HE1', 238.294, 221.141, 240.721], ['A', ' HE3', 234.281, 220.242, 244.135], ['A', ' HZ2', 238.697, 222.355, 243.196], ['A', ' HZ3', 235.445, 221.571, 245.862], ['A', ' HH2', 237.616, 222.616, 245.4]]
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[['A', ' N ', 230.787, 213.457, 240.402], ['A', ' CA ', 231.071, 212.008, 240.536], ['A', ' C ', 229.934, 211.051, 240.093], ['A', ' O ', 228.831, 211.479, 239.758], ['A', ' CB ', 231.437, 211.741, 242.029], ['A', ' CG ', 231.711, 210.286, 242.467], ['A', ' CD1', 232.876, 209.628, 242.109], ['A', ' CD2', 230.784, 209.596, 243.255], ['A', ' CE1', 233.093, 208.326, 242.503], ['A', ' CE2', 231.019, 208.3, 243.643], ['A', ' CZ ', 232.166, 207.667, 243.265], ['A', ' H ', 230.106, 213.879, 241.016], ['A', ' HA ', 231.946, 211.786, 239.926], ['A', '1HB ', 232.317, 212.329, 242.272], ['A', '2HB ', 230.627, 212.123, 242.649], ['A', ' HD1', 233.625, 210.146, 241.499], ['A', ' HD2', 229.858, 210.097, 243.555], ['A', ' HE1', 234.012, 207.816, 242.209], ['A', ' HE2', 230.286, 207.768, 244.253], ['A', ' HZ ', 232.345, 206.639, 243.574]]
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[['A', ' N ', 241.79, 244.899, 246.757], ['A', ' CA ', 241.389, 245.972, 245.861], ['A', ' C ', 242.414, 246.132, 244.753], ['A', ' O ', 242.063, 246.257, 243.571], ['A', ' CB ', 241.239, 247.274, 246.619], ['A', ' OG ', 240.851, 248.318, 245.769], ['A', ' H ', 241.951, 245.097, 247.754], ['A', ' HA ', 240.43, 245.713, 245.413], ['A', '1HB ', 240.501, 247.146, 247.41], ['A', '2HB ', 242.189, 247.522, 247.099], ['A', ' HG ', 240.791, 249.098, 246.324]]
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[['A', ' N ', 244.539, 243.893, 243.576], ['A', ' CA ', 244.547, 242.765, 242.669], ['A', ' C ', 243.391, 242.857, 241.728], ['A', ' O ', 243.515, 242.494, 240.546], ['A', ' CB ', 244.485, 241.465, 243.421], ['A', ' CG ', 245.717, 241.144, 244.16], ['A', ' CD ', 245.533, 239.936, 244.978], ['A', ' OE1', 244.42, 239.409, 245.044], ['A', ' NE2', 246.593, 239.476, 245.623], ['A', ' H ', 244.421, 243.74, 244.58], ['A', ' HA ', 245.469, 242.796, 242.089], ['A', '1HB ', 243.675, 241.527, 244.157], ['A', '2HB ', 244.253, 240.646, 242.743], ['A', '1HG ', 246.512, 240.952, 243.442], ['A', '2HG ', 245.99, 241.971, 244.807], ['A', '1HE2', 246.514, 238.659, 246.194], ['A', '2HE2', 247.475, 239.943, 245.541]]
