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    "# Tutorial 04 — Packing and a Small Mutation Scan\n",
    "\n",
    "[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/uw-ipd/tmol/blob/master/docs/tutorial/04_packing_and_mutation_scan.ipynb)\n",
    "\n",
    "This tutorial repacks side chains in a small ubiquitin structure, inspects rotamer candidates, and composes example mutation-scan and design workflows.\n",
    "\n",
    "## Learning objectives\n",
    "\n",
    "- Build a repacking task and choose movable blocks.\n",
    "- Run the packer and inspect sequence and coordinates.\n",
    "- Distinguish repacking from design and examine sampling variability.\n",
    "\n",
    "## Before you begin\n",
    "\n",
    "- **Prerequisites:** [03 — Scoring and analysis](03_scoring_and_analysis.ipynb), including weighted scores and block-pair accounting.\n",
    "- **Curriculum:** This is the discrete-sampling branch after 03. Complete the parallel [05 — Minimization](05_minimization_constraints_kinematics.ipynb) branch before [06 — FastRelax](06_fast_relax.ipynb) combines both.\n",
    "- **Related:** [Packing workflow](../workflows/packing.md) · [Packing API](../api/pack.rst)\n",
    "\n",
    "Repacking preserves residue identity; design allows selected identities to change. The mutation scan is an example built from lower-level APIs, not a built-in TMol protocol. CPU and GPU packers can select different outcomes."
   ]
  },
  {
   "cell_type": "markdown",
   "id": "1ae117e1",
   "metadata": {},
   "source": [
    "## Setup\n",
    "\n",
    "The setup uses the sampler construction exercised by TMol's packer tests and existing score/pack/minimize tutorial. The ten-residue slice keeps CPU execution and two-outcome comparisons practical. NumPy and PyTorch seeds are initialized, but the current CPU annealer uses the C `rand()` stream and is not controlled by `torch.manual_seed()`. Hydrogen coordinates are optimized during pose construction before scores are interpreted."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "id": "ec0a2e18",
   "metadata": {},
   "outputs": [],
   "source": [
    "try:\n",
    "    import google.colab  # noqa: F401\n",
    "except ImportError:\n",
    "    IN_COLAB = False\n",
    "else:\n",
    "    IN_COLAB = True\n",
    "\n",
    "if IN_COLAB:\n",
    "    from urllib.request import urlopen\n",
    "\n",
    "    exec(\n",
    "        urlopen(\n",
    "            \"https://raw.githubusercontent.com/uw-ipd/tmol/\"\n",
    "            \"master/docs/tutorial/colab_setup.py\"\n",
    "        ).read(),\n",
    "        globals(),\n",
    "    )\n",
    "    setup_colab([\"tmol/tests/data/cif/1UBQ.cif\"])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "id": "74d07645",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "device=cpu; input=1UBQ.cif; slice blocks=10\n"
     ]
    }
   ],
   "source": [
    "from contextlib import redirect_stderr, redirect_stdout\n",
    "from io import StringIO\n",
    "from pathlib import Path\n",
    "from time import perf_counter\n",
    "import warnings\n",
    "\n",
    "import matplotlib.pyplot as plt\n",
    "import numpy as np\n",
    "import pandas as pd\n",
    "import torch\n",
    "from IPython.display import display\n",
    "from biotite.structure.io import load_structure\n",
    "\n",
    "import tmol\n",
    "from tmol.database import ParameterDatabase\n",
    "from tmol.io import pose_stack_from_biotite\n",
    "from tmol.numeric import coord_dihedrals\n",
    "from tmol.ops import (\n",
    "    build_sidechain_coord_mask,\n",
    "    compute_block_adjacency,\n",
    "    compute_block_centroids_and_furthest_dist,\n",
    "    res_mask_to_coord_mask,\n",
    ")\n",
    "from tmol.pack import PackerPalette, PackerTask, SetPackerTask, pack_rotamers\n",
    "from tmol.pack.rotamer import FixedAAChiSampler, IncludeCurrentSampler, build_rotamers\n",
    "from tmol.pack.rotamer.dunbrack import create_dunbrack_sampler_from_database\n",
    "from tmol.pose import PoseStackBuilder\n",
    "from tmol.score import beta2016_score_function\n",
    "\n",
    "SEED = 20260807\n",
    "np.random.seed(SEED)\n",
    "torch.manual_seed(SEED)\n",
    "if torch.cuda.is_available():\n",
    "    torch.cuda.manual_seed_all(SEED)\n",
    "warnings.filterwarnings(\n",
    "    \"ignore\", message=r\"Sparse invariant checks are implicitly disabled.*\"\n",
    ")\n",
    "\n",
    "device = (\n",
    "    torch.device(\"cuda\", torch.cuda.current_device())\n",
    "    if torch.cuda.is_available()\n",
    "    else torch.device(\"cpu\")\n",
    ")\n",
    "repo_root = Path.cwd()\n",
    "if not (repo_root / \"tmol/tests/data/cif/1UBQ.cif\").exists():\n",
    "    repo_root = Path(tmol.__file__).resolve().parents[1]\n",
    "cif_path = repo_root / \"tmol/tests/data/cif/1UBQ.cif\"\n",
    "\n",
    "param_db = ParameterDatabase.get_default()\n",
    "atom_array = load_structure(str(cif_path), model=1, include_bonds=True)\n",
    "protein_slice = atom_array[(atom_array.chain_id == \"A\") & (atom_array.res_id <= 10)]\n",
    "pose_diagnostics = StringIO()\n",
    "try:\n",
    "    with redirect_stdout(pose_diagnostics), redirect_stderr(pose_diagnostics):\n",
    "        # Optimize hydrogen coordinates before comparing interpreted scores.\n",
    "        pose_stack = pose_stack_from_biotite(\n",
    "            protein_slice, device, param_db=param_db, no_optH=False\n",
    "        )\n",
    "except Exception:\n",
    "    print(pose_diagnostics.getvalue())\n",
    "    raise\n",
    "score_function = beta2016_score_function(device, param_db=param_db)\n",
    "\n",
    "\n",
    "def show_table(frame):\n",
    "    try:\n",
    "        from itables import show\n",
    "    except ImportError:\n",
    "        display(frame)\n",
    "        return None\n",
    "    return show(frame)\n",
    "\n",
    "\n",
    "def total_score(pose):\n",
    "    scorer = score_function.render_whole_pose_scoring_module(pose)\n",
    "    return float(scorer(pose.coords).detach().cpu()[0])\n",
    "\n",
    "print(f\"device={device}; input={cif_path.name}; slice blocks={pose_stack.max_n_blocks}\")"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "de1446e5",
   "metadata": {},
   "source": [
    "## Fixed-sequence regional repacking\n",
    "\n",
    "`PackerPalette` defines the residue-type space considered from each starting block. `PackerTask.restrict_to_repacking()` keeps each position's `name3` fixed. The task then uses Dunbrack rotamers, fixed-amino-acid chi samples, and the current conformation.\n",
    "\n",
    "Here residues 3–8 (zero-based block indices 2–7) are allowed to repack. `disable_packing_by_block_mask()` receives `True` where packing should be disabled."
   ]
  },
  {
   "cell_type": "code",
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    "palette = PackerPalette()\n",
    "repack_task = PackerTask(pose_stack, palette)\n",
    "repack_task.restrict_to_repacking()\n",
    "\n",
    "packing_region = torch.zeros(\n",
    "    (pose_stack.n_poses, pose_stack.max_n_blocks),\n",
    "    dtype=torch.bool,\n",
    "    device=device,\n",
    ")\n",
    "packing_region[:, 2:8] = True\n",
    "repack_task.disable_packing_by_block_mask(~packing_region)\n",
    "repack_task.add_conformer_sampler(\n",
    "    create_dunbrack_sampler_from_database(param_db, device)\n",
    ")\n",
    "repack_task.add_conformer_sampler(FixedAAChiSampler())\n",
    "repack_task.add_conformer_sampler(IncludeCurrentSampler())\n",
    "\n",
    "start_score = total_score(pose_stack)\n",
    "torch.manual_seed(SEED)\n",
    "repacked_pose = pack_rotamers(pose_stack, score_function, repack_task)\n",
    "repacked_score = total_score(repacked_pose)\n",
    "\n",
    "packing_atom_mask = res_mask_to_coord_mask(pose_stack, packing_region)\n",
    "packing_sidechain_mask = packing_atom_mask & build_sidechain_coord_mask(pose_stack)\n",
    "sidechain_displacement = torch.linalg.vector_norm(\n",
    "    repacked_pose.coords - pose_stack.coords, dim=-1\n",
    ")[packing_sidechain_mask]\n",
    "sidechain_rms_displacement = float(\n",
    "    torch.sqrt(torch.mean(sidechain_displacement.square())).detach().cpu()\n",
    ")\n",
    "max_sidechain_displacement = float(sidechain_displacement.max().detach().cpu())\n",
    "changed_sidechain_atoms = int((sidechain_displacement > 1e-3).sum().detach().cpu())\n",
    "\n",
    "repack_frame = pd.DataFrame(\n",
    "    [\n",
    "        {\n",
    "            \"stage\": \"input\",\n",
    "            \"beta2016\": start_score,\n",
    "            \"score_change\": 0.0,\n",
    "            \"packed_sidechain_RMS_displacement_A\": 0.0,\n",
    "            \"max_sidechain_displacement_A\": 0.0,\n",
    "            \"changed_sidechain_atoms\": 0,\n",
    "        },\n",
    "        {\n",
    "            \"stage\": \"regional repack\",\n",
    "            \"beta2016\": repacked_score,\n",
    "            \"score_change\": repacked_score - start_score,\n",
    "            \"packed_sidechain_RMS_displacement_A\": sidechain_rms_displacement,\n",
    "            \"max_sidechain_displacement_A\": max_sidechain_displacement,\n",
    "            \"changed_sidechain_atoms\": changed_sidechain_atoms,\n",
    "        },\n",
    "    ]\n",
    ")\n",
    "show_table(repack_frame)"
   ]
  },
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   "source": [
    "**Expected observations.** The amino-acid sequence is unchanged, only blocks 3–8 are allowed to choose side-chain conformers, and the score may decrease when the input side chains are suboptimal. The interactive table quantifies score change, RMS and maximum displacement over packed side-chain atoms, and how many moved more than 0.001 Å. Backbone movement should remain zero because the packer chooses discrete side-chain conformers rather than minimizing coordinates.\n",
    "\n",
    "**CPU and GPU annealers are different algorithms.** The current CPU implementation runs one trajectory with 20 outer cycles, using `5 × N_rotamers` uniformly sampled random trials per cycle (about five trials per rotamer on average) and a final quench. It draws from C `rand()`, so `torch.manual_seed()` does not control CPU packing. The current CUDA implementation starts 500 high-temperature trajectories, expands selected results into 1,250 low-temperature trajectories, and sends 312 onward to full quenching; it draws from PyTorch's CUDA Philox generator, so the PyTorch CUDA seed controls that random stream. Packing remains stochastic, and CPU and GPU results should be treated as separate search protocols rather than expected to reproduce one another.\n",
    "\n",
    "The viewer is interactive when the parent documentation environment provides `py3Dmol`."
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       "$3Dmolpromise = null;\n",
       "  $3Dmolpromise = loadScriptAsync('https://cdn.jsdelivr.net/npm/3dmol@2.5.5/build/3Dmol-min.js');\n",
       "}\n",
       "\n",
       "var viewer_17885205928406138 = null;\n",
       "var warn = document.getElementById(\"3dmolwarning_17885205928406138\");\n",
       "if(warn) {\n",
       "    warn.parentNode.removeChild(warn);\n",
       "}\n",
       "$3Dmolpromise.then(function() {\n",
       "viewer_17885205928406138 = $3Dmol.createViewer(document.getElementById(\"3dmolviewer_17885205928406138\"),{backgroundColor:\"white\"});\n",
       "viewer_17885205928406138.zoomTo();\n",
       "\tviewer_17885205928406138.addModel(\"MODEL 1\\nATOM      1  N   MET A   1      27.340  24.430   2.614  0.00  0.00\\nATOM      2  CA  MET A   1      26.266  25.413   2.842  0.00  0.00\\nATOM      3  C   MET A   1      26.913  26.639   3.531  0.00  0.00\\nATOM      4  O   MET A   1      27.886  26.463   4.263  0.00  0.00\\nATOM      5  CB  MET A   1      25.112  24.880   3.649  0.00  0.00\\nATOM      6  CG  MET A   1      25.353  24.860   5.134  0.00  0.00\\nATOM      7  SD  MET A   1      23.930  23.959   5.904  0.00  0.00\\nATOM      8  CE  MET A   1      24.447  23.984   7.620  0.00  0.00\\nATOM      9  HA  MET A   1      25.864  25.717   1.875  0.00  0.00\\nATOM     10  HB2 MET A   1      24.227  25.486   3.461  0.00  0.00\\nATOM     11  HB3 MET A   1      24.886  23.861   3.332  0.00  0.00\\nATOM     12  HG2 MET A   1      26.298  24.359   5.342  0.00  0.00\\nATOM     13  HG3 MET A   1      25.421  25.882   5.505  0.00  0.00\\nATOM     14  HE1 MET A   1      23.700  23.479   8.233  0.00  0.00\\nATOM     15  HE2 MET A   1      25.405  23.472   7.719  0.00  0.00\\nATOM     16  HE3 MET A   1      24.552  25.017   7.954  0.00  0.00\\nATOM     17  H1  MET A   1      26.961  23.619   2.168  0.00  0.00\\nATOM     18  H2  MET A   1      28.043  24.834   2.029  0.00  0.00\\nATOM     19  H3  MET A   1      27.746  24.169   3.490  0.00  0.00\\nATOM     20  N   GLN A   2      26.335  27.770   3.258  0.00  0.00\\nATOM     21  CA  GLN A   2      26.850  29.021   3.898  0.00  0.00\\nATOM     22  C   GLN A   2      26.100  29.253   5.202  0.00  0.00\\nATOM     23  O   GLN A   2      24.865  29.024   5.330  0.00  0.00\\nATOM     24  CB  GLN A   2      26.733  30.148   2.905  0.00  0.00\\nATOM     25  CG  GLN A   2      26.882  31.546   3.409  0.00  0.00\\nATOM     26  CD  GLN A   2      26.786  32.562   2.270  0.00  0.00\\nATOM     27  OE1 GLN A   2      25.705  32.805   1.726  0.00  0.00\\nATOM     28  NE2 GLN A   2      27.919  33.155   1.910  0.00  0.00\\nATOM     29  H   GLN A   2      25.549  27.828   2.627  0.00  0.00\\nATOM     30  HA  GLN A   2      27.898  28.870   4.158  0.00  0.00\\nATOM     31  HB2 GLN A   2      27.488  30.028   2.128  0.00  0.00\\nATOM     32  HB3 GLN A   2      25.757  30.107   2.422  0.00  0.00\\nATOM     33  HG2 GLN A   2      26.089  31.748   4.128  0.00  0.00\\nATOM     34  HG3 GLN A   2      27.856  31.647   3.889  0.00  0.00\\nATOM     35 HE21 GLN A   2      28.773  32.928   2.378  0.00  0.00\\nATOM     36 HE22 GLN A   2      27.918  33.829   1.171  0.00  0.00\\nATOM     37  N   ILE A   3      26.849  29.656   6.217  0.00  0.00\\nATOM     38  CA  ILE A   3      26.235  30.058   7.497  0.00  0.00\\nATOM     39  C   ILE A   3      26.882  31.428   7.862  0.00  0.00\\nATOM     40  O   ILE A   3      27.906  31.711   7.264  0.00  0.00\\nATOM     41  CB  ILE A   3      26.344  29.050   8.645  0.00  0.00\\nATOM     42  CG1 ILE A   3      27.810  28.748   8.999  0.00  0.00\\nATOM     43  CG2 ILE A   3      25.491  27.771   8.287  0.00  0.00\\nATOM     44  CD1 ILE A   3      27.967  28.087  10.417  0.00  0.00\\nATOM     45  H   ILE A   3      27.854  29.691   6.121  0.00  0.00\\nATOM     46  HA  ILE A   3      25.168  30.210   7.336  0.00  0.00\\nATOM     47  HB  ILE A   3      25.964  29.500   9.562  0.00  0.00\\nATOM     48 HG12 ILE A   3      28.235  28.081   8.250  0.00  0.00\\nATOM     49 HG13 ILE A   3      28.388  29.672   8.977  0.00  0.00\\nATOM     50 HG21 ILE A   3      25.563  27.047   9.098  0.00  0.00\\nATOM     51 HG22 ILE A   3      24.449  28.056   8.147  0.00  0.00\\nATOM     52 HG23 ILE A   3      25.872  27.325   7.368  0.00  0.00\\nATOM     53 HD11 ILE A   3      29.022  27.896  10.615  0.00  0.00\\nATOM     54 HD12 ILE A   3      27.571  28.760  11.178  0.00  0.00\\nATOM     55 HD13 ILE A   3      27.418  27.147  10.443  0.00  0.00\\nATOM     56  N   PHE A   4      26.214  32.097   8.771  0.00  0.00\\nATOM     57  CA  PHE A   4      26.772  33.436   9.197  0.00  0.00\\nATOM     58  C   PHE A   4      27.151  33.362  10.650  0.00  0.00\\nATOM     59  O   PHE A   4      26.350  32.778  11.395  0.00  0.00\\nATOM     60  CB  PHE A   4      25.695  34.498   8.946  0.00  0.00\\nATOM     61  CG  PHE A   4      25.288  34.609   7.499  0.00  0.00\\nATOM     62  CD1 PHE A   4      24.147  33.966   7.038  0.00  0.00\\nATOM     63  CD2 PHE A   4      26.136  35.346   6.640  0.00  0.00\\nATOM     64  CE1 PHE A   4      23.812  34.031   5.677  0.00  0.00\\nATOM     65  CE2 PHE A   4      25.810  35.392   5.267  0.00  0.00\\nATOM     66  CZ  PHE A   4      24.620  34.778   4.853  0.00  0.00\\nATOM     67  H   PHE A   4      25.358  31.764   9.192  0.00  0.00\\nATOM     68  HA  PHE A   