[['A', ' N ', 242.264, 243.335, 242.222], ['A', ' CA ', 241.103, 243.456, 241.388], ['A', ' C ', 241.376, 244.447, 240.282], ['A', ' O ', 241.074, 244.158, 239.123], ['A', ' CB ', 239.885, 243.883, 242.201], ['A', ' OG1', 239.62, 242.9, 243.213], ['A', ' CG2', 238.677, 243.985, 241.282], ['A', ' H ', 242.199, 243.56, 243.22], ['A', ' HA ', 240.895, 242.485, 240.939], ['A', ' HB ', 240.071, 244.846, 242.675], ['A', ' HG1', 240.332, 242.934, 243.896], ['A', '1HG2', 237.808, 244.276, 241.866], ['A', '2HG2', 238.85, 244.727, 240.502], ['A', '3HG2', 238.495, 243.015, 240.819]]
[['A', ' N ', 241.973, 245.601, 240.608], ['A', ' CA ', 242.296, 246.602, 239.614], ['A', ' C ', 243.17, 246.036, 238.527], ['A', ' O ', 242.882, 246.19, 237.343], ['A', ' CB ', 243.002, 247.808, 240.229], ['A', ' CG ', 243.572, 248.891, 239.205], ['A', ' CD1', 242.74, 249.842, 238.606], ['A', ' CD2', 244.95, 248.93, 238.9], ['A', ' CE1', 243.278, 250.813, 237.724], ['A', ' CE2', 245.467, 249.9, 238.022], ['A', ' CZ ', 244.635, 250.83, 237.445], ['A', ' OH ', 245.139, 251.781, 236.602], ['A', ' H ', 242.165, 245.79, 241.604], ['A', ' HA ', 241.366, 246.934, 239.146], ['A', '1HB ', 242.311, 248.312, 240.908], ['A', '2HB ', 243.833, 247.454, 240.84], ['A', ' HD1', 241.674, 249.841, 238.823], ['A', ' HD2', 245.621, 248.203, 239.355], ['A', ' HE1', 242.619, 251.551, 237.267], ['A', ' HE2', 246.534, 249.915, 237.802], ['A', ' HH ', 246.089, 251.66, 236.514]]
[['A', ' N ', 244.241, 245.377, 238.932], ['A', ' CA ', 245.152, 244.868, 237.937], ['A', ' C ', 244.488, 243.833, 237.087], ['A', ' O ', 244.698, 243.804, 235.881], ['A', ' CB ', 246.424, 244.313, 238.559], ['A', ' CG1', 247.278, 243.634, 237.49], ['A', ' CG2', 247.177, 245.436, 239.19], ['A', ' H ', 244.427, 245.26, 239.933], ['A', ' HA ', 245.439, 245.703, 237.29], ['A', ' HB ', 246.166, 243.566, 239.317], ['A', '1HG1', 248.186, 243.25, 237.948], ['A', '2HG1', 246.744, 242.805, 237.029], ['A', '3HG1', 247.54, 244.362, 236.717], ['A', '1HG2', 248.088, 245.053, 239.646], ['A', '2HG2', 247.429, 246.177, 238.435], ['A', '3HG2', 246.562, 245.903, 239.961]]
[['A', ' N ', 243.724, 242.949, 237.7], ['A', ' CA ', 243.088, 241.917, 236.927], ['A', ' C ', 242.194, 242.528, 235.882], ['A', ' O ', 242.214, 242.107, 234.723], ['A', ' CB ', 242.271, 240.99, 237.824], ['A', ' OG1', 243.141, 240.366, 238.772], ['A', ' CG2', 241.603, 239.927, 236.984], ['A', ' H ', 243.589, 242.971, 238.71], ['A', ' HA ', 243.859, 241.336, 236.424], ['A', ' HB ', 241.517, 241.567, 238.361], ['A', ' HG1', 243.432, 241.042, 239.427], ['A', '1HG2', 241.033, 239.265, 237.632], ['A', '2HG2', 240.929, 240.382, 236.263], ['A', '3HG2', 242.361, 239.352, 236.455]]