4      27.654  33.652   8.592  0.00  0.00\\nATOM     69  HB2 PHE A   4      24.809  34.264   9.535  0.00  0.00\\nATOM     70  HB3 PHE A   4      26.059  35.470   9.276  0.00  0.00\\nATOM     71  HD1 PHE A   4      23.523  33.417   7.744  0.00  0.00\\nATOM     72  HD2 PHE A   4      27.054  35.813   6.998  0.00  0.00\\nATOM     73  HE1 PHE A   4      22.936  33.500   5.306  0.00  0.00\\nATOM     74  HE2 PHE A   4      26.451  35.884   4.536  0.00  0.00\\nATOM     75  HZ  PHE A   4      24.350  34.921   3.808  0.00  0.00\\nATOM     76  N   VAL A   5      28.260  33.943  11.096  0.00  0.00\\nATOM     77  CA  VAL A   5      28.605  33.965  12.503  0.00  0.00\\nATOM     78  C   VAL A   5      28.638  35.461  12.900  0.00  0.00\\nATOM     79  O   VAL A   5      29.522  36.103  12.320  0.00  0.00\\nATOM     80  CB  VAL A   5      29.963  33.317  12.814  0.00  0.00\\nATOM     81  CG1 VAL A   5      30.211  33.394  14.304  0.00  0.00\\nATOM     82  CG2 VAL A   5      29.957  31.838  12.352  0.00  0.00\\nATOM     83  H   VAL A   5      28.880  34.382  10.431  0.00  0.00\\nATOM     84  HA  VAL A   5      27.849  33.405  13.054  0.00  0.00\\nATOM     85  HB  VAL A   5      30.745  33.862  12.284  0.00  0.00\\nATOM     86 HG11 VAL A   5      31.173  32.937  14.537  0.00  0.00\\nATOM     87 HG12 VAL A   5      30.220  34.438  14.618  0.00  0.00\\nATOM     88 HG13 VAL A   5      29.420  32.862  14.832  0.00  0.00\\nATOM     89 HG21 VAL A   5      30.922  31.384  12.574  0.00  0.00\\nATOM     90 HG22 VAL A   5      29.171  31.296  12.877  0.00  0.00\\nATOM     91 HG23 VAL A   5      29.774  31.793  11.278  0.00  0.00\\nATOM     92  N   LYS A   6      27.751  35.867  13.740  0.00  0.00\\nATOM     93  CA  LYS A   6      27.691  37.315  14.143  0.00  0.00\\nATOM     94  C   LYS A   6      28.469  37.475  15.420  0.00  0.00\\nATOM     95  O   LYS A   6      28.213  36.753  16.411  0.00  0.00\\nATOM     96  CB  LYS A   6      26.219  37.684  14.307  0.00  0.00\\nATOM     97  CG  LYS A   6      25.884  39.139  14.615  0.00  0.00\\nATOM     98  CD  LYS A   6      24.348  39.296  14.642  0.00  0.00\\nATOM     99  CE  LYS A   6      23.865  40.723  14.749  0.00  0.00\\nATOM    100  NZ  LYS A   6      22.375  40.720  14.907  0.00  0.00\\nATOM    101  H   LYS A   6      27.087  35.218  14.137  0.00  0.00\\nATOM    102  HA  LYS A   6      28.141  37.914  13.350  0.00  0.00\\nATOM    103  HB2 LYS A   6      25.678  37.436  13.394  0.00  0.00\\nATOM    104  HB3 LYS A   6      25.784  37.096  15.115  0.00  0.00\\nATOM    105  HG2 LYS A   6      26.311  39.414  15.580  0.00  0.00\\nATOM    106  HG3 LYS A   6      26.318  39.782  13.850  0.00  0.00\\nATOM    107  HD2 LYS A   6      23.923  38.876  13.729  0.00  0.00\\nATOM    108  HD3 LYS A   6      23.942  38.752  15.495  0.00  0.00\\nATOM    109  HE2 LYS A   6      24.336  41.203  15.605  0.00  0.00\\nATOM    110  HE3 LYS A   6      24.149  41.272  13.851  0.00  0.00\\nATOM    111  HZ1 LYS A   6      22.042  41.671  14.979  0.00  0.00\\nATOM    112  HZ2 LYS A   6      21.952  40.275  14.105  0.00  0.00\\nATOM    113  HZ3 LYS A   6      22.126  40.212  15.744  0.00  0.00\\nATOM    114  N   THR A   7      29.426  38.430  15.446  0.00  0.00\\nATOM    115  CA  THR A   7      30.225  38.643  16.662  0.00  0.00\\nATOM    116  C   THR A   7      29.664  39.839  17.434  0.00  0.00\\nATOM    117  O   THR A   7      28.850  40.565  16.859  0.00  0.00\\nATOM    118  CB  THR A   7      31.744  38.879  16.299  0.00  0.00\\nATOM    119  OG1 THR A   7      31.737  40.257  15.824  0.00  0.00\\nATOM    120  CG2 THR A   7      32.260  37.969  15.171  0.00  0.00\\nATOM    121  H   THR A   7      29.602  39.005  14.635  0.00  0.00\\nATOM    122  HA  THR A   7      30.152  37.751  17.284  0.00  0.00\\nATOM    123  HB  THR A   7      32.361  38.694  17.178  0.00  0.00\\nATOM    124  HG1 THR A   7      32.628  40.512  15.571  0.00  0.00\\nATOM    125 HG21 THR A   7      33.310  38.189  14.978  0.00  0.00\\nATOM    126 HG22 THR A   7      32.156  36.926  15.469  0.00  0.00\\nATOM    127 HG23 THR A   7      31.680  38.147  14.266  0.00  0.00\\nATOM    128  N   LEU A   8      30.132  40.069  18.642  0.00  0.00\\nATOM    129  CA  LEU A   8      29.607  41.180  19.467  0.00  0.00\\nATOM    130  C   LEU A   8      30.075  42.538  18.984  0.00  0.00\\nATOM    131  O   LEU A   8      29.586  43.570  19.483  0.00  0.00\\nATOM    132  CB  LEU A   8      29.919  40.890  20.938  0.00  0.00\\nATOM    133  CG  LEU A   8      29.183  39.722  21.581  0.00  0.00\\nATOM    134  CD1 LEU A   8      29.308  39.750  23.095  0.00  0.00\\nATOM    135  CD2 LEU A   8      27.700  39.721  21.228  0.00  0.00\\nATOM    136  H   LEU A   8      30.862  39.480  19.017  0.00  0.00\\nATOM    137  HA  LEU A   8      28.528  41.234  19.328  0.00  0.00\\nATOM    138  HB2 LEU A   8      30.985  40.688  21.034  0.00  0.00\\nATOM    139  HB3 LEU A   8      29.684  41.778  21.525  0.00  0.00\\nATOM    140  HG  LEU A   8      29.617  38.783  21.235  0.00  0.00\\nATOM    141 HD11 LEU A   8      28.771  38.902  23.520  0.00  0.00\\nATOM    142 HD12 LEU A   8      30.360  39.689  23.374  0.00  0.00\\nATOM    143 HD13 LEU A   8      28.883  40.677  23.478  0.00  0.00\\nATOM    144 HD21 LEU A   8      27.213  38.871  21.706  0.00  0.00\\nATOM    145 HD22 LEU A   8      27.242  40.646  21.578  0.00  0.00\\nATOM    146 HD23 LEU A   8      27.583  39.645  20.147  0.00  0.00\\nATOM    147  N   THR A   9      30.991  42.571  17.998  0.00  0.00\\nATOM    148  CA  THR A   9      31.422  43.940  17.553  0.00  0.00\\nATOM    149  C   THR A   9      30.755  44.351  16.277  0.00  0.00\\nATOM    150  O   THR A   9      31.207  45.268  15.566  0.00  0.00\\nATOM    151  CB  THR A   9      32.979  43.918  17.445  0.00  0.00\\nATOM    152  OG1 THR A   9      33.174  43.067  16.265  0.00  0.00\\nATOM    153  CG2 THR A   9      33.657  43.319  18.672  0.00  0.00\\nATOM    154  H   THR A   9      31.394  41.759  17.552  0.00  0.00\\nATOM    155  HA  THR A   9      31.106  44.664  18.305  0.00  0.00\\nATOM    156  HB  THR A   9      33.350  44.936  17.323  0.00  0.00\\nATOM    157  HG1 THR A   9      33.034  43.587  15.470  0.00  0.00\\nATOM    158 HG21 THR A   9      34.738  43.333  18.534  0.00  0.00\\nATOM    159 HG22 THR A   9      33.396  43.904  19.554  0.00  0.00\\nATOM    160 HG23 THR A   9      33.323  42.291  18.807  0.00  0.00\\nATOM    161  N   GLY A  10      29.721  43.673  15.885  0.00  0.00\\nATOM    162  CA  GLY A  10      28.978  43.960  14.678  0.00  0.00\\nATOM    163  C   GLY A  10      29.604  43.507  13.393  0.00  0.00\\nATOM    164  H   GLY A  10      29.431  42.902  16.470  0.00  0.00\\nATOM    165  HA2 GLY A  10      27.994  43.494  14.737  0.00  0.00\\nATOM    166  HA3 GLY A  10      28.820  45.035  14.595  0.00  0.00\\nATOM    167  O   GLY A  10      29.219  43.981  12.301  0.00  0.00\\nATOM    168  OXT GLY A  10      30.479  42.686  13.409  0.00  0.00\\nTER\\nENDMDL\\n\",\"pdb\");\n",
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       "</section>\n",
       "<section id=\"tmol-switch-9684141280bc44a994e6f27b46ad654b-panel-1\" class=\"tmol-switch-panel\"\n",
       "         style=\"position:absolute;inset:0;visibility:hidden\">\n",
       "  <div class=\"tmol-viewer-note\">score 19.816; Δ -7.880; side-chain RMS motion 0.492 Å</div>\n",
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       "$3Dmolpromise.then(function() {\n",
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       "viewer_17885205928495212.zoomTo();\n",
       "\tviewer_17885205928495212.addModel(\"MODEL 1\\nATOM      1  N   MET A   1      27.340  24.430   2.614  0.00  0.00\\nATOM      2  CA  MET A   1      26.266  25.413   2.842  0.00  0.00\\nATOM      3  C   MET A   1      26.913  26.639   3.531  0.00  0.00\\nATOM      4  O   MET A   1      27.886  26.463   4.263  0.00  0.00\\nATOM      5  CB  MET A   1      25.112  24.880   3.649  0.00  0.00\\nATOM      6  CG  MET A   1      25.353  24.860   5.134  0.00  0.00\\nATOM      7  SD  MET A   1      23.930  23.959   5.904  0.00  0.00\\nATOM      8  CE  MET A   1      24.447  23.984   7.620  0.00  0.00\\nATOM      9  HA  MET A   1      25.864  25.717   1.875  0.00  0.00\\nATOM     10  HB2 MET A   1      24.227  25.486   3.461  0.00  0.00\\nATOM     11  HB3 MET A   1      24.886  23.861   3.332  0.00  0.00\\nATOM     12  HG2 MET A   1      26.298  24.359   5.342  0.00  0.00\\nATOM     13  HG3 MET A   1      25.421  25.882   5.505  0.00  0.00\\nATOM     14  HE1 MET A   1      23.700  23.479   8.233  0.00  0.00\\nATOM     15  HE2 MET A   1      25.405  23.472   7.719  0.00  0.00\\nATOM     16  HE3 MET A   1      24.552  25.017   7.954  0.00  0.00\\nATOM     17  H1  MET A   1      26.961  23.619   2.168  0.00  0.00\\nATOM     18  H2  MET A   1      28.043  24.834   2.029  0.00  0.00\\nATOM     19  H3  MET A   1      27.746  24.169   3.490  0.00  0.00\\nATOM     20  N   GLN A   2      26.335  27.770   3.258  0.00  0.00\\nATOM     21  CA  GLN A   2      26.850  29.021   3.898  0.00  0.00\\nATOM     22  C   GLN A   2      26.100  29.253   5.202  0.00  0.00\\nATOM     23  O   GLN A   2      24.865  29.024   5.330  0.00  0.00\\nATOM     24  CB  GLN A   2      26.733  30.148   2.905  0.00  0.00\\nATOM     25  CG  GLN A   2      26.882  31.546   3.409  0.00  0.00\\nATOM     26  CD  GLN A   2      26.786  32.562   2.270  0.00  0.00\\nATOM     27  OE1 GLN A   2      25.705  32.805   1.726  0.00  0.00\\nATOM     28  NE2 GLN A   2      27.919  33.155   1.910  0.00  0.00\\nATOM     29  H   GLN A   2      25.549  27.828   2.627  0.00  0.00\\nATOM     30  HA  GLN A   2      27.898  28.870   4.158  0.00  0.00\\nATOM     31  HB2 GLN A   2      27.488  30.028   2.128  0.00  0.00\\nATOM     32  HB3 GLN A   2      25.757  30.107   2.422  0.00  0.00\\nATOM     33  HG2 GLN A   2      26.089  31.748   4.128  0.00  0.00\\nATOM     34  HG3 GLN A   2      27.856  31.647   3.889  0.00  0.00\\nATOM     35 HE21 GLN A   2      28.773  32.928   2.378  0.00  0.00\\nATOM     36 HE22 GLN A   2      27.918  33.829   1.171  0.00  0.00\\nATOM     37  N   ILE A   3      26.849  29.656   6.217  0.00  0.00\\nATOM     38  CA  ILE A   3      26.235  30.058   7.497  0.00  0.00\\nATOM     39  C   ILE A   3      26.882  31.428   7.862  0.00  0.00\\nATOM     40  O   ILE A   3      27.906  31.711   7.264  0.00  0.00\\nATOM     41  CB  ILE A   3      26.473  29.056   8.641  0.00  0.00\\nATOM     42  CG1 ILE A   3      27.969  28.942   8.949  0.00  0.00\\nATOM     43  CG2 ILE A   3      25.895  27.695   8.286  0.00  0.00\\nATOM     44  CD1 ILE A   3      28.278  28.129  10.185  0.00  0.00\\nATOM     45  H   ILE A   3      27.854  29.691   6.121  0.00  0.00\\nATOM     46  HA  ILE A   3      25.168  30.210   7.336  0.00  0.00\\nATOM     47  HB  ILE A   3      25.992  29.419   9.549  0.00  0.00\\nATOM     48 HG12 ILE A   3      28.480  28.485   8.102  0.00  0.00\\nATOM     49 HG13 ILE A   3      28.389  29.939   9.084  0.00  0.00\\nATOM     50 HG21 ILE A   3      26.073  26.999   9.105  0.00  0.00\\nATOM     51 HG22 ILE A   3      24.823  27.789   8.115  0.00  0.00\\nATOM     52 HG23 ILE A   3      26.375  27.321   7.381  0.00  0.00\\nATOM     53 HD11 ILE A   3      29.357  28.094  10.337  0.00  0.00\\nATOM     54 HD12 ILE A   3      27.804  28.590  11.052  0.00  0.00\\nATOM     55 HD13 ILE A   3      27.898  27.116  10.058  0.00  0.00\\nATOM     56  N   PHE A   4      26.214  32.097   8.771  0.00  0.00\\nATOM     57  CA  PHE A   4      26.772  33.436   9.197  0.00  0.00\\nATOM     58  C   PHE A   4      27.151  33.362  10.650  0.00  0.00\\nATOM     59  O   PHE A   4      26.350  32.778  11.395  0.00  0.00\\nATOM     60  CB  PHE A   4      25.760  34.564   8.985  0.00  0.00\\nATOM     61  CG  PHE A   4      25.431  34.820   7.542  0.00  0.00\\nATOM     62  CD1 PHE A   4      24.348  34.195   6.942  0.00  0.00\\nATOM     63  CD2 PHE A   4      26.203  35.684   6.782  0.00  0.00\\nATOM     64  CE1 PHE A   4      24.043  34.429   5.615  0.00  0.00\\nATOM     65  CE2 PHE A   4      25.901  35.921   5.455  0.00  0.00\\nATOM     66  CZ  PHE A   4      24.820  35.292   4.871  0.00  0.00\\nATOM     67  H   PHE A   4      25.358  31.764   9.192  0.00  0.00\\nATOM     68  HA  PHE A   4      27.654  33.652   8.592  0.00  0.00\\nATOM     69  HB2 PHE A   4      24.835  34.326   9.509  0.00  0.00\\nATOM     70  HB3 PHE A   4      26.150  35.487   9.414  0.00  0.00\\nATOM     71  HD1 PHE A   4      23.733  33.513   7.531  0.00  0.00\\nATOM     72  HD2 PHE A   4      27.058  36.181   7.243  0.00  0.00\\nATOM     73  HE1 PHE A   4      23.189  33.931   5.156  0.00  0.00\\nATOM     74  HE2 PHE A   4      26.516  36.604   4.868  0.00  0.00\\nATOM     75  HZ  PHE A   4      24.581  35.477   3.824  0.00  0.00\\nATOM     76  N   VAL A   5      28.260  33.943  11.096  0.00  0.00\\nATOM     77  CA  VAL A   5      28.605  33.965  12.503  0.00  0.00\\nATOM     78  C   VAL A   5      28.638  35.461  12.900  0.00  0.00\\nATOM     79  O   VAL A   5      29.522  36.103  12.320  0.00  0.00\\nATOM     80  CB  VAL A   5      29.975  33.328  12.801  0.00  0.00\\nATOM     81  CG1 VAL A   5      30.284  33.399  14.289  0.00  0.00\\nATOM     82  CG2 VAL A   5      29.992  31.886  12.315  0.00  0.00\\nATOM     83  H   VAL A   5      28.880  34.382  10.431  0.00  0.00\\nATOM     84  HA  VAL A   5      27.849  33.405  13.054  0.00  0.00\\nATOM     85  HB  VAL A   5      30.749  33.895  12.284  0.00  0.00\\nATOM     86 HG11 VAL A   5      31.256  32.945  14.481  0.00  0.00\\nATOM     87 HG12 VAL A   5      30.303  34.442  14.606  0.00  0.00\\nATOM     88 HG13 VAL A   5      29.517  32.863  14.846  0.00  0.00\\nATOM     89 HG21 VAL A   5      30.964  31.442  12.528  0.00  0.00\\nATOM     90 HG22 VAL A   5      29.214  31.320  12.828  0.00  0.00\\nATOM     91 HG23 VAL A   5      29.810  31.862  11.241  0.00  0.00\\nATOM     92  N   LYS A   6      27.751  35.867  13.740  0.00  0.00\\nATOM     93  CA  LYS A   6      27.691  37.315  14.143  0.00  0.00\\nATOM     94  C   LYS A   6      28.469  37.475  15.420  0.00  0.00\\nATOM     95  O   LYS A   6      28.213  36.753  16.411  0.00  0.00\\nATOM     96  CB  LYS A   6      26.254  37.801  14.338  0.00  0.00\\nATOM     97  CG  LYS A   6      26.131  39.283  14.667  0.00  0.00\\nATOM     98  CD  LYS A   6      24.673  39.701  14.795  0.00  0.00\\nATOM     99  CE  LYS A   6      24.549  41.178  15.138  0.00  0.00\\nATOM    100  NZ  LYS A   6      23.128  41.602  15.266  0.00  0.00\\nATOM    101  H   LYS A   6      27.087  35.218  14.137  0.00  0.00\\nATOM    102  HA  LYS A   6      28.141  37.914  13.350  0.00  0.00\\nATOM    103  HB2 LYS A   6      25.679  37.611  13.432  0.00  0.00\\nATOM    104  HB3 LYS A   6      25.786  37.239  15.147  0.00  0.00\\nATOM    105  HG2 LYS A   6      26.643  39.491  15.607  0.00  0.00\\nATOM    106  HG3 LYS A   6      26.601  39.871  13.880  0.00  0.00\\nATOM    107  HD2 LYS A   6      24.156  39.511  13.853  0.00  0.00\\nATOM    108  HD3 LYS A   6      24.194  39.115  15.578  0.00  0.00\\nATOM    109  HE2 LYS A   6      25.060  41.377  16.079  0.00  0.00\\nATOM    110  HE3 LYS A   6      25.023  41.775  14.359  0.00  0.00\\nATOM    111  HZ1 LYS A   6      23.088  42.586  15.493  0.00  0.00\\nATOM    112  HZ2 LYS A   6      22.648  41.439  14.392  0.00  0.00\\nATOM    113  HZ3 LYS A   6      22.682  41.070  15.999  0.00  0.00\\nATOM    114  N   THR A   7      29.426  38.430  15.446  0.00  0.00\\nATOM    115  CA  THR A   7      30.225  38.643  16.662  0.00  0.00\\nATOM    116  C   THR A   7      29.664  39.839  17.434  0.00  0.00\\nATOM    117  O   THR A   7      28.850  40.565  16.859  0.00  0.00\\nATOM    118  CB  THR A   7      31.712  38.885  16.343  0.00  0.00\\nATOM    119  OG1 THR A   7      31.852  40.101  15.597  0.00  0.00\\nATOM    120  CG2 THR A   7      32.278  37.729  15.532  0.00  0.00\\nATOM    121  H   THR A   7      29.602  39.005  14.635  0.00  0.00\\nATOM    122  HA  THR A   7      30.152  37.751  17.284  0.00  0.00\\nATOM    123  HB  THR A   7      32.273  38.978  17.272  0.00  0.00\\nATOM    124  HG1 THR A   7      32.756  40.416  15.666  0.00  0.00\\nATOM    125 HG21 THR A   7      33.330  37.917  15.316  0.00  0.00\\nATOM    126 HG22 THR A   7      32.184  36.805  16.101  0.00  0.00\\nATOM    127 HG23 THR A   7      31.727  37.637  14.597  0.00  0.00\\nATOM    128  N   LEU A   8      30.132  40.069  18.642  0.00  0.00\\nATOM    129  CA  LEU A   8      29.607  41.180  19.467  0.00  0.00\\nATOM    130  C   LEU A   8      30.075  42.538  18.984  0.00  0.00\\nATOM    131  O   LEU A   8      29.586  43.570  19.483  0.00  0.00\\nATOM    132  CB  LEU A   8      30.031  40.976  20.927  0.00  0.00\\nATOM    133  CG  LEU A   8      29.430  39.751  21.629  0.00  0.00\\nATOM    134  CD1 LEU A   8      30.037  39.613  23.018  0.00  0.00\\nATOM    135  CD2 LEU A   8      27.918  39.901  21.706  0.00  0.00\\nATOM    136  H   LEU A   8      30.862  39.480  19.017  0.00  0.00\\nATOM    137  HA  LEU A   8      28.528  41.234  19.328  0.00  0.00\\nATOM    138  HB2 LEU A   8      31.115  40.880  20.964  0.00  0.00\\nATOM    139  HB3 LEU A   8      29.745  41.859  21.499  0.00  0.00\\nATOM    140  HG  LEU A   8      29.677  38.851  21.066  0.00  0.00\\nATOM    141 HD11 LEU A   8      29.610  38.743  23.517  0.00  0.00\\nATOM    142 HD12 LEU A   8      31.117  39.488  22.933  0.00  0.00\\nATOM    143 HD13 LEU A   8      29.820  40.508  23.601  0.00  0.00\\nATOM    144 HD21 LEU A   8      27.490  39.030  22.204  0.00  0.00\\nATOM    145 HD22 LEU A   8      27.669  40.800  22.270  0.00  0.00\\nATOM    146 HD23 LEU A   8      27.508  39.980  20.698  0.00  0.00\\nATOM    147  N   THR A   9      30.991  42.571  17.998  0.00  0.00\\nATOM    148  CA  THR A   9      31.422  43.940  17.553  0.00  0.00\\nATOM    149  C   THR A   9      30.755  44.351  16.277  0.00  0.00\\nATOM    150  O   THR A   9      31.207  45.268  15.566  0.00  0.00\\nATOM    151  CB  THR A   9      32.979  43.918  17.445  0.00  0.00\\nATOM    152  OG1 THR A   9      33.174  43.067  16.265  0.00  0.00\\nATOM    153  CG2 THR A   9      33.657  43.319  18.672  0.00  0.00\\nATOM    154  H   THR A   9      31.394  41.759  17.552  0.00  0.00\\nATOM    155  HA  THR A   9      31.106  44.664  18.305  0.00  0.00\\nATOM    156  HB  THR A   9      33.350  44.936  17.323  0.00  0.00\\nATOM    157  HG1 THR A   9      33.034  43.587  15.470  0.00  0.00\\nATOM    158 HG21 THR A   9      34.738  43.333  18.534  0.00  0.00\\nATOM    159 HG22 THR A   9      33.396  43.904  19.554  0.00  0.00\\nATOM    160 HG23 THR A   9      33.323  42.291  18.807  0.00  0.00\\nATOM    161  N   GLY A  10      29.721  43.673  15.885  0.00  0.00\\nATOM    162  CA  GLY A  10      28.978  43.960  14.678  0.00  0.00\\nATOM    163  C   GLY A  10      29.604  43.507  13.393  0.00  0.00\\nATOM    164  H   GLY A  10      29.431  42.902  16.470  0.00  0.00\\nATOM    165  HA2 GLY A  10      27.994  43.494  14.737  0.00  0.00\\nATOM    166  HA3 GLY A  10      28.820  45.035  14.595  0.00  0.00\\nATOM    167  O   GLY A  10      29.219  43.981  12.301  0.00  0.00\\nATOM    168  OXT GLY A  10      30.479  42.686  13.409  0.00  0.00\\nTER\\nENDMDL\\n\",\"pdb\");\n",
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       "</script>\n",
       "</section>\n",
       "  </div>\n",
       "</div>\n",
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      "text/plain": [
       "<IPython.core.display.HTML object>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "try:\n",
    "    display(\n",
    "        tmol.switchable_view(\n",
    "            {\"input\": pose_stack, \"regional repack\": repacked_pose},\n",
    "            notes={\n",
    "                \"input\": f\"weighted score: {start_score:.3f}\",\n",
    "                \"regional repack\": (\n",
    "                    f\"score {repacked_score:.3f}; Δ {repacked_score - start_score:+.3f}; \"\n",
    "                    f\"side-chain RMS motion {sidechain_rms_displacement:.3f} Å\"\n",
    "                ),\n",
    "            },\n",
    "            width=720,\n",
    "            height=420,\n",
    "        )\n",
    "    )\n",
    "except ImportError as exc:\n",
    "    print(\"Interactive repacking comparison unavailable:\", exc)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "a00be31a",
   "metadata": {},
   "source": [
    "## Expand side-chain sampling\n",
    "\n",
    "TMol's `PackerTask.or_expand_chi()` requests additional samples at approximately ±1 standard deviation around supported chi wells. TMol chi indices are zero-based: index `0` is χ1 and index `1` is χ2. This is the closest local sampling concept to Rosetta's `ex1` and `ex2` task options, but it does not imply protocol or candidate-set equivalence.\n",
    "\n",
    "Two separate questions are kept separate below. Building rotamers gives deterministic candidate counts and geometry for a fixed pose/task. Packing those candidates gives stochastic score outcomes. Extra sampling enlarges the search but does not guarantee a lower selected score. The CUDA path shows two seeded outcomes per setting; the CPU path shows one outcome because `torch.manual_seed()` does not seed its C RNG. Neither is a convergence study. `IncludeCurrentSampler` keeps the input conformation available."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "id": "dc8e6aba",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "CPU packing shown once per setting: torch seeds do not control C rand().\n"
     ]
    },
    {
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 8.233  0.00  0.00\\nATOM     15  HE2 MET A   1      25.405  23.472   7.719  0.00  0.00\\nATOM     16  HE3 MET A   1      24.552  25.017   7.954  0.00  0.00\\nATOM     17  H1  MET A   1      26.961  23.619   2.168  0.00  0.00\\nATOM     18  H2  MET A   1      28.043  24.834   2.029  0.00  0.00\\nATOM     19  H3  MET A   1      27.746  24.169   3.490  0.00  0.00\\nATOM     20  N   GLN A   2      26.335  27.770   3.258  0.00  0.00\\nATOM     21  CA  GLN A   2      26.850  29.021   3.898  0.00  0.00\\nATOM     22  C   GLN A   2      26.100  29.253   5.202  0.00  0.00\\nATOM     23  O   GLN A   2      24.865  29.024   5.330  0.00  0.00\\nATOM     24  CB  GLN A   2      26.733  30.148   2.905  0.00  0.00\\nATOM     25  CG  GLN A   2      26.882  31.546   3.409  0.00  0.00\\nATOM     26  CD  GLN A   2      26.786  32.562   2.270  0.00  0.00\\nATOM     27  OE1 GLN A   2      25.705  32.805   1.726  0.00  0.00\\nATOM     28  NE2 GLN A   2      27.919  33.155   1.910  0.00  0.00\\nATOM     29  H   GLN A   2      25.549  27.828   2.627  0.00  0.00\\nATOM     30  HA  GLN A   2      27.898  28.870   4.158  0.00  0.00\\nATOM     31  HB2 GLN A   2      27.488  30.028   2.128  0.00  0.00\\nATOM     32  HB3 GLN A   2      25.757  30.107   2.422  0.00  0.00\\nATOM     33  HG2 GLN A   2      26.089  31.748   4.128  0.00  0.00\\nATOM     34  HG3 GLN A   2      27.856  31.647   3.889  0.00  0.00\\nATOM     35 HE21 GLN A   2      28.773  32.928   2.378  0.00  0.00\\nATOM     36 HE22 GLN A   2      27.918  33.829   1.171  0.00  0.00\\nATOM     37  N   ILE A   3      26.849  29.656   6.217  0.00  0.00\\nATOM     38  CA  ILE A   3      26.235  30.058   7.497  0.00  0.00\\nATOM     39  C   ILE A   3      26.882  31.428   7.862  0.00  0.00\\nATOM     40  O   ILE A   3      27.906  31.711   7.264  0.00  0.00\\nATOM     41  CB  ILE A   3      26.473  29.056   8.641  0.00  0.00\\nATOM     42  CG1 ILE A   3      27.969  28.942   8.949  0.00  0.00\\nATOM     43  CG2 ILE A   3      25.895  27.695   8.286  0.00  0.00\\nATOM     44  CD1 ILE A   3      28.278  28.129  10.185  0.00  0.00\\nATOM     45  H   ILE A   3      27.854  29.691   6.121  0.00  0.00\\nATOM     46  HA  ILE A   3      25.168  30.210   7.336  0.00  0.00\\nATOM     47  HB  ILE A   3      25.992  29.419   9.549  0.00  0.00\\nATOM     48 HG12 ILE A   3      28.480  28.485   8.102  0.00  0.00\\nATOM     49 HG13 ILE A   3      28.389  29.939   9.084  0.00  0.00\\nATOM     50 HG21 ILE A   3      26.073  26.999   9.105  0.00  0.00\\nATOM     51 HG22 ILE A   3      24.823  27.789   8.115  0.00  0.00\\nATOM     52 HG23 ILE A   3      26.375  27.321   7.381  0.00  0.00\\nATOM     53 HD11 ILE A   3      29.357  28.094  10.337  0.00  0.00\\nATOM     54 HD12 ILE A   3      27.804  28.590  11.052  0.00  0.00\\nATOM     55 HD13 ILE A   3      27.898  27.116  10.058  0.00  0.00\\nATOM     56  N   PHE A   4      26.214  32.097   8.771  0.00  0.00\\nATOM     57  CA  PHE A   4      26.772  33.436   9.197  0.00  0.00\\nATOM     58  C   PHE A   4      27.151  33.362  10.650  0.00  0.00\\nATOM     59  O   PHE A   4      26.350  32.778  11.395  0.00  0.00\\nATOM     60  CB  PHE A   4      25.760  34.564   8.985  0.00  0.00\\nATOM     61  CG  PHE A   4      25.431  34.820   7.542  0.00  0.00\\nATOM     62  CD1 PHE A   4      24.348  34.195   6.942  0.00  0.00\\nATOM     63  CD2 PHE A   4      26.203  35.684   6.782  0.00  0.00\\nATOM     64  CE1 PHE A   4      24.043  34.429   5.615  0.00  0.00\\nATOM     65  CE2 PHE A   4      25.901  35.921   5.455  0.00  0.00\\nATOM     66  CZ  PHE A   4      24.820  35.292   4.871  0.00  0.00\\nATOM     67  H   PHE A   4      25.358  31.764   9.192  0.00  0.00\\nATOM     68  HA  PHE A   4      27.654  33.652   8.592  0.00  0.00\\nATOM     69  HB2 PHE A   4      24.835  34.326   9.509  0.00  0.00\\nATOM     70  HB3 PHE A   4      26.150  35.487   9.414  0.00  0.00\\nATOM     71  HD1 PHE A   4      23.733  33.513   7.531  0.00  0.00\\nATOM     72  HD2 PHE A   4      27.058  36.181   7.243  0.00  0.00\\nATOM     73  HE1 PHE A   4      23.189  33.931   5.156  0.00  0.00\\nATOM     74  HE2 PHE A   4      26.516  36.604   4.868  0.00  0.00\\nATOM     75  HZ  PHE A   4      24.581  35.477   3.824  0.00  0.00\\nATOM     76  N   VAL A   5      28.260  33.943  11.096  0.00  0.00\\nATOM     77  CA  VAL A   5      28.605  33.965  12.503  0.00  0.00\\nATOM     78  C   VAL A   5      28.638  35.461  12.900  0.00  0.00\\nATOM     79  O   VAL A   5      29.522  36.103  12.320  0.00  0.00\\nATOM     80  CB  VAL A   5      29.975  33.328  12.801  0.00  0.00\\nATOM     81  CG1 VAL A   5      30.284  33.399  14.289  0.00  0.00\\nATOM     82  CG2 VAL A   5      29.992  31.886  12.315  0.00  0.00\\nATOM     83  H   VAL A   5      28.880  34.382  10.431  0.00  0.00\\nATOM     84  HA  VAL A   5      27.849  33.405  13.054  0.00  0.00\\nATOM     85  HB  VAL A   5      30.749  33.895  12.284  0.00  0.00\\nATOM     86 HG11 VAL A   5      31.256  32.945  14.481  0.00  0.00\\nATOM     87 HG12 VAL A   5      30.303  34.442  14.606  0.00  0.00\\nATOM     88 HG13 VAL A   5      29.517  32.863  14.846  0.00  0.00\\nATOM     89 HG21 VAL A   5      30.964  31.442  12.528  0.00  0.00\\nATOM     90 HG22 VAL A   5      29.214  31.320  12.828  0.00  0.00\\nATOM     91 HG23 VAL A   5      29.810  31.862  11.241  0.00  0.00\\nATOM     92  N   LYS A   6      27.751  35.867  13.740  0.00  0.00\\nATOM     93  CA  LYS A   6      27.691  37.315  14.143  0.00  0.00\\nATOM     94  C   LYS A   6      28.469  37.475  15.420  0.00  0.00\\nATOM     95  O   LYS A   6      28.213  36.753  16.411  0.00  0.00\\nATOM     96  CB  LYS A   6      26.254  37.801  14.338  0.00  0.00\\nATOM     97  CG  LYS A   6      26.131  39.283  14.667  0.00  0.00\\nATOM     98  CD  LYS A   6      24.673  39.701  14.795  0.00  0.00\\nATOM     99  CE  LYS A   6      24.549  41.178  15.138  0.00  0.00\\nATOM    100  NZ  LYS A   6      23.128  41.602  15.266  0.00  0.00\\nATOM    101  H   LYS A   6      27.087  35.218  14.137  0.00  0.00\\nATOM    102  HA  LYS A   6      28.141  37.914  13.350  0.00  0.00\\nATOM    103  HB2 LYS A   6      25.679  37.611  13.432  0.00  0.00\\nATOM    104  HB3 LYS A   6      25.786  37.239  15.147  0.00  0.00\\nATOM    105  HG2 LYS A   6      26.643  39.491  15.607  0.00  0.00\\nATOM    106  HG3 LYS A   6      26.601  39.871  13.880  0.00  0.00\\nATOM    107  HD2 LYS A   6      24.156  39.511  13.853  0.00  0.00\\nATOM    108  HD3 LYS A   6      24.194  39.115  15.578  0.00  0.00\\nATOM    109  HE2 LYS A   6      25.060  41.377  16.079  0.00  0.00\\nATOM    110  HE3 LYS A   6      25.023  41.775  14.359  0.00  0.00\\nATOM    111  HZ1 LYS A   6      23.088  42.586  15.493  0.00  0.00\\nATOM    112  HZ2 LYS A   6      22.648  41.439  14.392  0.00  0.00\\nATOM    113  HZ3 LYS A   6      22.682  41.070  15.999  0.00  0.00\\nATOM    114  N   THR A   7      29.426  38.430  15.446  0.00  0.00\\nATOM    115  CA  THR A   7      30.225  38.643  16.662  0.00  0.00\\nATOM    116  C   THR A   7      29.664  39.839  17.434  0.00  0.00\\nATOM    117  O   THR A   7      28.850  40.565  16.859  0.00  0.00\\nATOM    118  CB  THR A   7      31.712  38.885  16.343  0.00  0.00\\nATOM    119  OG1 THR A   7      31.852  40.101  15.597  0.00  0.00\\nATOM    120  CG2 THR A   7      32.278  37.729  15.532  0.00  0.00\\nATOM    121  H   THR A   7      29.602  39.005  14.635  0.00  0.00\\nATOM    122  HA  THR A   7      30.152  37.751  17.284  0.00  0.00\\nATOM    123  HB  THR A   7      32.273  38.978  17.272  0.00  0.00\\nATOM    124  HG1 THR A   7      32.756  40.416  15.666  0.00  0.00\\nATOM    125 HG21 THR A   7      33.330  37.917  15.316  0.00  0.00\\nATOM    126 HG22 THR A   7      32.184  36.805  16.101  0.00  0.00\\nATOM    127 HG23 THR A   7      31.727  37.637  14.597  0.00  0.00\\nATOM    128  N   LEU A   8      30.132  40.069  18.642  0.00  0.00\\nATOM    129  CA  LEU A   8      29.607  41.180  19.467  0.00  0.00\\nATOM    130  C   LEU A   8      30.075  42.538  18.984  0.00  0.00\\nATOM    131  O   LEU A   8      29.586  43.570  19.483  0.00  0.00\\nATOM    132  CB  LEU A   8      30.031  40.976  20.927  0.00  0.00\\nATOM    133  CG  LEU A   8      29.430  39.751  21.629  0.00  0.00\\nATOM    134  CD1 LEU A   8      30.037  39.613  23.018  0.00  0.00\\nATOM    135  CD2 LEU A   8      27.918  39.901  21.706  0.00  0.00\\nATOM    136  H   LEU A   8      30.862  39.480  19.017  0.00  0.00\\nATOM    137  HA  LEU A   8      28.528  41.234  19.328  0.00  0.00\\nATOM    138  HB2 LEU A   8      31.115  40.880  20.964  0.00  0.00\\nATOM    139  HB3 LEU A   8      29.745  41.859  21.499  0.00  0.00\\nATOM    140  HG  LEU A   8      29.677  38.851  21.066  0.00  0.00\\nATOM    141 HD11 LEU A   8      29.610  38.743  23.517  0.00  0.00\\nATOM    142 HD12 LEU A   8      31.117  39.488  22.933  0.00  0.00\\nATOM    143 HD13 LEU A   8      29.820  40.508  23.601  0.00  0.00\\nATOM    144 HD21 LEU A   8      27.490  39.030  22.204  0.00  0.00\\nATOM    145 HD22 LEU A   8      27.669  40.800  22.270  0.00  0.00\\nATOM    146 HD23 LEU A   8      27.508  39.980  20.698  0.00  0.00\\nATOM    147  N   THR A   9      30.991  42.571  17.998  0.00  0.00\\nATOM    148  CA  THR A   9      31.422  43.940  17.553  0.00  0.00\\nATOM    149  C   THR A   9      30.755  44.351  16.277  0.00  0.00\\nATOM    150  O   THR A   9      31.207  45.268  15.566  0.00  0.00\\nATOM    151  CB  THR A   9      32.979  43.918  17.445  0.00  0.00\\nATOM    152  OG1 THR A   9      33.174  43.067  16.265  0.00  0.00\\nATOM    153  CG2 THR A   9      33.657  43.319  18.672  0.00  0.00\\nATOM    154  H   THR A   9      31.394  41.759  17.552  0.00  0.00\\nATOM    155  HA  THR A   9      31.106  44.664  18.305  0.00  0.00\\nATOM    156  HB  THR A   9      33.350  44.936  17.323  0.00  0.00\\nATOM    157  HG1 THR A   9      33.034  43.587  15.470  0.00  0.00\\nATOM    158 HG21 THR A   9      34.738  43.333  18.534  0.00  0.00\\nATOM    159 HG22 THR A   9      33.396  43.904  19.554  0.00  0.00\\nATOM    160 HG23 THR A   9      33.323  42.291  18.807  0.00  0.00\\nATOM    161  N   GLY A  10      29.721  43.673  15.885  0.00  0.00\\nATOM    162  CA  GLY A  10      28.978  43.960  14.678  0.00  0.00\\nATOM    163  C   GLY A  10      29.604  43.507  13.393  0.00  0.00\\nATOM    164  H   GLY A  10      29.431  42.902  16.470  0.00  0.00\\nATOM    165  HA2 GLY A  10      27.994  43.494  14.737  0.00  0.00\\nATOM    166  HA3 GLY A  10      28.820  45.035  14.595  0.00  0.00\\nATOM    167  O   GLY A  10      29.219  43.981  12.301  0.00  0.00\\nATOM    168  OXT GLY A  10      30.479  42.686  13.409  0.00  0.00\\nTER\\nENDMDL\\n\",\"pdb\");\n",
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       "</section>\n",