[['A', ' N ', 241.415, 243.533, 236.255], ['A', ' CA ', 240.53, 244.104, 235.276], ['A', ' C ', 241.267, 244.839, 234.192], ['A', ' O ', 240.846, 244.795, 233.035], ['A', ' CB ', 239.537, 245.017, 235.944], ['A', ' CG ', 238.613, 244.276, 236.834], ['A', ' CD ', 237.856, 243.25, 236.097], ['A', ' OE1', 237.261, 243.531, 235.059], ['A', ' NE2', 237.876, 242.029, 236.607], ['A', ' H ', 241.405, 243.849, 237.232], ['A', ' HA ', 239.989, 243.292, 234.794], ['A', '1HB ', 240.074, 245.75, 236.552], ['A', '2HB ', 238.957, 245.557, 235.198], ['A', '1HG ', 239.181, 243.771, 237.603], ['A', '2HG ', 237.913, 244.975, 237.284], ['A', '1HE2', 237.38, 241.284, 236.154], ['A', '2HE2', 238.393, 241.851, 237.442]]
[['A', ' N ', 242.379, 245.489, 234.516], ['A', ' CA ', 243.103, 246.165, 233.463], ['A', ' C ', 243.63, 245.155, 232.475], ['A', ' O ', 243.587, 245.396, 231.266], ['A', ' CB ', 244.262, 246.985, 234.011], ['A', ' CG ', 244.963, 247.884, 232.969], ['A', ' CD ', 246.034, 247.167, 232.171], ['A', ' OE1', 246.603, 246.184, 232.627], ['A', ' NE2', 246.325, 247.663, 230.982], ['A', ' H ', 242.674, 245.567, 235.497], ['A', ' HA ', 242.417, 246.831, 232.943], ['A', '1HB ', 243.896, 247.624, 234.819], ['A', '2HB ', 245.001, 246.31, 234.453], ['A', '1HG ', 244.212, 248.245, 232.266], ['A', '2HG ', 245.425, 248.725, 233.486], ['A', '1HE2', 247.029, 247.226, 230.419], ['A', '2HE2', 245.849, 248.47, 230.639]]
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[['A', ' N ', 229.562, 247.924, 180.218], ['A', ' CA ', 229.795, 248.786, 181.379], ['A', ' C ', 230.748, 249.934, 181.178], ['A', ' O ', 230.91, 250.771, 182.062], ['A', ' CB ', 230.324, 247.943, 182.496], ['A', ' CG ', 231.601, 247.358, 182.08], ['A', ' OD1', 231.785, 247.119, 180.871], ['A', ' ND2', 232.477, 247.103, 183.004], ['A', ' H ', 230.329, 247.372, 179.843], ['A', ' HA ', 228.842, 249.219, 181.679], ['A', '1HB ', 230.463, 248.543, 183.401], ['A', '2HB ', 229.618, 247.145, 182.725], ['A', '1HD2', 233.358, 246.696, 182.763], ['A', '2HD2', 232.27, 247.312, 183.956]]
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daq_score_w9.pdb
daq_score_atom_w9.pdb
Please open it in pymol and visualize it by putting the following command to Pymol:
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spectrum b, red_white_blue, all, -1,1
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gcc -std=c99 -o DAQscore_colab main.c chkcmdline.o mrc.o readpdb.o thread.o dp.o -lm -O3 -msse4.2 -msse -msse2 -msse3 -mmmx -ftree-vectorize -ftree-vectorizer-verbose=3 -ffast-math -march=native -funroll-loops -fopenmp
rank_004_alphafold2_ptm_model_3_seed_000_s2 existed
Origin: (0., 0., 0.)
Previous voxel size: 1.0
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resizing finished!
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Finished processing model input!