       "<section id=\"tmol-switch-6efbb3bb6a41452bb39dc88a62e61b29-panel-1\" class=\"tmol-switch-panel\"\n",
       "         style=\"position:absolute;inset:0;visibility:hidden\">\n",
       "  <div class=\"tmol-viewer-note\">outcome 1 weighted score 19.587</div>\n",
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       "        <p id=\"3dmolwarning_17885205940280738\" style=\"background-color:#ffcccc;color:black\">3Dmol.js failed to load for some reason.  Please check your browser console for error messages.<br></p>\n",
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       "viewer_17885205940280738 = $3Dmol.createViewer(document.getElementById(\"3dmolviewer_17885205940280738\"),{backgroundColor:\"white\"});\n",
       "viewer_17885205940280738.zoomTo();\n",
       "\tviewer_17885205940280738.addModel(\"MODEL 1\\nATOM      1  N   MET A   1      27.340  24.430   2.614  0.00  0.00\\nATOM      2  CA  MET A   1      26.266  25.413   2.842  0.00  0.00\\nATOM      3  C   MET A   1      26.913  26.639   3.531  0.00  0.00\\nATOM      4  O   MET A   1      27.886  26.463   4.263  0.00  0.00\\nATOM      5  CB  MET A   1      25.112  24.880   3.649  0.00  0.00\\nATOM      6  CG  MET A   1      25.353  24.860   5.134  0.00  0.00\\nATOM      7  SD  MET A   1      23.930  23.959   5.904  0.00  0.00\\nATOM      8  CE  MET A   1      24.447  23.984   7.620  0.00  0.00\\nATOM      9  HA  MET A   1      25.864  25.717   1.875  0.00  0.00\\nATOM     10  HB2 MET A   1      24.227  25.486   3.461  0.00  0.00\\nATOM     11  HB3 MET A   1      24.886  23.861   3.332  0.00  0.00\\nATOM     12  HG2 MET A   1      26.298  24.359   5.342  0.00  0.00\\nATOM     13  HG3 MET A   1      25.421  25.882   5.505  0.00  0.00\\nATOM     14  HE1 MET A   1      23.700  23.479   8.233  0.00  0.00\\nATOM     15  HE2 MET A   1      25.405  23.472   7.719  0.00  0.00\\nATOM     16  HE3 MET A   1      24.552  25.017   7.954  0.00  0.00\\nATOM     17  H1  MET A   1      26.961  23.619   2.168  0.00  0.00\\nATOM     18  H2  MET A   1      28.043  24.834   2.029  0.00  0.00\\nATOM     19  H3  MET A   1      27.746  24.169   3.490  0.00  0.00\\nATOM     20  N   GLN A   2      26.335  27.770   3.258  0.00  0.00\\nATOM     21  CA  GLN A   2      26.850  29.021   3.898  0.00  0.00\\nATOM     22  C   GLN A   2      26.100  29.253   5.202  0.00  0.00\\nATOM     23  O   GLN A   2      24.865  29.024   5.330  0.00  0.00\\nATOM     24  CB  GLN A   2      26.733  30.148   2.905  0.00  0.00\\nATOM     25  CG  GLN A   2      26.882  31.546   3.409  0.00  0.00\\nATOM     26  CD  GLN A   2      26.786  32.562   2.270  0.00  0.00\\nATOM     27  OE1 GLN A   2      25.705  32.805   1.726  0.00  0.00\\nATOM     28  NE2 GLN A   2      27.919  33.155   1.910  0.00  0.00\\nATOM     29  H   GLN A   2      25.549  27.828   2.627  0.00  0.00\\nATOM     30  HA  GLN A   2      27.898  28.870   4.158  0.00  0.00\\nATOM     31  HB2 GLN A   2      27.488  30.028   2.128  0.00  0.00\\nATOM     32  HB3 GLN A   2      25.757  30.107   2.422  0.00  0.00\\nATOM     33  HG2 GLN A   2      26.089  31.748   4.128  0.00  0.00\\nATOM     34  HG3 GLN A   2      27.856  31.647   3.889  0.00  0.00\\nATOM     35 HE21 GLN A   2      28.773  32.928   2.378  0.00  0.00\\nATOM     36 HE22 GLN A   2      27.918  33.829   1.171  0.00  0.00\\nATOM     37  N   ILE A   3      26.849  29.656   6.217  0.00  0.00\\nATOM     38  CA  ILE A   3      26.235  30.058   7.497  0.00  0.00\\nATOM     39  C   ILE A   3      26.882  31.428   7.862  0.00  0.00\\nATOM     40  O   ILE A   3      27.906  31.711   7.264  0.00  0.00\\nATOM     41  CB  ILE A   3      26.473  29.056   8.641  0.00  0.00\\nATOM     42  CG1 ILE A   3      27.969  28.942   8.949  0.00  0.00\\nATOM     43  CG2 ILE A   3      25.895  27.695   8.286  0.00  0.00\\nATOM     44  CD1 ILE A   3      28.278  28.129  10.185  0.00  0.00\\nATOM     45  H   ILE A   3      27.854  29.691   6.121  0.00  0.00\\nATOM     46  HA  ILE A   3      25.168  30.210   7.336  0.00  0.00\\nATOM     47  HB  ILE A   3      25.992  29.419   9.549  0.00  0.00\\nATOM     48 HG12 ILE A   3      28.480  28.485   8.102  0.00  0.00\\nATOM     49 HG13 ILE A   3      28.389  29.939   9.084  0.00  0.00\\nATOM     50 HG21 ILE A   3      26.073  26.999   9.105  0.00  0.00\\nATOM     51 HG22 ILE A   3      24.823  27.789   8.115  0.00  0.00\\nATOM     52 HG23 ILE A   3      26.375  27.321   7.381  0.00  0.00\\nATOM     53 HD11 ILE A   3      29.357  28.094  10.337  0.00  0.00\\nATOM     54 HD12 ILE A   3      27.804  28.590  11.052  0.00  0.00\\nATOM     55 HD13 ILE A   3      27.898  27.116  10.058  0.00  0.00\\nATOM     56  N   PHE A   4      26.214  32.097   8.771  0.00  0.00\\nATOM     57  CA  PHE A   4      26.772  33.436   9.197  0.00  0.00\\nATOM     58  C   PHE A   4      27.151  33.362  10.650  0.00  0.00\\nATOM     59  O   PHE A   4      26.350  32.778  11.395  0.00  0.00\\nATOM     60  CB  PHE A   4      25.760  34.564   8.985  0.00  0.00\\nATOM     61  CG  PHE A   4      25.431  34.820   7.542  0.00  0.00\\nATOM     62  CD1 PHE A   4      24.455  34.075   6.897  0.00  0.00\\nATOM     63  CD2 PHE A   4      26.096  35.804   6.827  0.00  0.00\\nATOM     64  CE1 PHE A   4      24.151  34.309   5.569  0.00  0.00\\nATOM     65  CE2 PHE A   4      25.793  36.041   5.501  0.00  0.00\\nATOM     66  CZ  PHE A   4      24.820  35.292   4.871  0.00  0.00\\nATOM     67  H   PHE A   4      25.358  31.764   9.192  0.00  0.00\\nATOM     68  HA  PHE A   4      27.654  33.652   8.592  0.00  0.00\\nATOM     69  HB2 PHE A   4      24.835  34.326   9.509  0.00  0.00\\nATOM     70  HB3 PHE A   4      26.150  35.487   9.414  0.00  0.00\\nATOM     71  HD1 PHE A   4      23.925  33.298   7.449  0.00  0.00\\nATOM     72  HD2 PHE A   4      26.865  36.396   7.325  0.00  0.00\\nATOM     73  HE1 PHE A   4      23.382  33.716   5.074  0.00  0.00\\nATOM     74  HE2 PHE A   4      26.323  36.819   4.950  0.00  0.00\\nATOM     75  HZ  PHE A   4      24.581  35.477   3.824  0.00  0.00\\nATOM     76  N   VAL A   5      28.260  33.943  11.096  0.00  0.00\\nATOM     77  CA  VAL A   5      28.605  33.965  12.503  0.00  0.00\\nATOM     78  C   VAL A   5      28.638  35.461  12.900  0.00  0.00\\nATOM     79  O   VAL A   5      29.522  36.103  12.320  0.00  0.00\\nATOM     80  CB  VAL A   5      29.975  33.328  12.801  0.00  0.00\\nATOM     81  CG1 VAL A   5      30.284  33.399  14.289  0.00  0.00\\nATOM     82  CG2 VAL A   5      29.992  31.886  12.315  0.00  0.00\\nATOM     83  H   VAL A   5      28.880  34.382  10.431  0.00  0.00\\nATOM     84  HA  VAL A   5      27.849  33.405  13.054  0.00  0.00\\nATOM     85  HB  VAL A   5      30.749  33.895  12.284  0.00  0.00\\nATOM     86 HG11 VAL A   5      31.256  32.945  14.481  0.00  0.00\\nATOM     87 HG12 VAL A   5      30.303  34.442  14.606  0.00  0.00\\nATOM     88 HG13 VAL A   5      29.517  32.863  14.846  0.00  0.00\\nATOM     89 HG21 VAL A   5      30.964  31.442  12.528  0.00  0.00\\nATOM     90 HG22 VAL A   5      29.214  31.320  12.828  0.00  0.00\\nATOM     91 HG23 VAL A   5      29.810  31.862  11.241  0.00  0.00\\nATOM     92  N   LYS A   6      27.751  35.867  13.740  0.00  0.00\\nATOM     93  CA  LYS A   6      27.691  37.315  14.143  0.00  0.00\\nATOM     94  C   LYS A   6      28.469  37.475  15.420  0.00  0.00\\nATOM     95  O   LYS A   6      28.213  36.753  16.411  0.00  0.00\\nATOM     96  CB  LYS A   6      26.254  37.801  14.338  0.00  0.00\\nATOM     97  CG  LYS A   6      26.131  39.283  14.667  0.00  0.00\\nATOM     98  CD  LYS A   6      24.673  39.701  14.795  0.00  0.00\\nATOM     99  CE  LYS A   6      24.549  41.178  15.138  0.00  0.00\\nATOM    100  NZ  LYS A   6      23.128  41.602  15.266  0.00  0.00\\nATOM    101  H   LYS A   6      27.087  35.218  14.137  0.00  0.00\\nATOM    102  HA  LYS A   6      28.141  37.914  13.350  0.00  0.00\\nATOM    103  HB2 LYS A   6      25.679  37.611  13.432  0.00  0.00\\nATOM    104  HB3 LYS A   6      25.786  37.239  15.147  0.00  0.00\\nATOM    105  HG2 LYS A   6      26.643  39.491  15.607  0.00  0.00\\nATOM    106  HG3 LYS A   6      26.601  39.871  13.880  0.00  0.00\\nATOM    107  HD2 LYS A   6      24.156  39.511  13.853  0.00  0.00\\nATOM    108  HD3 LYS A   6      24.194  39.115  15.578  0.00  0.00\\nATOM    109  HE2 LYS A   6      25.060  41.377  16.079  0.00  0.00\\nATOM    110  HE3 LYS A   6      25.023  41.775  14.359  0.00  0.00\\nATOM    111  HZ1 LYS A   6      23.088  42.586  15.493  0.00  0.00\\nATOM    112  HZ2 LYS A   6      22.648  41.439  14.392  0.00  0.00\\nATOM    113  HZ3 LYS A   6      22.682  41.070  15.999  0.00  0.00\\nATOM    114  N   THR A   7      29.426  38.430  15.446  0.00  0.00\\nATOM    115  CA  THR A   7      30.225  38.643  16.662  0.00  0.00\\nATOM    116  C   THR A   7      29.664  39.839  17.434  0.00  0.00\\nATOM    117  O   THR A   7      28.850  40.565  16.859  0.00  0.00\\nATOM    118  CB  THR A   7      31.712  38.885  16.343  0.00  0.00\\nATOM    119  OG1 THR A   7      31.873  40.183  15.757  0.00  0.00\\nATOM    120  CG2 THR A   7      32.229  37.830  15.377  0.00  0.00\\nATOM    121  H   THR A   7      29.602  39.005  14.635  0.00  0.00\\nATOM    122  HA  THR A   7      30.152  37.751  17.284  0.00  0.00\\nATOM    123  HB  THR A   7      32.293  38.842  17.264  0.00  0.00\\nATOM    124  HG1 THR A   7      32.800  40.332  15.559  0.00  0.00\\nATOM    125 HG21 THR A   7      33.281  38.016  15.163  0.00  0.00\\nATOM    126 HG22 THR A   7      32.118  36.842  15.824  0.00  0.00\\nATOM    127 HG23 THR A   7      31.657  37.874  14.451  0.00  0.00\\nATOM    128  N   LEU A   8      30.132  40.069  18.642  0.00  0.00\\nATOM    129  CA  LEU A   8      29.607  41.180  19.467  0.00  0.00\\nATOM    130  C   LEU A   8      30.075  42.538  18.984  0.00  0.00\\nATOM    131  O   LEU A   8      29.586  43.570  19.483  0.00  0.00\\nATOM    132  CB  LEU A   8      30.031  40.976  20.927  0.00  0.00\\nATOM    133  CG  LEU A   8      29.430  39.751  21.629  0.00  0.00\\nATOM    134  CD1 LEU A   8      30.037  39.613  23.018  0.00  0.00\\nATOM    135  CD2 LEU A   8      27.918  39.901  21.706  0.00  0.00\\nATOM    136  H   LEU A   8      30.862  39.480  19.017  0.00  0.00\\nATOM    137  HA  LEU A   8      28.528  41.234  19.328  0.00  0.00\\nATOM    138  HB2 LEU A   8      31.115  40.880  20.964  0.00  0.00\\nATOM    139  HB3 LEU A   8      29.745  41.859  21.499  0.00  0.00\\nATOM    140  HG  LEU A   8      29.677  38.851  21.066  0.00  0.00\\nATOM    141 HD11 LEU A   8      29.610  38.743  23.517  0.00  0.00\\nATOM    142 HD12 LEU A   8      31.117  39.488  22.933  0.00  0.00\\nATOM    143 HD13 LEU A   8      29.820  40.508  23.601  0.00  0.00\\nATOM    144 HD21 LEU A   8      27.490  39.030  22.204  0.00  0.00\\nATOM    145 HD22 LEU A   8      27.669  40.800  22.270  0.00  0.00\\nATOM    146 HD23 LEU A   8      27.508  39.980  20.698  0.00  0.00\\nATOM    147  N   THR A   9      30.991  42.571  17.998  0.00  0.00\\nATOM    148  CA  THR A   9      31.422  43.940  17.553  0.00  0.00\\nATOM    149  C   THR A   9      30.755  44.351  16.277  0.00  0.00\\nATOM    150  O   THR A   9      31.207  45.268  15.566  0.00  0.00\\nATOM    151  CB  THR A   9      32.979  43.918  17.445  0.00  0.00\\nATOM    152  OG1 THR A   9      33.174  43.067  16.265  0.00  0.00\\nATOM    153  CG2 THR A   9      33.657  43.319  18.672  0.00  0.00\\nATOM    154  H   THR A   9      31.394  41.759  17.552  0.00  0.00\\nATOM    155  HA  THR A   9      31.106  44.664  18.305  0.00  0.00\\nATOM    156  HB  THR A   9      33.350  44.936  17.323  0.00  0.00\\nATOM    157  HG1 THR A   9      33.034  43.587  15.470  0.00  0.00\\nATOM    158 HG21 THR A   9      34.738  43.333  18.534  0.00  0.00\\nATOM    159 HG22 THR A   9      33.396  43.904  19.554  0.00  0.00\\nATOM    160 HG23 THR A   9      33.323  42.291  18.807  0.00  0.00\\nATOM    161  N   GLY A  10      29.721  43.673  15.885  0.00  0.00\\nATOM    162  CA  GLY A  10      28.978  43.960  14.678  0.00  0.00\\nATOM    163  C   GLY A  10      29.604  43.507  13.393  0.00  0.00\\nATOM    164  H   GLY A  10      29.431  42.902  16.470  0.00  0.00\\nATOM    165  HA2 GLY A  10      27.994  43.494  14.737  0.00  0.00\\nATOM    166  HA3 GLY A  10      28.820  45.035  14.595  0.00  0.00\\nATOM    167  O   GLY A  10      29.219  43.981  12.301  0.00  0.00\\nATOM    168  OXT GLY A  10      30.479  42.686  13.409  0.00  0.00\\nTER\\nENDMDL\\n\",\"pdb\");\n",
       "\tviewer_17885205940280738.setBackgroundColor(\"white\");\n",
       "\tviewer_17885205940280738.setStyle({},{\"cartoon\": {\"color\": \"spectrum\"}});\n",
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       "\tviewer_17885205940280738.setHoverable({},true,\"function(atom,viewer) {\\n        if(!atom.label) {\\n            atom.label = viewer.addLabel(\\n                atom.chain + ':' + atom.resn + '(' + atom.resi + '):' +\\n                atom.atom + '(idx' + atom.serial + ')',\\n                {position: atom, backgroundColor:\\\"white\\\", fontColor:\\\"black\\\"}\\n            );\\n        }\\n    }\",\"function(atom,viewer) {\\n        if(atom.label) {\\n            viewer.removeLabel(atom.label);\\n            delete atom.label;\\n        }\\n    }\");\n",
       "\tviewer_17885205940280738.zoomTo();\n",
       "viewer_17885205940280738.render();\n",
       "});\n",
       "</script>\n",
       "</section>\n",
       "  </div>\n",
       "</div>\n",
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      ],
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     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "expanded_task = PackerTask(pose_stack, palette)\n",
    "expanded_task.restrict_to_repacking()\n",
    "expanded_task.disable_packing_by_block_mask(~packing_region)\n",
    "expanded_task.add_conformer_sampler(\n",
    "    create_dunbrack_sampler_from_database(param_db, device)\n",
    ")\n",
    "expanded_task.add_conformer_sampler(FixedAAChiSampler())\n",
    "expanded_task.add_conformer_sampler(IncludeCurrentSampler())\n",
    "# Zero-based chi indices 0 and 1 map conceptually to Rosetta ex1 and ex2.\n",
    "expanded_task.or_expand_chi(0)\n",
    "expanded_task.or_expand_chi(1)\n",
    "\n",
    "torch.manual_seed(SEED)\n",
    "expanded_repacked_pose = pack_rotamers(\n",
    "    pose_stack, score_function, expanded_task\n",
    ")\n",
    "expanded_score = total_score(expanded_repacked_pose)\n",
    "\n",
    "# Keep this deliberately small. CUDA gets a second seeded outcome because\n",
    "# torch.manual_seed() controls its Philox stream; the CPU C RNG has no exposed\n",
    "# seed API, so repeating under a different torch seed would not be a controlled\n",
    "# replicate.\n",
    "sampling_outcome_rows = [\n",
    "    {\n",
    "        \"sampling\": \"standard\",\n",
    "        \"outcome\": 1,\n",
    "        \"weighted_score_units\": repacked_score,\n",
    "    },\n",
    "    {\n",
    "        \"sampling\": \"expanded χ1 + χ2\",\n",
    "        \"outcome\": 1,\n",
    "        \"weighted_score_units\": expanded_score,\n",
    "    },\n",
    "]\n",
    "if device.type == \"cuda\":\n",
    "    torch.manual_seed(SEED + 1)\n",
    "    standard_repeat_pose = pack_rotamers(pose_stack, score_function, repack_task)\n",
    "    torch.manual_seed(SEED + 1001)\n",
    "    expanded_repeat_pose = pack_rotamers(pose_stack, score_function, expanded_task)\n",
    "    sampling_outcome_rows.extend(\n",
    "        [\n",
    "            {\n",
    "                \"sampling\": \"standard\",\n",
    "                \"outcome\": 2,\n",
    "                \"weighted_score_units\": total_score(standard_repeat_pose),\n",
    "            },\n",
    "            {\n",
    "                \"sampling\": \"expanded χ1 + χ2\",\n",
    "                \"outcome\": 2,\n",
    "                \"weighted_score_units\": total_score(expanded_repeat_pose),\n",
    "            },\n",
    "        ]\n",
    "    )\n",
    "else:\n",
    "    print(\"CPU packing shown once per setting: torch seeds do not control C rand().\")\n",
    "sampling_outcome_frame = pd.DataFrame(sampling_outcome_rows)\n",
    "show_table(sampling_outcome_frame)\n",
    "sampling_outcome_summary = (\n",
    "    sampling_outcome_frame.groupby(\"sampling\", as_index=False)\n",
    "    .agg(\n",
    "        score_mean=(\"weighted_score_units\", \"mean\"),\n",
    "        score_min=(\"weighted_score_units\", \"min\"),\n",
    "        score_max=(\"weighted_score_units\", \"max\"),\n",
    "    )\n",
    ")\n",
    "sampling_outcome_summary[\"observed_range\"] = (\n",
    "    sampling_outcome_summary[\"score_max\"]\n",
    "    - sampling_outcome_summary[\"score_min\"]\n",
    ")\n",
    "show_table(sampling_outcome_summary)\n",
    "try:\n",
    "    display(\n",
    "        tmol.switchable_view(\n",
    "            {\n",
    "                \"standard rotamers\": repacked_pose,\n",
    "                \"expanded χ1 + χ2\": expanded_repacked_pose,\n",
    "            },\n",
    "            notes={\n",
    "                \"standard rotamers\": f\"outcome 1 weighted score {repacked_score:.3f}\",\n",
    "                \"expanded χ1 + χ2\": f\"outcome 1 weighted score {expanded_score:.3f}\",\n",
    "            },\n",
    "        )\n",
    "    )\n",
    "except ImportError as exc:\n",
    "    print(\"Interactive sampling comparison unavailable:\", exc)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "bec70da7",
   "metadata": {},
   "source": [
    "## Inspect deterministic candidate expansion\n",
    "\n",
    "Expanded chi sampling changes the discrete search space before annealing. The table below builds both rotamer sets explicitly and reports deterministic candidate counts at each packed position. A wrapped χ1-versus-χ2 plot then shows candidate geometry for one representative block without treating internal rotamer storage order as a physical coordinate.\n",
    "\n",
    "These torsions describe the candidate set, not a trajectory or score result: simulated annealing evaluates assignments stochastically and returns only the selected final conformation."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "id": "853aa1d0",
   "metadata": {},
   "outputs": [
    {
     "data": {
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",
      "text/plain": [
       "<Figure size 550x500 with 1 Axes>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "standard_rotamer_pose, standard_rotamers = build_rotamers(\n",
    "    pose_stack,\n",
    "    SetPackerTask.from_packer_task(repack_task),\n",
    "    pose_stack.packed_block_types.chem_db,\n",
    ")\n",
    "expanded_rotamer_pose, expanded_rotamers = build_rotamers(\n",
    "    pose_stack,\n",
    "    SetPackerTask.from_packer_task(expanded_task),\n",
    "    pose_stack.packed_block_types.chem_db,\n",
    ")\n",
    "\n",
    "rotamer_count_rows = []\n",
    "for block_index in range(2, 8):\n",
    "    block_type = pose_stack.block_type(0, block_index)\n",
    "    rotamer_count_rows.append(\n",
    "        {\n",
    "            \"block_index\": block_index,\n",
    "            \"residue\": block_type.name3,\n",
    "            \"standard_candidates\": int(\n",
    "                standard_rotamers.n_rots_for_block[0, block_index]\n",
    "            ),\n",
    "            \"expanded_candidates\": int(\n",
    "                expanded_rotamers.n_rots_for_block[0, block_index]\n",
    "            ),\n",
    "        }\n",
    "    )\n",
    "rotamer_count_frame = pd.DataFrame(rotamer_count_rows)\n",
    "rotamer_count_frame[\"additional_candidates\"] = (\n",
    "    rotamer_count_frame[\"expanded_candidates\"]\n",
    "    - rotamer_count_frame[\"standard_candidates\"]\n",
    ")\n",
    "show_table(rotamer_count_frame)\n",
    "\n",
    "\n",
    "def named_chi_frame(label, rotamer_pose, rotamer_set, block_index):\n",
    "    rows = []\n",
    "    n_rotamers = int(rotamer_set.n_rots_for_block[0, block_index])\n",
    "    rotamer_offset = int(rotamer_set.rot_offset_for_block[0, block_index])\n",
    "    for local_rotamer in range(n_rotamers):\n",
    "        rotamer_index = rotamer_offset + local_rotamer\n",
    "        block_type_index = int(rotamer_set.block_type_ind_for_rot[rotamer_index])\n",
    "        block_type = rotamer_pose.packed_block_types.active_block_types[\n",
    "            block_type_index\n",
    "        ]\n",
    "        coordinate_offset = int(rotamer_set.coord_offset_for_rot[rotamer_index])\n",
    "        row = {\"sampling\": label, \"rotamer\": local_rotamer}\n",
    "        for torsion_index in block_type.sc_torsions:\n",
    "            atom_indices = block_type.ordered_torsions[torsion_index, :, 0]\n",
    "            if np.any(atom_indices < 0):\n",
    "                continue\n",
    "            coordinates = rotamer_set.coords[\n",
    "                coordinate_offset\n",
    "                + torch.as_tensor(atom_indices, dtype=torch.long, device=device)\n",
    "            ].double()\n",
    "            radians = coord_dihedrals(\n",
    "                coordinates[0:1],\n",
    "                coordinates[1:2],\n",
    "                coordinates[2:3],\n",
    "                coordinates[3:4],\n",
    "            )[0]\n",
    "            torsion_name = block_type.torsions[torsion_index].name\n",
    "            row[f\"{torsion_name}_degrees\"] = float(torch.rad2deg(radians).cpu())\n",
    "        rows.append(row)\n",
    "    return pd.DataFrame(rows)\n",
    "\n",
    "\n",
    "# Block 5 is LYS in this 1UBQ slice and therefore demonstrates both chi1 and chi2.\n",
    "rotamer_inspection_block = 5\n",
    "rotamer_geometry_frame = pd.concat(\n",
    "    [\n",
    "        named_chi_frame(\n",
    "            \"standard\",\n",
    "            standard_rotamer_pose,\n",
    "            standard_rotamers,\n",
    "            rotamer_inspection_block,\n",
    "        ),\n",
    "        named_chi_frame(\n",
    "            \"expanded\",\n",
    "            expanded_rotamer_pose,\n",
    "            expanded_rotamers,\n",
    "            rotamer_inspection_block,\n",
    "        ),\n",
    "    ],\n",
    "    ignore_index=True,\n",
    ")\n",
    "show_table(rotamer_geometry_frame)\n",
    "\n",
    "chi1_column = next(\n",
    "    (\n",
    "        column\n",
    "        for column in rotamer_geometry_frame.columns\n",
    "        if column.lower().startswith(\"chi1\") and column.endswith(\"_degrees\")\n",
    "    ),\n",
    "    None,\n",
    ")\n",
    "chi2_column = next(\n",
    "    (\n",
    "        column\n",
    "        for column in rotamer_geometry_frame.columns\n",
    "        if column.lower().startswith(\"chi2\") and column.endswith(\"_degrees\")\n",
    "    ),\n",
    "    None,\n",
    ")\n",
    "if chi1_column is not None and chi2_column is not None:\n",
    "    wrapped_geometry = rotamer_geometry_frame.copy()\n",
    "    wrapped_geometry[\"chi1_wrapped_degrees\"] = (\n",
    "        (wrapped_geometry[chi1_column] + 180.0) % 360.0 - 180.0\n",
    "    )\n",
    "    wrapped_geometry[\"chi2_wrapped_degrees\"] = (\n",
    "        (wrapped_geometry[chi2_column] + 180.0) % 360.0 - 180.0\n",
    "    )\n",
    "    fig, ax = plt.subplots(figsize=(5.5, 5.0))\n",
    "    for label, values in wrapped_geometry.groupby(\"sampling\"):\n",
    "        ax.scatter(\n",
    "            values[\"chi1_wrapped_degrees\"],\n",
    "            values[\"chi2_wrapped_degrees\"],\n",
    "            label=label,\n",
    "            alpha=0.7,\n",
    "        )\n",
    "    ax.set(\n",
    "        xlim=(-180, 180),\n",
    "        ylim=(-180, 180),\n",
    "        xlabel=\"wrapped χ1 (degrees)\",\n",
    "        ylabel=\"wrapped χ2 (degrees)\",\n",
    "        title=f\"Candidate side-chain geometry at block {rotamer_inspection_block}\",\n",
    "    )\n",
    "    ax.set_aspect(\"equal\", adjustable=\"box\")\n",
    "    ax.grid(alpha=0.3)\n",
    "    ax.legend()\n",
    "    plt.tight_layout()\n",
    "    plt.show()"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "ae1831f7",
   "metadata": {},
   "source": [
    "## Deliberately small local-shell mutation scan\n",
    "\n",
    "> **Inspected helper, not a built-in protocol.** `PackerTask` currently has no public method that restricts one position to one amino-acid identity. The helper below only turns `per_block_is_block_type_allowed` entries from `True` to `False`, preserving the task's monotonic-mask contract. Its field use was inspected against `tmol/pack/packer_task.py` and packer tests.\n",
    "\n",
    "Every non-target position is restricted to its original block type. At the target, only considered block types with the requested `name3` remain. Repacking is additionally restricted to the target plus blocks selected by `compute_block_adjacency()`: centroid distance less than the sum of both furthest-atom radii plus the helper's default 5 Å constant. This adapts the local-neighborhood experimental design used by Rosetta TaskOperations without claiming a `NeighborhoodResidueSelector` API in TMol.\n",
    "\n",
    "The scan uses two jointly batched stochastic outcomes per identity. Identity distributions are summarized independently; differences are computed between their means, never by arbitrarily pairing WT and mutant outcomes. Two outcomes are enough to illustrate the analysis but not convergence, and observed spread may be exactly zero—particularly for a small CPU run. The WT row is a **repacked WT**, and every reported difference is a score-function delta, not a ΔΔG."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "id": "09bed27d",
   "metadata": {},
   "outputs": [],
   "source": [
    "def restrict_batched_substitutions(task, block_index, name3_by_pose):\n",
    "    \"\"\"Keep the original sequence except for one requested identity per pose.\"\"\"\n",
    "    if len(name3_by_pose) != task.per_block_is_block_type_allowed.shape[0]:\n",
    "        raise ValueError(\"Provide exactly one requested identity per pose\")\n",
    "    considered = task.per_block_considered_block_types\n",
    "    keep = task.per_block_considered_block_types_is_orig.detach().clone()\n",
    "    for pose_index, name3 in enumerate(name3_by_pose):\n",
    "        target_considered = (\n",
    "            considered[pose_index, block_index].detach().cpu().tolist()\n",
    "        )\n",
    "        target_keep = torch.tensor(\n",
    "            [\n",
    "                index >= 0 and task.pbt.active_block_types[index].name3 == name3\n",
    "                for index in target_considered\n",
    "            ],\n",
    "            dtype=torch.bool,\n",
    "            device=task.device,\n",
    "        )\n",
    "        if not torch.any(target_keep):\n",
    "            raise ValueError(f\"{name3!r} is not considered at block {block_index}\")\n",
    "        keep[pose_index, block_index] = target_keep\n",
    "    task.per_block_is_block_type_allowed = torch.logical_and(\n",
    "        task.per_block_is_block_type_allowed, keep\n",
    "    )\n",
    "    return task\n",
    "\n",
    "\n",
    "def add_standard_samplers(task):\n",
    "    task.add_conformer_sampler(\n",
    "        create_dunbrack_sampler_from_database(param_db, device)\n",
    "    )\n",
    "    task.add_conformer_sampler(FixedAAChiSampler())\n",
    "    task.add_conformer_sampler(IncludeCurrentSampler())\n",
    "    return task"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "id": "a43ea8b3",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "mutation target block 4 (A:5); local repacking shell has 7 blocks: A:2, A:3, A:4, A:5, A:6, A:7, A:8\n"
     ]
    },
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       "<tr><td style=\"border:1px solid #ddd;padding:8px\">1</td><td style=\"border:1px solid #ddd;padding:8px\">4</td><td style=\"border:1px solid #ddd;padding:8px\">A:5</td><td style=\"border:1px solid #ddd;padding:8px\">ALA</td><td style=\"border:1px solid #ddd;padding:8px\">ALA</td><td style=\"border:1px solid #ddd;padding:8px\">1</td><td style=\"border:1px solid #ddd;padding:8px\">20.799278</td><td style=\"border:1px solid #ddd;padding:8px\">0.875172</td><td style=\"border:1px solid #ddd;padding:8px\">0.255724</td></tr>\n",
       "<tr><td style=\"border:1px solid #ddd;padding:8px\">2</td><td style=\"border:1px solid #ddd;padding:8px\">4</td><td style=\"border:1px solid #ddd;padding:8px\">A:5</td><td style=\"border:1px solid #ddd;padding:8px\">LEU</td><td style=\"border:1px solid #ddd;padding:8px\">LEU</td><td style=\"border:1px solid #ddd;padding:8px\">1</td><td style=\"border:1px solid #ddd;padding:8px\">17.877546</td><td style=\"border:1px solid #ddd;padding:8px\">-1.570885</td><td style=\"border:1px solid #ddd;padding:8px\">0.255724</td></tr>\n",
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       "      <th style=\"border:1px solid #ddd;padding:8px\">variant</th>\n",
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       "      <th style=\"border:1px solid #ddd;padding:8px\">target_to_rest_min</th>\n",
       "      <th style=\"border:1px solid #ddd;padding:8px\">target_to_rest_max</th>\n",
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       "      <th style=\"border:1px solid #ddd;padding:8px\">target_to_rest_range</th>\n",
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       "      <th style=\"border:1px solid #ddd;padding:8px\">target_to_rest_difference_of_means_vs_repacked_wt_non_ddg</th>\n",
       "    </tr></thead><tbody>\n",
       "<tr><td style=\"border:1px solid #ddd;padding:8px\">3</td><td style=\"border:1px solid #ddd;padding:8px\">VAL</td><td style=\"border:1px solid #ddd;padding:8px\">VAL (repacked WT)</td><td style=\"border:1px solid #ddd;padding:8px\">17.260197</td><td style=\"border:1px solid #ddd;padding:8px\">17.260197</td><td style=\"border:1px solid #ddd;padding:8px\">17.260197</td><td style=\"border:1px solid #ddd;padding:8px\">-2.161099</td><td style=\"border:1px solid #ddd;padding:8px\">-2.161099</td><td style=\"border:1px solid #ddd;padding:8px\">-2.161099</td><td style=\"border:1px solid #ddd;padding:8px\">0.0</td><td style=\"border:1px solid #ddd;padding:8px\">0.0</td><td style=\"border:1px solid #ddd;padding:8px\">0.000000</td><td style=\"border:1px solid #ddd;padding:8px\">0.000000</td></tr>\n",
       "<tr><td style=\"border:1px solid #ddd;padding:8px\">1</td><td style=\"border:1px solid #ddd;padding:8px\">LEU</td><td style=\"border:1px solid #ddd;padding:8px\">LEU</td><td style=\"border:1px solid #ddd;padding:8px\">17.877546</td><td style=\"border:1px solid #ddd;padding:8px\">17.877546</td><td style=\"border:1px solid #ddd;padding:8px\">17.877546</td><td style=\"border:1px solid #ddd;padding:8px\">-1.570885</td><td style=\"border:1px solid #ddd;padding:8px\">-1.570885</td><td style=\"border:1px solid #ddd;padding:8px\">-1.570885</td><td style=\"border:1px solid #ddd;padding:8px\">0.0</td><td style=\"border:1px solid #ddd;padding:8px\">0.0</td><td style=\"border:1px solid #ddd;padding:8px\">0.617350</td><td style=\"border:1px solid #ddd;padding:8px\">0.590215</td></tr>\n",
       "<tr><td style=\"border:1px solid #ddd;padding:8px\">2</td><td style=\"border:1px solid #ddd;padding:8px\">PHE</td><td style=\"border:1px solid #ddd;padding:8px\">PHE</td><td style=\"border:1px solid #ddd;padding:8px\">19.630051</td><td style=\"border:1px solid #ddd;padding:8px\">19.630051</td><td style=\"border:1px solid #ddd;padding:8px\">19.630051</td><td style=\"border:1px solid #ddd;padding:8px\">-0.873822</td><td style=\"border:1px solid #ddd;padding:8px\">-0.873822</td><td style=\"border:1px solid #ddd;padding:8px\">-0.873822</td><td style=\"border:1px solid #ddd;padding:8px\">0.0</td><td style=\"border:1px solid #ddd;padding:8px\">0.0</td><td style=\"border:1px solid #ddd;padding:8px\">2.369854</td><td style=\"border:1px solid #ddd;padding:8px\">1.287277</td></tr>\n",