0 batch processing time 1.048991
1 batch processing time 0.923312
2 batch processing time 0.933001
3 batch processing time 0.945820
4 batch processing time 0.926729
5 batch processing time 0.936332
6 batch processing time 0.944156
7 batch processing time 0.925863
8 batch processing time 0.940719
9 batch processing time 0.942610
10 batch processing time 0.925778
11 batch processing time 0.939178
12 batch processing time 0.939564
13 batch processing time 0.925979
14 batch processing time 0.952111
15 batch processing time 0.927492
16 batch processing time 0.930805
17 batch processing time 0.945083
18 batch processing time 0.925389
19 batch processing time 0.930465
20 batch processing time 0.946609
21 batch processing time 0.923252
22 batch processing time 0.934123
23 batch processing time 0.941597
24 batch processing time 0.924076
25 batch processing time 0.937293
26 batch processing time 0.938344
27 batch processing time 0.927436
28 batch processing time 0.941107
29 batch processing time 0.931157
30 batch processing time 0.932991
31 batch processing time 0.946811
32 batch processing time 0.926063
33 batch processing time 0.930460
34 batch processing time 0.944448
35 batch processing time 0.921077
36 batch processing time 0.930726
37 batch processing time 0.942349
38 batch processing time 0.923019
39 batch processing time 0.934811
40 batch processing time 0.946605
41 batch processing time 0.928334
42 batch processing time 0.933069
43 batch processing time 0.937677
44 batch processing time 0.925805
45 batch processing time 0.954980
46 batch processing time 0.930761
47 batch processing time 0.932937
48 batch processing time 0.952135
49 batch processing time 0.928850
50 batch processing time 0.937417
51 batch processing time 0.951789
52 batch processing time 0.930326
53 batch processing time 0.938245
54 batch processing time 0.946346
55 batch processing time 0.926940
56 batch processing time 0.941555
57 batch processing time 0.941405
58 batch processing time 0.929568
59 batch processing time 0.943452
60 batch processing time 0.933692
61 batch processing time 0.929651
62 batch processing time 0.953599
63 batch processing time 0.926175
64 batch processing time 0.934754
65 batch processing time 0.947463
66 batch processing time 0.925605
67 batch processing time 0.936890
68 batch processing time 0.947050
69 batch processing time 0.926941
70 batch processing time 0.938530
71 batch processing time 0.943999
72 batch processing time 0.929373
73 batch processing time 0.954278
74 batch processing time 0.936717
75 batch processing time 0.930519
76 batch processing time 0.952146
77 batch processing time 0.928839
78 batch processing time 0.932043
79 batch processing time 0.949778
80 batch processing time 0.928324
81 batch processing time 0.936035
82 batch processing time 0.948808
83 batch processing time 0.928940
84 batch processing time 0.938943
85 batch processing time 0.945210
86 batch processing time 0.928793
87 batch processing time 0.945244
88 batch processing time 0.937572
89 batch processing time 0.931097
90 batch processing time 0.947698
91 batch processing time 0.931630
92 batch processing time 0.932157
93 batch processing time 0.950867
94 batch processing time 0.926879
95 batch processing time 0.935108
96 batch processing time 0.951292
97 batch processing time 0.924092
98 batch processing time 0.935503
99 batch processing time 0.943691
100 batch processing time 0.927820
101 batch processing time 0.939446
102 batch processing time 0.943855
103 batch processing time 0.930291
104 batch processing time 0.939388
105 batch processing time 0.944797
106 batch processing time 0.930551
107 batch processing time 0.954269
108 batch processing time 0.930069
109 batch processing time 0.933908
110 batch processing time 0.946964
111 batch processing time 0.929796
112 batch processing time 0.938643
113 batch processing time 0.951925
114 batch processing time 0.922719
115 batch processing time 0.935382
116 batch processing time 0.942842
117 batch processing time 0.926816
118 batch processing time 0.942161
119 batch processing time 0.936337
120 batch processing time 0.927850
121 batch processing time 0.944427
122 batch processing time 0.925341
123 batch processing time 0.927322
124 batch processing time 0.948228
125 batch processing time 0.923938
126 batch processing time 0.931307
127 batch processing time 0.944731
128 batch processing time 0.922054
129 batch processing time 0.935264
130 batch processing time 0.944552
131 batch processing time 0.925624
132 batch processing time 0.937887
133 batch processing time 0.940819
134 batch processing time 0.924614
135 batch processing time 0.944265
136 batch processing time 0.930174
137 batch processing time 0.933855
138 batch processing time 0.945111
139 batch processing time 0.924126
140 batch processing time 0.927485
141 batch processing time 0.948603
142 batch processing time 0.920364
143 batch processing time 0.932164
144 batch processing time 0.943062
145 batch processing time 0.920988
146 batch processing time 0.933203
147 batch processing time 0.939479
148 batch processing time 0.922522
149 batch processing time 0.932843
prediction.txt, please have a check!