       "<tr><td style=\"border:1px solid #ddd;padding:8px\">0</td><td style=\"border:1px solid #ddd;padding:8px\">ALA</td><td style=\"border:1px solid #ddd;padding:8px\">ALA</td><td style=\"border:1px solid #ddd;padding:8px\">20.799278</td><td style=\"border:1px solid #ddd;padding:8px\">20.799278</td><td style=\"border:1px solid #ddd;padding:8px\">20.799278</td><td style=\"border:1px solid #ddd;padding:8px\">0.875172</td><td style=\"border:1px solid #ddd;padding:8px\">0.875172</td><td style=\"border:1px solid #ddd;padding:8px\">0.875172</td><td style=\"border:1px solid #ddd;padding:8px\">0.0</td><td style=\"border:1px solid #ddd;padding:8px\">0.0</td><td style=\"border:1px solid #ddd;padding:8px\">3.539082</td><td style=\"border:1px solid #ddd;padding:8px\">3.036271</td></tr>\n",
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       "          \"table_html\": \"<table><thead>\\n    <tr style=\\\"text-align: right;\\\">\\n      <th></th>\\n      <th>variant</th>\\n      <th>state</th>\\n      <th>total_score_mean</th>\\n      <th>total_score_min</th>\\n      <th>total_score_max</th>\\n      <th>target_to_rest_mean</th>\\n      <th>target_to_rest_min</th>\\n      <th>target_to_rest_max</th>\\n      <th>total_score_range</th>\\n      <th>target_to_rest_range</th>\\n      <th>total_difference_of_means_vs_repacked_wt_non_ddg</th>\\n      <th>target_to_rest_difference_of_means_vs_repacked_wt_non_ddg</th>\\n    </tr>\\n  </thead></table>\",\n",
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   ],
   "source": [
    "target_block = 4\n",
    "original_type_index = int(pose_stack.block_type_ind64[0, target_block].item())\n",
    "original_name3 = pose_stack.packed_block_types.active_block_types[\n",
    "    original_type_index\n",
    "].name3\n",
    "variants = list(dict.fromkeys([original_name3, \"ALA\", \"LEU\", \"PHE\"]))\n",
    "target_label = (\n",
    "    f\"{pose_stack.pdb_info.chain_labels[0, target_block]}:\"\n",
    "    f\"{pose_stack.pdb_info.residue_labels[0, target_block]}\"\n",
    "    f\"{pose_stack.pdb_info.residue_insertion_codes[0, target_block]}\"\n",
    ")\n",
    "\n",
    "# Build one explicit local shell with the existing score_utils geometry helpers.\n",
    "block_centroids, block_radii = compute_block_centroids_and_furthest_dist(pose_stack)\n",
    "block_adjacency = compute_block_adjacency(block_centroids, block_radii)\n",
    "mutation_shell = block_adjacency[:, target_block].clone()\n",
    "mutation_shell[:, target_block] = True\n",
    "shell_block_indices = torch.nonzero(mutation_shell[0], as_tuple=False).flatten().tolist()\n",
    "shell_labels = [\n",
    "    f\"{pose_stack.pdb_info.chain_labels[0, block]}:\"\n",
    "    f\"{pose_stack.pdb_info.residue_labels[0, block]}\"\n",
    "    f\"{pose_stack.pdb_info.residue_insertion_codes[0, block]}\"\n",
    "    for block in shell_block_indices\n",
    "]\n",
    "print(\n",
    "    f\"mutation target block {target_block} ({target_label}); local repacking shell \"\n",
    "    f\"has {len(shell_block_indices)} blocks: {', '.join(shell_labels)}\"\n",
    ")\n",
    "\n",
    "\n",
    "def target_to_rest_score(pose, block_index):\n",
    "    scorer = score_function.render_block_pair_scoring_module(pose)\n",
    "    matrix = scorer(pose.coords, sum_terms=True, apply_weights=True)[0]\n",
    "    partners = torch.ones(matrix.shape[0], dtype=torch.bool, device=matrix.device)\n",
    "    partners[block_index] = False\n",
    "    return float(\n",
    "        (matrix[block_index, partners].sum() + matrix[partners, block_index].sum())\n",
    "        .detach()\n",
    "        .cpu()\n",
    "    )\n",
    "\n",
    "\n",
    "# CUDA uses two seeded outcomes per identity. On CPU, show one batch member\n",
    "# per identity because torch.manual_seed() does not control the C RNG.\n",
    "n_scan_outcomes = 2 if device.type == \"cuda\" else 1\n",
    "scan_requests = [\n",
    "    (outcome, variant)\n",
    "    for outcome in range(1, n_scan_outcomes + 1)\n",
    "    for variant in variants\n",
    "]\n",
    "requested_variants = [variant for _, variant in scan_requests]\n",
    "mutation_batch = PoseStackBuilder.from_poses(\n",
    "    [pose_stack] * len(scan_requests), device\n",
    ")\n",
    "mutation_scan_task = PackerTask(mutation_batch, PackerPalette())\n",
    "restrict_batched_substitutions(\n",
    "    mutation_scan_task, target_block, requested_variants\n",
    ")\n",
    "mutation_shell_batch = mutation_shell.expand(len(scan_requests), -1).clone()\n",
    "mutation_scan_task.disable_packing_by_block_mask(~mutation_shell_batch)\n",
    "add_standard_samplers(mutation_scan_task)\n",
    "\n",
    "torch.manual_seed(SEED)  # Controls CUDA annealing, not the CPU C rand() stream.\n",
    "if device.type == \"cuda\":\n",
    "    torch.cuda.synchronize()\n",
    "scan_start = perf_counter()\n",
    "packed_mutation_batch = pack_rotamers(\n",
    "    mutation_batch, score_function, mutation_scan_task\n",
    ")\n",
    "if device.type == \"cuda\":\n",
    "    torch.cuda.synchronize()\n",
    "scan_seconds = perf_counter() - scan_start\n",
    "\n",
    "scan_rows = []\n",
    "variant_poses = {}\n",
    "for pose_index, (outcome, variant) in enumerate(scan_requests):\n",
    "    packed_variant = packed_mutation_batch.split(pose_index)\n",
    "    state_label = f\"{variant} (repacked WT)\" if variant == original_name3 else variant\n",
    "    if outcome == 1:\n",
    "        variant_poses[state_label] = packed_variant\n",
    "\n",
    "    # The monotonic identity helper must leave every non-target identity unchanged.\n",
    "    for block_index in range(packed_variant.max_n_blocks):\n",
    "        if block_index != target_block:\n",
    "            assert (\n",
    "                packed_variant.block_type(0, block_index).name3\n",
    "                == pose_stack.block_type(0, block_index).name3\n",
    "            )\n",
    "\n",
    "    scan_rows.append(\n",
    "        {\n",
    "            \"block_index\": target_block,\n",
    "            \"pdb_label\": target_label,\n",
    "            \"variant\": variant,\n",
    "            \"state\": state_label,\n",
    "            \"outcome\": outcome,\n",
    "            \"total_weighted_score_units\": total_score(packed_variant),\n",
    "            \"target_to_rest_weighted_score_units\": target_to_rest_score(\n",
    "                packed_variant, target_block\n",
    "            ),\n",
    "            \"shared_batch_seconds\": scan_seconds,\n",
    "        }\n",
    "    )\n",
    "\n",
    "scan_frame = pd.DataFrame(scan_rows)\n",
    "show_table(scan_frame.sort_values([\"variant\", \"outcome\"]))\n",
    "\n",
    "# Summarize each identity independently, then compare distribution means.\n",
    "scan_summary = (\n",
    "    scan_frame.groupby([\"variant\", \"state\"], as_index=False)\n",
    "    .agg(\n",
    "        total_score_mean=(\"total_weighted_score_units\", \"mean\"),\n",
    "        total_score_min=(\"total_weighted_score_units\", \"min\"),\n",
    "        total_score_max=(\"total_weighted_score_units\", \"max\"),\n",
    "        target_to_rest_mean=(\"target_to_rest_weighted_score_units\", \"mean\"),\n",
    "        target_to_rest_min=(\"target_to_rest_weighted_score_units\", \"min\"),\n",
    "        target_to_rest_max=(\"target_to_rest_weighted_score_units\", \"max\"),\n",
    "    )\n",
    ")\n",
    "scan_summary[\"total_score_range\"] = (\n",
    "    scan_summary[\"total_score_max\"] - scan_summary[\"total_score_min\"]\n",
    ")\n",
    "scan_summary[\"target_to_rest_range\"] = (\n",
    "    scan_summary[\"target_to_rest_max\"] - scan_summary[\"target_to_rest_min\"]\n",
    ")\n",
    "wt_summary = scan_summary.loc[scan_summary[\"variant\"] == original_name3].iloc[0]\n",
    "scan_summary[\"total_difference_of_means_vs_repacked_wt_non_ddg\"] = (\n",
    "    scan_summary[\"total_score_mean\"] - wt_summary[\"total_score_mean\"]\n",
    ")\n",
    "scan_summary[\"target_to_rest_difference_of_means_vs_repacked_wt_non_ddg\"] = (\n",
    "    scan_summary[\"target_to_rest_mean\"] - wt_summary[\"target_to_rest_mean\"]\n",
    ")\n",
    "scan_summary = scan_summary.sort_values(\n",
    "    \"total_difference_of_means_vs_repacked_wt_non_ddg\"\n",
    ")\n",
    "show_table(scan_summary)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "id": "702d9cbe",
   "metadata": {
    "tags": [
     "collapse-code"
    ]
   },
   "outputs": [
    {
     "data": {
      "image/png": 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",
      "text/plain": [
       "<Figure size 800x420 with 1 Axes>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Orange: local repacking shell (7 blocks); mutation target: block 4 (A:5).\n"
     ]
    },
    {
     "data": {
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null;\nvar warn = document.getElementById(\"3dmolwarning_17885205947942646\");\nif(warn) {\n    warn.parentNode.removeChild(warn);\n}\n$3Dmolpromise.then(function() {\nviewer_17885205947942646 = $3Dmol.createViewer(document.getElementById(\"3dmolviewer_17885205947942646\"),{backgroundColor:\"white\"});\nviewer_17885205947942646.zoomTo();\n\tviewer_17885205947942646.addModel(\"MODEL 1\\nATOM      1  N   MET A   1      27.340  24.430   2.614  0.00  0.00\\nATOM      2  CA  MET A   1      26.266  25.413   2.842  0.00  0.00\\nATOM      3  C   MET A   1      26.913  26.639   3.531  0.00  0.00\\nATOM      4  O   MET A   1      27.886  26.463   4.263  0.00  0.00\\nATOM      5  CB  MET A   1      25.112  24.880   3.649  0.00  0.00\\nATOM      6  CG  MET A   1      25.353  24.860   5.134  0.00  0.00\\nATOM      7  SD  MET A   1      23.930  23.959   5.904  0.00  0.00\\nATOM      8  CE  MET A   1      24.447  23.984   7.620  0.00  0.00\\nATOM      9  HA  MET A   1      25.864  25.717   1.875  0.00  0.00\\nATOM     10  HB2 MET A   1      24.227  25.486   3.461  0.00  0.00\\nATOM     11  HB3 MET A   1      24.886  23.861   3.332  0.00  0.00\\nATOM     12  HG2 MET A   1      26.298  24.359   5.342  0.00  0.00\\nATOM     13  HG3 MET A   1      25.421  25.882   5.505  0.00  0.00\\nATOM     14  HE1 MET A   1      23.700  23.479   8.233  0.00  0.00\\nATOM     15  HE2 MET A   1      25.405  23.472   7.719  0.00  0.00\\nATOM     16  HE3 MET A   1      24.552  25.017   7.954  0.00  0.00\\nATOM     17  H1  MET A   1      26.961  23.619   2.168  0.00  0.00\\nATOM     18  H2  MET A   1      28.043  24.834   2.029  0.00  0.00\\nATOM     19  H3  MET A   1      27.746  24.169   3.490  0.00  0.00\\nATOM     20  N   GLN A   2      26.335  27.770   3.258  0.00  0.00\\nATOM     21  CA  GLN A   2      26.850  29.021   3.898  0.00  0.00\\nATOM     22  C   GLN A   2      26.100  29.253   5.202  0.00  0.00\\nATOM     23  O   GLN A   2      24.865  29.024   5.330  0.00  0.00\\nATOM     24  CB  GLN A   2      26.733  30.148   2.905  0.00  0.00\\nATOM     25  CG  GLN A   2      26.882  31.546   3.409  0.00  0.00\\nATOM     26  CD  GLN A   2      26.786  32.562   2.270  0.00  0.00\\nATOM     27  OE1 GLN A   2      25.705  32.805   1.726  0.00  0.00\\nATOM     28  NE2 GLN A   2      27.919  33.155   1.910  0.00  0.00\\nATOM     29  H   GLN A   2      25.549  27.828   2.627  0.00  0.00\\nATOM     30  HA  GLN A   2      27.898  28.870   4.158  0.00  0.00\\nATOM     31  HB2 GLN A   2      27.488  30.028   2.128  0.00  0.00\\nATOM     32  HB3 GLN A   2      25.757  30.107   2.422  0.00  0.00\\nATOM     33  HG2 GLN A   2      26.089  31.748   4.128  0.00  0.00\\nATOM     34  HG3 GLN A   2      27.856  31.647   3.889  0.00  0.00\\nATOM     35 HE21 GLN A   2      28.773  32.928   2.378  0.00  0.00\\nATOM     36 HE22 GLN A   2      27.918  33.829   1.171  0.00  0.00\\nATOM     37  N   ILE A   3      26.849  29.656   6.217  0.00  0.00\\nATOM     38  CA  ILE A   3      26.235  30.058   7.497  0.00  0.00\\nATOM     39  C   ILE A   3      26.882  31.428   7.862  0.00  0.00\\nATOM     40  O   ILE A   3      27.906  31.711   7.264  0.00  0.00\\nATOM     41  CB  ILE A   3      26.344  29.050   8.645  0.00  0.00\\nATOM     42  CG1 ILE A   3      27.810  28.748   8.999  0.00  0.00\\nATOM     43  CG2 ILE A   3      25.491  27.771   8.287  0.00  0.00\\nATOM     44  CD1 ILE A   3      27.967  28.087  10.417  0.00  0.00\\nATOM     45  H   ILE A   3      27.854  29.691   6.121  0.00  0.00\\nATOM     46  HA  ILE A   3      25.168  30.210   7.336  0.00  0.00\\nATOM     47  HB  ILE A   3      25.964  29.500   9.562  0.00  0.00\\nATOM     48 HG12 ILE A   3      28.235  28.081   8.250  0.00  0.00\\nATOM     49 HG13 ILE A   3      28.388  29.672   8.977  0.00  0.00\\nATOM     50 HG21 ILE A   3      25.563  27.047   9.098  0.00  0.00\\nATOM     51 HG22 ILE A   3      24.449  28.056   8.147  0.00  0.00\\nATOM     52 HG23 ILE A   3      25.872  27.325   7.368  0.00  0.00\\nATOM     53 HD11 ILE A   3      29.022  27.896  10.615  0.00  0.00\\nATOM     54 HD12 ILE A   3      27.571  28.760  11.178  0.00  0.00\\nATOM     55 HD13 ILE A   3      27.418  27.147  10.443  0.00  0.00\\nATOM     56  N   PHE A   4      26.214  32.097   8.771  0.00  0.00\\nATOM     57  CA  PHE A   4      26.772  33.436   9.197  0.00  0.00\\nATOM     58  C   PHE A   4      27.151  33.362  10.650  0.00  0.00\\nATOM     59  O   PHE A   4      26.350  32.778  11.395  0.00  0.00\\nATOM     60  CB  PHE A   4      25.695  34.498   8.946  0.00  0.00\\nATOM     61  CG  PHE A   4      25.288  34.609   7.499  0.00  0.00\\nATOM     62  CD1 PHE A   4      24.147  33.966   7.038  0.00  0.00\\nATOM     63  CD2 PHE A   4      26.136  35.346   6.640  0.00  0.00\\nATOM     64  CE1 PHE A   4      23.812  34.031   5.677  0.00  0.00\\nATOM     65  CE2 PHE A   4      25.810  35.392   5.267  0.00  0.00\\nATOM     66  CZ  PHE A   4      24.620  34.778   4.853  0.00  0.00\\nATOM     67  H   PHE A   4      25.358  31.764   9.192  0.00  0.00\\nATOM     68  HA  PHE A   4      27.654  33.652   8.592  0.00  0.00\\nATOM     69  HB2 PHE A   4      24.809  34.264   9.535  0.00  0.00\\nATOM     70  HB3 PHE A   4      26.059  35.470   9.276  0.00  0.00\\nATOM     71  HD1 PHE A   4      23.523  33.417   7.744  0.00  0.00\\nATOM     72  HD2 PHE A   4      27.054  35.813   6.998  0.00  0.00\\nATOM     73  HE1 PHE A   4      22.936  33.500   5.306  0.00  0.00\\nATOM     74  HE2 PHE A   4      26.451  35.884   4.536  0.00  0.00\\nATOM     75  HZ  PHE A   4      24.350  34.921   3.808  0.00  0.00\\nATOM     76  N   VAL A   5      28.260  33.943  11.096  0.00  0.00\\nATOM     77  CA  VAL A   5      28.605  33.965  12.503  0.00  0.00\\nATOM     78  C   VAL A   5      28.638  35.461  12.900  0.00  0.00\\nATOM     79  O   VAL A   5      29.522  36.103  12.320  0.00  0.00\\nATOM     80  CB  VAL A   5      29.963  33.317  12.814  0.00  0.00\\nATOM     81  CG1 VAL A   5      30.211  33.394  14.304  0.00  0.00\\nATOM     82  CG2 VAL A   5      29.957  31.838  12.352  0.00  0.00\\nATOM     83  H   VAL A   5      28.880  34.382  10.431  0.00  0.00\\nATOM     84  HA  VAL A   5      27.849  33.405  13.054  0.00  0.00\\nATOM     85  HB  VAL A   5      30.745  33.862  12.284  0.00  0.00\\nATOM     86 HG11 VAL A   5      31.173  32.937  14.537  0.00  0.00\\nATOM     87 HG12 VAL A   5      30.220  34.438  14.618  0.00  0.00\\nATOM     88 HG13 VAL A   5      29.420  32.862  14.832  0.00  0.00\\nATOM     89 HG21 VAL A   5      30.922  31.384  12.574  0.00  0.00\\nATOM     90 HG22 VAL A   5      29.171  31.296  12.877  0.00  0.00\\nATOM     91 HG23 VAL A   5      29.774  31.793  11.278  0.00  0.00\\nATOM     92  N   LYS A   6      27.751  35.867  13.740  0.00  0.00\\nATOM     93  CA  LYS A   6      27.691  37.315  14.143  0.00  0.00\\nATOM     94  C   LYS A   6      28.469  37.475  15.420  0.00  0.00\\nATOM     95  O   LYS A   6      28.213  36.753  16.411  0.00  0.00\\nATOM     96  CB  LYS A   6      26.219  37.684  14.307  0.00  0.00\\nATOM     97  CG  LYS A   6      25.884  39.139  14.615  0.00  0.00\\nATOM     98  CD  LYS A   6      24.348  39.296  14.642  0.00  0.00\\nATOM     99  CE  LYS A   6      23.865  40.723  14.749  0.00  0.00\\nATOM    100  NZ  LYS A   6      22.375  40.720  14.907  0.00  0.00\\nATOM    101  H   LYS A   6      27.087  35.218  14.137  0.00  0.00\\nATOM    102  HA  LYS A   6      28.141  37.914  13.350  0.00  0.00\\nATOM    103  HB2 LYS A   6      25.678  37.436  13.394  0.00  0.00\\nATOM    104  HB3 LYS A   6      25.784  37.096  15.115  0.00  0.00\\nATOM    105  HG2 LYS A   6      26.311  39.414  15.580  0.00  0.00\\nATOM    106  HG3 LYS A   6      