exe_path
daq_raw_score.pdb
total different chains: {'A'}
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[['A', ' N ', 237.38, 183.488, 205.546], ['A', ' CA ', 238.401, 183.251, 206.59], ['A', ' C ', 239.228, 181.976, 206.329], ['A', ' O ', 238.951, 181.242, 205.38], ['A', ' CB ', 237.712, 183.173, 207.981], ['A', ' CG ', 238.659, 183.35, 209.234], ['A', ' OD1', 239.836, 183.577, 209.03], ['A', ' OD2', 238.2, 183.232, 210.342], ['A', ' H ', 237.58, 184.22, 204.878], ['A', ' HA ', 239.082, 184.1, 206.601], ['A', '1HB ', 236.933, 183.93, 208.032], ['A', '2HB ', 237.233, 182.204, 208.079]]
[['A', ' N ', 240.225, 181.739, 207.199], ['A', ' CA ', 241.17, 180.606, 207.231], ['A', ' C ', 242.656, 180.99, 207.329], ['A', ' O ', 243.151, 181.343, 206.259], ['A', ' CB ', 241.021, 179.655, 206.027], ['A', ' CG ', 242.035, 178.477, 205.98], ['A', ' CD1', 241.859, 177.555, 207.199], ['A', ' CD2', 241.833, 177.712, 204.69], ['A', ' H ', 240.343, 182.445, 207.919], ['A', ' HA ', 240.923, 180.034, 208.118], ['A', '1HB ', 240.032, 179.208, 206.045], ['A', '2HB ', 241.138, 180.217, 205.108], ['A', ' HG ', 243.036, 178.87, 205.999], ['A', '1HD1', 242.585, 176.749, 207.14], ['A', '2HD1', 242.018, 178.091, 208.12], ['A', '3HD1', 240.853, 177.139, 207.198], ['A', '1HD2', 242.551, 176.896, 204.631], ['A', '2HD2', 240.82, 177.309, 204.665], ['A', '3HD2', 241.976, 178.386, 203.844]]
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[['A', ' N ', 246.527, 181.351, 209.422], ['A', ' CA ', 247.977, 181.324, 209.158], ['A', ' C ', 248.735, 182.654, 209.161], ['A', ' O ', 249.002, 183.101, 208.049], ['A', ' CB ', 248.192, 180.597, 207.815], ['A', ' CG ', 247.429, 179.277, 207.767], ['A', ' CD1', 246.404, 179.072, 206.832], ['A', ' CD2', 247.691, 178.268, 208.677], ['A', ' CE1', 245.697, 177.898, 206.812], ['A', ' CE2', 246.969, 177.098, 208.655], ['A', ' CZ ', 245.972, 176.914, 207.721], ['A', ' H ', 246.268, 181.077, 210.36], ['A', ' HA ', 248.429, 180.706, 209.923], ['A', '1HB ', 247.877, 181.223, 206.978], ['A', '2HB ', 249.253, 180.381, 207.686], ['A', ' HD1', 246.168, 179.867, 206.107], ['A', ' HD2', 248.475, 178.407, 209.42], ['A', ' HE1', 244.916, 177.753, 206.077], ['A', ' HE2', 247.186, 176.316, 209.377], ['A', ' HZ ', 245.405, 175.987, 207.707]]
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