26.318  39.782  13.850  0.00  0.00\\nATOM    107  HD2 LYS A   6      23.923  38.876  13.729  0.00  0.00\\nATOM    108  HD3 LYS A   6      23.942  38.752  15.495  0.00  0.00\\nATOM    109  HE2 LYS A   6      24.336  41.203  15.605  0.00  0.00\\nATOM    110  HE3 LYS A   6      24.149  41.272  13.851  0.00  0.00\\nATOM    111  HZ1 LYS A   6      22.042  41.671  14.979  0.00  0.00\\nATOM    112  HZ2 LYS A   6      21.952  40.275  14.105  0.00  0.00\\nATOM    113  HZ3 LYS A   6      22.126  40.212  15.744  0.00  0.00\\nATOM    114  N   THR A   7      29.426  38.430  15.446  0.00  0.00\\nATOM    115  CA  THR A   7      30.225  38.643  16.662  0.00  0.00\\nATOM    116  C   THR A   7      29.664  39.839  17.434  0.00  0.00\\nATOM    117  O   THR A   7      28.850  40.565  16.859  0.00  0.00\\nATOM    118  CB  THR A   7      31.744  38.879  16.299  0.00  0.00\\nATOM    119  OG1 THR A   7      31.737  40.257  15.824  0.00  0.00\\nATOM    120  CG2 THR A   7      32.260  37.969  15.171  0.00  0.00\\nATOM    121  H   THR A   7      29.602  39.005  14.635  0.00  0.00\\nATOM    122  HA  THR A   7      30.152  37.751  17.284  0.00  0.00\\nATOM    123  HB  THR A   7      32.361  38.694  17.178  0.00  0.00\\nATOM    124  HG1 THR A   7      32.628  40.512  15.571  0.00  0.00\\nATOM    125 HG21 THR A   7      33.310  38.189  14.978  0.00  0.00\\nATOM    126 HG22 THR A   7      32.156  36.926  15.469  0.00  0.00\\nATOM    127 HG23 THR A   7      31.680  38.147  14.266  0.00  0.00\\nATOM    128  N   LEU A   8      30.132  40.069  18.642  0.00  0.00\\nATOM    129  CA  LEU A   8      29.607  41.180  19.467  0.00  0.00\\nATOM    130  C   LEU A   8      30.075  42.538  18.984  0.00  0.00\\nATOM    131  O   LEU A   8      29.586  43.570  19.483  0.00  0.00\\nATOM    132  CB  LEU A   8      29.919  40.890  20.938  0.00  0.00\\nATOM    133  CG  LEU A   8      29.183  39.722  21.581  0.00  0.00\\nATOM    134  CD1 LEU A   8      29.308  39.750  23.095  0.00  0.00\\nATOM    135  CD2 LEU A   8      27.700  39.721  21.228  0.00  0.00\\nATOM    136  H   LEU A   8      30.862  39.480  19.017  0.00  0.00\\nATOM    137  HA  LEU A   8      28.528  41.234  19.328  0.00  0.00\\nATOM    138  HB2 LEU A   8      30.985  40.688  21.034  0.00  0.00\\nATOM    139  HB3 LEU A   8      29.684  41.778  21.525  0.00  0.00\\nATOM    140  HG  LEU A   8      29.617  38.783  21.235  0.00  0.00\\nATOM    141 HD11 LEU A   8      28.771  38.902  23.520  0.00  0.00\\nATOM    142 HD12 LEU A   8      30.360  39.689  23.374  0.00  0.00\\nATOM    143 HD13 LEU A   8      28.883  40.677  23.478  0.00  0.00\\nATOM    144 HD21 LEU A   8      27.213  38.871  21.706  0.00  0.00\\nATOM    145 HD22 LEU A   8      27.242  40.646  21.578  0.00  0.00\\nATOM    146 HD23 LEU A   8      27.583  39.645  20.147  0.00  0.00\\nATOM    147  N   THR A   9      30.991  42.571  17.998  0.00  0.00\\nATOM    148  CA  THR A   9      31.422  43.940  17.553  0.00  0.00\\nATOM    149  C   THR A   9      30.755  44.351  16.277  0.00  0.00\\nATOM    150  O   THR A   9      31.207  45.268  15.566  0.00  0.00\\nATOM    151  CB  THR A   9      32.979  43.918  17.445  0.00  0.00\\nATOM    152  OG1 THR A   9      33.174  43.067  16.265  0.00  0.00\\nATOM    153  CG2 THR A   9      33.657  43.319  18.672  0.00  0.00\\nATOM    154  H   THR A   9      31.394  41.759  17.552  0.00  0.00\\nATOM    155  HA  THR A   9      31.106  44.664  18.305  0.00  0.00\\nATOM    156  HB  THR A   9      33.350  44.936  17.323  0.00  0.00\\nATOM    157  HG1 THR A   9      33.034  43.587  15.470  0.00  0.00\\nATOM    158 HG21 THR A   9      34.738  43.333  18.534  0.00  0.00\\nATOM    159 HG22 THR A   9      33.396  43.904  19.554  0.00  0.00\\nATOM    160 HG23 THR A   9      33.323  42.291  18.807  0.00  0.00\\nATOM    161  N   GLY A  10      29.721  43.673  15.885  0.00  0.00\\nATOM    162  CA  GLY A  10      28.978  43.960  14.678  0.00  0.00\\nATOM    163  C   GLY A  10      29.604  43.507  13.393  0.00  0.00\\nATOM    164  H   GLY A  10      29.431  42.902  16.470  0.00  0.00\\nATOM    165  HA2 GLY A  10      27.994  43.494  14.737  0.00  0.00\\nATOM    166  HA3 GLY A  10      28.820  45.035  14.595  0.00  0.00\\nATOM    167  O   GLY A  10      29.219  43.981  12.301  0.00  0.00\\nATOM    168  OXT GLY A  10      30.479  42.686  13.409  0.00  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       "\tviewer_17885205947942646.addModel(\"MODEL 1\\nATOM      1  N   MET A   1      27.340  24.430   2.614  0.00  0.00\\nATOM      2  CA  MET A   1      26.266  25.413   2.842  0.00  0.00\\nATOM      3  C   MET A   1      26.913  26.639   3.531  0.00  0.00\\nATOM      4  O   MET A   1      27.886  26.463   4.263  0.00  0.00\\nATOM      5  CB  MET A   1      25.112  24.880   3.649  0.00  0.00\\nATOM      6  CG  MET A   1      25.353  24.860   5.134  0.00  0.00\\nATOM      7  SD  MET A   1      23.930  23.959   5.904  0.00  0.00\\nATOM      8  CE  MET A   1      24.447  23.984   7.620  0.00  0.00\\nATOM      9  HA  MET A   1      25.864  25.717   1.875  0.00  0.00\\nATOM     10  HB2 MET A   1      24.227  25.486   3.461  0.00  0.00\\nATOM     11  HB3 MET A   1      24.886  23.861   3.332  0.00  0.00\\nATOM     12  HG2 MET A   1      26.298  24.359   5.342  0.00  0.00\\nATOM     13  HG3 MET A   1      25.421  25.882   5.505  0.00  0.00\\nATOM     14  HE1 MET A   1      23.700  23.479   8.233  0.00  0.00\\nATOM     15  HE2 MET A   1      25.405  23.472   7.719  0.00  0.00\\nATOM     16  HE3 MET A   1      24.552  25.017   7.954  0.00  0.00\\nATOM     17  H1  MET A   1      26.961  23.619   2.168  0.00  0.00\\nATOM     18  H2  MET A   1      28.043  24.834   2.029  0.00  0.00\\nATOM     19  H3  MET A   1      27.746  24.169   3.490  0.00  0.00\\nATOM     20  N   GLN A   2      26.335  27.770   3.258  0.00  0.00\\nATOM     21  CA  GLN A   2      26.850  29.021   3.898  0.00  0.00\\nATOM     22  C   GLN A   2      26.100  29.253   5.202  0.00  0.00\\nATOM     23  O   GLN A   2      24.865  29.024   5.330  0.00  0.00\\nATOM     24  CB  GLN A   2      26.733  30.148   2.905  0.00  0.00\\nATOM     25  CG  GLN A   2      26.882  31.546   3.409  0.00  0.00\\nATOM     26  CD  GLN A   2      26.786  32.562   2.270  0.00  0.00\\nATOM     27  OE1 GLN A   2      25.705  32.805   1.726  0.00  0.00\\nATOM     28  NE2 GLN A   2      27.919  33.155   1.910  0.00  0.00\\nATOM     29  H   GLN A   2      25.549  27.828   2.627  0.00  0.00\\nATOM     30  HA  GLN A   2      27.898  28.870   4.158  0.00  0.00\\nATOM     31  HB2 GLN A   2      27.488  30.028   2.128  0.00  0.00\\nATOM     32  HB3 GLN A   2      25.757  30.107   2.422  0.00  0.00\\nATOM     33  HG2 GLN A   2      26.089  31.748   4.128  0.00  0.00\\nATOM     34  HG3 GLN A   2      27.856  31.647   3.889  0.00  0.00\\nATOM     35 HE21 GLN A   2      28.773  32.928   2.378  0.00  0.00\\nATOM     36 HE22 GLN A   2      27.918  33.829   1.171  0.00  0.00\\nATOM     37  N   ILE A   3      26.849  29.656   6.217  0.00  0.00\\nATOM     38  CA  ILE A   3      26.235  30.058   7.497  0.00  0.00\\nATOM     39  C   ILE A   3      26.882  31.428   7.862  0.00  0.00\\nATOM     40  O   ILE A   3      27.906  31.711   7.264  0.00  0.00\\nATOM     41  CB  ILE A   3      26.344  29.050   8.645  0.00  0.00\\nATOM     42  CG1 ILE A   3      27.810  28.748   8.999  0.00  0.00\\nATOM     43  CG2 ILE A   3      25.491  27.771   8.287  0.00  0.00\\nATOM     44  CD1 ILE A   3      27.967  28.087  10.417  0.00  0.00\\nATOM     45  H   ILE A   3      27.854  29.691   6.121  0.00  0.00\\nATOM     46  HA  ILE A   3      25.168  30.210   7.336  0.00  0.00\\nATOM     47  HB  ILE A   3      25.964  29.500   9.562  0.00  0.00\\nATOM     48 HG12 ILE A   3      28.235  28.081   8.250  0.00  0.00\\nATOM     49 HG13 ILE A   3      28.388  29.672   8.977  0.00  0.00\\nATOM     50 HG21 ILE A   3      25.563  27.047   9.098  0.00  0.00\\nATOM     51 HG22 ILE A   3      24.449  28.056   8.147  0.00  0.00\\nATOM     52 HG23 ILE A   3      25.872  27.325   7.368  0.00  0.00\\nATOM     53 HD11 ILE A   3      29.022  27.896  10.615  0.00  0.00\\nATOM     54 HD12 ILE A   3      27.571  28.760  11.178  0.00  0.00\\nATOM     55 HD13 ILE A   3      27.418  27.147  10.443  0.00  0.00\\nATOM     56  N   PHE A   4      26.214  32.097   8.771  0.00  0.00\\nATOM     57  CA  PHE A   4      26.772  33.436   9.197  0.00  0.00\\nATOM     58  C   PHE A   4      27.151  33.362  10.650  0.00  0.00\\nATOM     59  O   PHE A   4      26.350  32.778  11.395  0.00  0.00\\nATOM     60  CB  PHE A   4      25.695  34.498   8.946  0.00  0.00\\nATOM     61  CG  PHE A   4      25.288  34.609   7.499  0.00  0.00\\nATOM     62  CD1 PHE A   4      24.147  33.966   7.038  0.00  0.00\\nATOM     63  CD2 PHE A   4      26.136  35.346   6.640  0.00  0.00\\nATOM     64  CE1 PHE A   4      23.812  34.031   5.677  0.00  0.00\\nATOM     65  CE2 PHE A   4      25.810  35.392   5.267  0.00  0.00\\nATOM     66  CZ  PHE A   4      24.620  34.778   4.853  0.00  0.00\\nATOM     67  H   PHE A   4      25.358  31.764   9.192  0.00  0.00\\nATOM     68  HA  PHE A   4      27.654  33.652   8.592  0.00  0.00\\nATOM     69  HB2 PHE A   4      24.809  34.264   9.535  0.00  0.00\\nATOM     70  HB3 PHE A   4      26.059  35.470   9.276  0.00  0.00\\nATOM     71  HD1 PHE A   4      23.523  33.417   7.744  0.00  0.00\\nATOM     72  HD2 PHE A   4      27.054  35.813   6.998  0.00  0.00\\nATOM     73  HE1 PHE A   4      22.936  33.500   5.306  0.00  0.00\\nATOM     74  HE2 PHE A   4      26.451  35.884   4.536  0.00  0.00\\nATOM     75  HZ  PHE A   4      24.350  34.921   3.808  0.00  0.00\\nATOM     76  N   VAL A   5      28.260  33.943  11.096  0.00  0.00\\nATOM     77  CA  VAL A   5      28.605  33.965  12.503  0.00  0.00\\nATOM     78  C   VAL A   5      28.638  35.461  12.900  0.00  0.00\\nATOM     79  O   VAL A   5      29.522  36.103  12.320  0.00  0.00\\nATOM     80  CB  VAL A   5      29.963  33.317  12.814  0.00  0.00\\nATOM     81  CG1 VAL A   5      30.211  33.394  14.304  0.00  0.00\\nATOM     82  CG2 VAL A   5      29.957  31.838  12.352  0.00  0.00\\nATOM     83  H   VAL A   5      28.880  34.382  10.431  0.00  0.00\\nATOM     84  HA  VAL A   5      27.849  33.405  13.054  0.00  0.00\\nATOM     85  HB  VAL A   5      30.745  33.862  12.284  0.00  0.00\\nATOM     86 HG11 VAL A   5      31.173  32.937  14.537  0.00  0.00\\nATOM     87 HG12 VAL A   5      30.220  34.438  14.618  0.00  0.00\\nATOM     88 HG13 VAL A   5      29.420  32.862  14.832  0.00  0.00\\nATOM     89 HG21 VAL A   5      30.922  31.384  12.574  0.00  0.00\\nATOM     90 HG22 VAL A   5      29.171  31.296  12.877  0.00  0.00\\nATOM     91 HG23 VAL A   5      29.774  31.793  11.278  0.00  0.00\\nATOM     92  N   LYS A   6      27.751  35.867  13.740  0.00  0.00\\nATOM     93  CA  LYS A   6      27.691  37.315  14.143  0.00  0.00\\nATOM     94  C   LYS A   6      28.469  37.475  15.420  0.00  0.00\\nATOM     95  O   LYS A   6      28.213  36.753  16.411  0.00  0.00\\nATOM     96  CB  LYS A   6      26.219  37.684  14.307  0.00  0.00\\nATOM     97  CG  LYS A   6      25.884  39.139  14.615  0.00  0.00\\nATOM     98  CD  LYS A   6      24.348  39.296  14.642  0.00  0.00\\nATOM     99  CE  LYS A   6      23.865  40.723  14.749  0.00  0.00\\nATOM    100  NZ  LYS A   6      22.375  40.720  14.907  0.00  0.00\\nATOM    101  H   LYS A   6      27.087  35.218  14.137  0.00  0.00\\nATOM    102  HA  LYS A   6      28.141  37.914  13.350  0.00  0.00\\nATOM    103  HB2 LYS A   6      25.678  37.436  13.394  0.00  0.00\\nATOM    104  HB3 LYS A   6      25.784  37.096  15.115  0.00  0.00\\nATOM    105  HG2 LYS A   6      26.311  39.414  15.580  0.00  0.00\\nATOM    106  HG3 LYS A   6      26.318  39.782  13.850  0.00  0.00\\nATOM    107  HD2 LYS A   6      23.923  38.876  13.729  0.00  0.00\\nATOM    108  HD3 LYS A   6      23.942  38.752  15.495  0.00  0.00\\nATOM    109  HE2 LYS A   6      24.336  41.203  15.605  0.00  0.00\\nATOM    110  HE3 LYS A   6      24.149  41.272  13.851  0.00  0.00\\nATOM    111  HZ1 LYS A   6      22.042  41.671  14.979  0.00  0.00\\nATOM    112  HZ2 LYS A   6      21.952  40.275  14.105  0.00  0.00\\nATOM    113  HZ3 LYS A   6      22.126  40.212  15.744  0.00  0.00\\nATOM    114  N   THR A   7      29.426  38.430  15.446  0.00  0.00\\nATOM    115  CA  THR A   7      30.225  38.643  16.662  0.00  0.00\\nATOM    116  C   THR A   7      29.664  39.839  17.434  0.00  0.00\\nATOM    117  O   THR A   7      28.850  40.565  16.859  0.00  0.00\\nATOM    118  CB  THR A   7      31.744  38.879  16.299  0.00  0.00\\nATOM    119  OG1 THR A   7      31.737  40.257  15.824  0.00  0.00\\nATOM    120  CG2 THR A   7      32.260  37.969  15.171  0.00  0.00\\nATOM    121  H   THR A   7      29.602  39.005  14.635  0.00  0.00\\nATOM    122  HA  THR A   7      30.152  37.751  17.284  0.00  0.00\\nATOM    123  HB  THR A   7      32.361  38.694  17.178  0.00  0.00\\nATOM    124  HG1 THR A   7      32.628  40.512  15.571  0.00  0.00\\nATOM    125 HG21 THR A   7      33.310  38.189  14.978  0.00  0.00\\nATOM    126 HG22 THR A   7      32.156  36.926  15.469  0.00  0.00\\nATOM    127 HG23 THR A   7      31.680  38.147  14.266  0.00  0.00\\nATOM    128  N   LEU A   8      30.132  40.069  18.642  0.00  0.00\\nATOM    129  CA  LEU A   8      29.607  41.180  19.467  0.00  0.00\\nATOM    130  C   LEU A   8      30.075  42.538  18.984  0.00  0.00\\nATOM    131  O   LEU A   8      29.586  43.570  19.483  0.00  0.00\\nATOM    132  CB  LEU A   8      29.919  40.890  20.938  0.00  0.00\\nATOM    133  CG  LEU A   8      29.183  39.722  21.581  0.00  0.00\\nATOM    134  CD1 LEU A   8      29.308  39.750  23.095  0.00  0.00\\nATOM    135  CD2 LEU A   8      27.700  39.721  21.228  0.00  0.00\\nATOM    136  H   LEU A   8      30.862  39.480  19.017  0.00  0.00\\nATOM    137  HA  LEU A   8      28.528  41.234  19.328  0.00  0.00\\nATOM    138  HB2 LEU A   8      30.985  40.688  21.034  0.00  0.00\\nATOM    139  HB3 LEU A   8      29.684  41.778  21.525  0.00  0.00\\nATOM    140  HG  LEU A   8      29.617  38.783  21.235  0.00  0.00\\nATOM    141 HD11 LEU A   8      28.771  38.902  23.520  0.00  0.00\\nATOM    142 HD12 LEU A   8      30.360  39.689  23.374  0.00  0.00\\nATOM    143 HD13 LEU A   8      28.883  40.677  23.478  0.00  0.00\\nATOM    144 HD21 LEU A   8      27.213  38.871  21.706  0.00  0.00\\nATOM    145 HD22 LEU A   8      27.242  40.646  21.578  0.00  0.00\\nATOM    146 HD23 LEU A   8      27.583  39.645  20.147  0.00  0.00\\nATOM    147  N   THR A   9      30.991  42.571  17.998  0.00  0.00\\nATOM    148  CA  THR A   9      31.422  43.940  17.553  0.00  0.00\\nATOM    149  C   THR A   9      30.755  44.351  16.277  0.00  0.00\\nATOM    150  O   THR A   9      31.207  45.268  15.566  0.00  0.00\\nATOM    151  CB  THR A   9      32.979  43.918  17.445  0.00  0.00\\nATOM    152  OG1 THR A   9      33.174  43.067  16.265  0.00  0.00\\nATOM    153  CG2 THR A   9      33.657  43.319  18.672  0.00  0.00\\nATOM    154  H   THR A   9      31.394  41.759  17.552  0.00  0.00\\nATOM    155  HA  THR A   9      31.106  44.664  18.305  0.00  0.00\\nATOM    156  HB  THR A   9      33.350  44.936  17.323  0.00  0.00\\nATOM    157  HG1 THR A   9      33.034  43.587  15.470  0.00  0.00\\nATOM    158 HG21 THR A   9      34.738  43.333  18.534  0.00  0.00\\nATOM    159 HG22 THR A   9      33.396  43.904  19.554  0.00  0.00\\nATOM    160 HG23 THR A   9      33.323  42.291  18.807  0.00  0.00\\nATOM    161  N   GLY A  10      29.721  43.673  15.885  0.00  0.00\\nATOM    162  CA  GLY A  10      28.978  43.960  14.678  0.00  0.00\\nATOM    163  C   GLY A  10      29.604  43.507  13.393  0.00  0.00\\nATOM    164  H   GLY A  10      29.431  42.902  16.470  0.00  0.00\\nATOM    165  HA2 GLY A  10      27.994  43.494  14.737  0.00  0.00\\nATOM    166  HA3 GLY A  10      28.820  45.035  14.595  0.00  0.00\\nATOM    167  O   GLY A  10      29.219  43.981  12.301  0.00  0.00\\nATOM    168  OXT GLY A  10      30.479  42.686  13.409  0.00  0.00\\nTER\\nENDMDL\\n\",\"pdb\");\n",
       "\tviewer_17885205947942646.setBackgroundColor(\"white\");\n",
       "\tviewer_17885205947942646.setStyle({},{\"cartoon\": {\"color\": \"spectrum\"}});\n",
       "\tviewer_17885205947942646.addStyle({\"not\": {\"hetflag\": true}},{\"stick\": {\"radius\": 0.08, \"opacity\": 0.55}});\n",
       "\tviewer_17885205947942646.setStyle({\"hetflag\": true},{\"stick\": {\"colorscheme\": \"orangeCarbon\", \"radius\": 0.22}});\n",
       "\tviewer_17885205947942646.addStyle({\"serial\": [20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146]},{\"stick\": {\"color\": \"#ff7f0e\", \"radius\": 0.28}, \"sphere\": {\"color\": \"#ff7f0e\", \"radius\": 0.45}});\n",
       "\tviewer_17885205947942646.setHoverable({},true,\"function(atom,viewer) {\\n        if(!atom.label) {\\n            atom.label = viewer.addLabel(\\n                atom.chain + ':' + atom.resn + '(' + atom.resi + '):' +\\n                atom.atom + '(idx' + atom.serial + ')',\\n                {position: atom, backgroundColor:\\\"white\\\", fontColor:\\\"black\\\"}\\n            );\\n        }\\n    }\",\"function(atom,viewer) {\\n        if(atom.label) {\\n            viewer.removeLabel(atom.label);\\n            delete atom.label;\\n        }\\n    }\");\n",
       "\tviewer_17885205947942646.zoomTo();\n",
       "viewer_17885205947942646.render();\n",
       "});\n",
       "</script>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "plot_summary = scan_summary.sort_values(\n",
    "    \"target_to_rest_difference_of_means_vs_repacked_wt_non_ddg\"\n",
    ").reset_index(drop=True)\n",
    "fig, ax = plt.subplots(figsize=(8, 4.2))\n",
    "for y_position, row in plot_summary.iterrows():\n",
    "    outcome_offsets = (\n",
    "        scan_frame.loc[\n",
    "            scan_frame[\"variant\"] == row[\"variant\"],\n",
    "            \"target_to_rest_weighted_score_units\",\n",
    "        ].to_numpy()\n",
    "        - wt_summary[\"target_to_rest_mean\"]\n",
    "    )\n",
    "    ax.hlines(\n",
    "        y_position,\n",
    "        outcome_offsets.min(),\n",
    "        outcome_offsets.max(),\n",
    "        color=\"0.45\",\n",
    "        linewidth=2,\n",
    "    )\n",
    "    ax.scatter(outcome_offsets, np.full_like(outcome_offsets, y_position), color=\"0.35\")\n",
    "    ax.scatter(\n",
    "        row[\"target_to_rest_difference_of_means_vs_repacked_wt_non_ddg\"],\n",
    "        y_position,\n",
    "        color=\"tab:blue\",\n",
    "        marker=\"D\",\n",
    "        zorder=3,\n",
    "    )\n",
    "ax.axvline(0.0, color=\"black\", linewidth=1)\n",
    "ax.set_yticks(np.arange(len(plot_summary)), plot_summary[\"state\"])\n",
    "ax.set(\n",
    "    xlabel=(\n",
    "        \"target-to-rest weighted score relative to independently summarized \"\n",
    "        \"repacked-WT mean (non-ddG)\"\n",
    "    ),\n",
    "    title=f\"Two-outcome local-shell scan at {target_label}: outcomes, range, and mean\",\n",
    ")\n",
    "ax.grid(axis=\"x\", alpha=0.25)\n",
    "plt.tight_layout()\n",
    "plt.show()\n",
    "\n",
    "shell_atom_mask = res_mask_to_coord_mask(pose_stack, mutation_shell)\n",
    "try:\n",
    "    shell_viewer = tmol.view(\n",
    "        pose_stack,\n",
    "        highlighted=shell_atom_mask[pose_stack.real_atoms],\n",
    "        highlight_color=\"#ff7f0e\",\n",
    "    )\n",
    "    print(\n",
    "        f\"Orange: local repacking shell ({len(shell_block_indices)} blocks); \"\n",
    "        f\"mutation target: block {target_block} ({target_label}).\"\n",
    "    )\n",
    "    shell_viewer.show()\n",
    "except ImportError as exc:\n",
    "    print(\"Interactive local-shell viewer unavailable:\", exc)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "4d9da7b8",
   "metadata": {},
   "source": [
    "**Expected observations.** Variants can differ in both total score and target-to-rest score. CUDA outcomes may show annealing spread, but an observed range of exactly zero is valid and does not establish determinism or convergence. The CPU path reports one result per identity rather than presenting torch-reseeded calls as controlled replicates. `shared_batch_seconds` is the wall time for the single packer call containing all identities and outcomes, not a per-variant time. The orange highlight identifies the complete geometry-defined repacking shell; the printed author label identifies the mutated block.\n",
    "\n",
    "The WT distribution is an independently **repacked WT**, not the input structure and not an outcome-by-outcome partner for a mutant. Each identity's outcomes are summarized first. `target_to_rest_difference_of_means_vs_repacked_wt_non_ddg` then subtracts the independently summarized WT mean from the variant mean after both directed matrix orientations are combined; the total-score comparison uses the same difference-of-means rule. The plot centers outcomes on the WT mean, shows every observed point and range, and marks each mean with a diamond. Neither quantity is a ΔΔG: the workflow constructs no folded/unfolded, bound/unbound, or experimentally calibrated thermodynamic states. The one CPU result or two CUDA outcomes per identity are illustrative, not converged."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "id": "c6e9de16",
   "metadata": {
    "tags": [
     "collapse-code"
    ]
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "lowest mean total score in this two-outcome local scan: VAL (repacked WT) (a stochastic score result, not a stability ranking)\n"
     ]
    },
    {
     "data": {
      "text/html": [
       "\n",
       "<div class=\"tmol-switchable-view\" id=\"tmol-switch-4bb2dd23414c4e729dbdeaef9ea4956d\" style=\"max-width:720px\">\n",
       "  <label>Structure: <select id=\"tmol-switch-4bb2dd23414c4e729dbdeaef9ea4956d-select\"><option value=\"0\">VAL (repacked WT)</option><option value=\"1\">ALA</option><option value=\"2\">LEU</option><option value=\"3\">PHE</option></select></label>\n",
       "  <div style=\"position:relative;width:100%;height:452px\">\n",
       "    \n",
       "<section id=\"tmol-switch-4bb2dd23414c4e729dbdeaef9ea4956d-panel-0\" class=\"tmol-switch-panel\"\n",
       "         style=\"position:absolute;inset:0;visibility:visible\">\n",
       "  <div class=\"tmol-viewer-note\">outcome 1 structure; independently summarized mean score 17.260; observed range 0.000</div>\n",
       "  <div id=\"3dmolviewer_178852059481098\"  style=\"position: relative; width: 720px; height: 420px;\">\n",
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       "viewer_178852059481098.zoomTo();\n",
       "\tviewer_178852059481098.addModel(\"MODEL 1\\nATOM      1  N   MET A   1      27.340  24.430   2.614  0.00  0.00\\nATOM      2  CA  MET A   1      26.266  25.413   2.842  0.00  0.00\\nATOM      3  C   MET A   1      26.913  26.639   3.531  0.00  0.00\\nATOM      4  O   MET A   1      27.886  26.463   4.263  0.00  0.00\\nATOM      5  CB  MET A   1      25.112  24.880   3.649  0.00  0.00\\nATOM      6  CG  MET A   1      25.353  24.860   5.134  0.00  0.00\\nATOM      7  SD  MET A   1      23.930  23.959   5.904  0.00  0.00\\nATOM      8  CE  MET A   1      24.447  23.984   7.620  0.00  0.00\\nATOM      9  HA  MET A   1      25.864  25.717   1.875  0.00  0.00\\nATOM     10  HB2 MET A   1      24.227  25.486   3.461  0.00  0.00\\nATOM     11  HB3 MET A   1      24.886  23.861   3.332  0.00  0.00\\nATOM     12  HG2 MET A   1      26.298  24.359   5.342  0.00  0.00\\nATOM     13  HG3 MET A   1      25.421  25.882   5.505  0.00  0.00\\nATOM     14  HE1 MET A   1      23.700  23.479   8.233  0.00  0.00\\nATOM     15  HE2 MET A   1      25.405  23.472   7.719  0.00  0.00\\nATOM     16  HE3 MET A   1      24.552  25.017   7.954  0.00  0.00\\nATOM     17  H1  MET A   1      26.961  23.619   2.168  0.00  0.00\\nATOM     18  H2  MET A   1      28.043  24.834   2.029  0.00  0.00\\nATOM     19  H3  MET A   1      27.746  24.169   3.490  0.00  0.00\\nATOM     20  N   GLN A   2      26.335  27.770   3.258  0.00  0.00\\nATOM     21  CA  GLN A   2      26.850  29.021   3.898  0.00  0.00\\nATOM     22  C   GLN A   2      26.100  29.253   5.202  0.00  0.00\\nATOM     23  O   GLN A   2      24.865  29.024   5.330  0.00  0.00\\nATOM     24  CB  GLN A   2      26.688  30.235   2.979  0.00  0.00\\nATOM     25  CG  GLN A   2      27.271  31.521   3.539  0.00  0.00\\nATOM     26  CD  GLN A   2      27.146  32.683   2.571  0.00  0.00\\nATOM     27  OE1 GLN A   2      26.486  32.576   1.534  0.00  0.00\\nATOM     28  NE2 GLN A   2      27.782  33.800   2.904  0.00  0.00\\nATOM     29  H   GLN A   2      25.549  27.828   2.627  0.00  0.00\\nATOM     30  HA  GLN A   2      27.898  28.870   4.158  0.00  0.00\\nATOM     31  HB2 GLN A   2      27.173  30.035   2.023  0.00  0.00\\nATOM     32  HB3 GLN A   2      25.630  30.403   2.781  0.00  0.00\\nATOM     33  HG2 GLN A   2      26.738  31.781   4.454  0.00  0.00\\nATOM     34  HG3 GLN A   2      28.328  31.367   3.753  0.00  0.00\\nATOM     35 HE21 GLN A   2      28.306  33.843   3.755  0.00  0.00\\nATOM     36 HE22 GLN A   2      27.736  34.600   2.304  0.00  0.00\\nATOM     37  N   ILE A   3      26.849  29.656   6.217  0.00  0.00\\nATOM     38  CA  ILE A   3      26.235  30.058   7.497  0.00  0.00\\nATOM     39  C   ILE A   3      26.882  31.428   7.862  0.00  0.00\\nATOM     40  O   ILE A   3      27.906  31.711   7.264  0.00  0.00\\nATOM     41  CB  ILE A   3      26.473  29.056   8.641  0.00  0.00\\nATOM     42  CG1 ILE A   3      27.969  28.942   8.949  0.00  0.00\\nATOM     43  CG2 ILE A   3      25.895  27.695   8.286  0.00  0.00\\nATOM     44  CD1 ILE A   3      28.278  28.129  10.185  0.00  0.00\\nATOM     45  H   ILE A   3      27.854  29.691   6.121  0.00  0.00\\nATOM     46  HA  ILE A   3      25.168  30.210   7.336  0.00  0.00\\nATOM     47  HB  ILE A   3      25.992  29.419   9.549  0.00  0.00\\nATOM     48 HG12 ILE A   3      28.480  28.485   8.102  0.00  0.00\\nATOM     49 HG13 ILE A   3      28.389  29.939   9.084  0.00  0.00\\nATOM     50 HG21 ILE A   3      26.073  26.999   9.105  0.00  0.00\\nATOM     51 HG22 ILE A   3      24.823  27.789   8.115  0.00  0.00\\nATOM     52 HG23 ILE A   3      26.375  27.321   7.381  0.00  0.00\\nATOM     53 HD11 ILE A   3      29.357  28.094  10.337  0.00  0.00\\nATOM     54 HD12 ILE A   3      27.804  28.590  11.052  0.00  0.00\\nATOM     55 HD13 ILE A   3      27.898  27.116  10.058  0.00  0.00\\nATOM     56  N   PHE A   4      26.214  32.097   8.771  0.00  0.00\\nATOM     57  CA  PHE A   4      26.772  33.436   9.197  0.00  0.00\\nATOM     58  C   PHE A   4      27.151  33.362  10.650  0.00  0.00\\nATOM     59  O   PHE A   4      26.350  32.778  11.395  0.00  0.00\\nATOM     60  CB  PHE A   4      25.760  34.564   8.985  0.00  0.00\\nATOM     61  CG  PHE A   4      25.431  34.820   7.542  0.00  0.00\\nATOM     62  CD1 PHE A   4      24.348  34.195   6.942  0.00  0.00\\nATOM     63  CD2 PHE A   4      26.203  35.684   6.782  0.00  0.00\\nATOM     64  CE1 PHE A   4      24.043  34.429   5.615  0.00  0.00\\nATOM     65  CE2 PHE A   4      25.901  35.921   5.455  0.00  0.00\\nATOM     66  CZ  PHE A   4      24.820  35.292   4.871  0.00  0.00\\nATOM     67  H   PHE A   4      25.358  31.764   9.192  0.00  0.00\\nATOM     68  HA  PHE A   4      27.654  33.652   8.592  0.00  0.00\\nATOM     69  HB2 PHE A   4      24.835  34.326   9.509  0.00  0.00\\nATOM     70  HB3 PHE A   4      26.150  35.487   9.414  0.00  0.00\\nATOM     71  HD1 PHE A   4      23.733  33.513   7.531  0.00  0.00\\nATOM     72  HD2 PHE A   4      27.058  36.181   7.243  0.00  0.00\\nATOM     73  HE1 PHE A   4      23.189  33.931   5.156  0.00  0.00\\nATOM     74  HE2 PHE A   4      26.516  36.604   4.868  0.00  0.00\\nATOM     75  HZ  PHE A   4      24.581  35.477   3.824  0.00  0.00\\nATOM     76  N   VAL A   5      28.260  33.943  11.096  0.00  0.00\\nATOM     77  CA  VAL A   5      28.605  33.965  12.503  0.00  0.00\\nATOM     78  C   VAL A   5      28.638  35.461  12.900  0.00  0.00\\nATOM     79  O   VAL A   5      29.522  36.103  12.320  0.00  0.00\\nATOM     80  CB  VAL A   5      29.975  33.328  12.801  0.00  0.00\\nATOM     81  CG1 VAL A   5      30.284  33.399  14.289  0.00  0.00\\nATOM     82  CG2 VAL A   5      29.992  31.886  12.315  0.00  0.00\\nATOM     83  H   VAL A   5      28.880  34.382  10.431  0.00  0.00\\nATOM     84  HA  VAL A   5      27.849  33.405  13.054  0.00  0.00\\nATOM     85  HB  VAL A   5      30.749  33.895  12.284  0.00  0.00\\nATOM     86 HG11 VAL A   5      31.256  32.945  14.481  0.00  0.00\\nATOM     87 HG12 VAL A   5      30.303  34.442  14.606  0.00  0.00\\nATOM     88 HG13 VAL A   5      29.517  32.863  14.846  0.00  0.00\\nATOM     89 HG21 VAL A   5      30.964  31.442  12.528  0.00  0.00\\nATOM     90 HG22 VAL A   5      29.214  31.320  12.828  0.00  0.00\\nATOM     91 HG23 VAL A   5      29.810  31.862  11.241  0.00  0.00\\nATOM     92  N   LYS A   6      27.751  35.867  13.740  0.00  0.00\\nATOM     93  CA  LYS A   6      27.691  37.315  14.143  0.00  0.00\\nATOM     94  C   LYS A   6      28.469  37.475  15.420  0.00  0.00\\nATOM     95  O   LYS A   6      28.213  36.753  16.411  0.00  0.00\\nATOM     96  CB  LYS A   6      26.254  37.801  14.338  0.00  0.00\\nATOM     97  CG  LYS A   6      26.131  39.283  14.667  0.00  0.00\\nATOM     98  CD  LYS A   6      24.673  39.701  14.795  0.00  0.00\\nATOM     99  CE  LYS A   6      24.549  41.178  15.138  0.00  0.00\\nATOM    100  NZ  LYS A   6      23.128  41.602  15.266  0.00  0.00\\nATOM    101  H   LYS A   6      27.087  35.218  14.137  0.00  0.00\\nATOM    102  HA  LYS A   6      28.141  37.914  13.350  0.00  0.00\\nATOM    103  HB2 LYS A   6      25.679  37.611  13.432  0.00  0.00\\nATOM    104  HB3 LYS A   6      25.786  37.239  15.147  0.00  0.00\\nATOM    105  HG2 LYS A   6      26.643  39.491  15.607  0.00  0.00\\nATOM    106  HG3 LYS A   6      26.601  39.871  13.880  0.00  0.00\\nATOM    107  HD2 LYS A   6      24.156  39.511  13.853  0.00  0.00\\nATOM    108  HD3 LYS A   6      24.194  39.115  15.578  0.00  0.00\\nATOM    109  HE2 LYS A   6      25.060  41.377  16.079  0.00  0.00\\nATOM    110  HE3 LYS A   6      25.023  41.775  14.359  0.00  0.00\\nATOM    111  HZ1 LYS A   6      23.088  42.586  15.493  0.00  0.00\\nATOM    112  HZ2 LYS A   6      22.648  41.439  14.392  0.00  0.00\\nATOM    113  HZ3 LYS A   6      22.682  41.070  15.999  0.00  0.00\\nATOM    114  N   THR A   7      29.426  38.430  15.446  0.00  0.00\\nATOM    115  CA  THR A   7      30.225  38.643  16.662  0.00  0.00\\nATOM    116  C   THR A   7      29.664  39.839  17.434  0.00  0.00\\nATOM    117  O   THR A   7      28.850  40.565  16.859  0.00  0.00\\nATOM    118  CB  THR A   7      31.712  38.885  16.343  0.00  0.00\\nATOM    119  OG1 THR A   7      31.852  40.101  15.597  0.00  0.00\\nATOM    120  CG2 THR A   7      32.278  37.729  15.532  0.00  0.00\\nATOM    121  H   THR A   7      29.602  39.005  14.635  0.00  0.00\\nATOM    122  HA  THR A   7      30.152  37.751  17.284  0.00  0.00\\nATOM    123  HB  THR A   7      32.273  38.978  17.272  0.00  0.00\\nATOM    124  HG1 THR A   7      32.756  40.416  15.666  0.00  0.00\\nATOM    125 HG21 THR A   7      33.330  37.917  15.316  0.00  0.00\\nATOM    126 HG22 THR A   7      32.184  36.805  16.101  0.00  0.00\\nATOM    127 HG23 THR A   7      31.727  37.637  14.597  0.00  0.00\\nATOM    128  N   LEU A   8      30.132  40.069  18.642  0.00  0.00\\nATOM    129  CA  LEU A   8      29.607  41.180  19.467  0.00  0.00\\nATOM    130  C   LEU A   8      30.075  42.538  18.984  0.00  0.00\\nATOM    131  O   LEU A   8      29.586  43.570  19.483  0.00  0.00\\nATOM    132  CB  LEU A   8      30.031  40.976  20.927  0.00  0.00\\nATOM    133  CG  LEU A   8      29.430  39.751  21.629  0.00  0.00\\nATOM    134  CD1 LEU A   8      30.037  39.613  23.018  0.00  0.00\\nATOM    135  CD2 LEU A   8      27.918  39.901  21.706  0.00  0.00\\nATOM    136  H   LEU A   8      30.862  39.480  19.017  0.00  0.00\\nATOM    137  HA  LEU A   8      28.528  41.234  19.328  0.00  0.00\\nATOM    138  HB2 LEU A   8      31.115  40.880  20.964  0.00  0.00\\nATOM    139  HB3 LEU A   8      29.745  41.859  21.499  0.00  0.00\\nATOM    140  HG  LEU A   8      29.677  38.851  21.066  0.00  0.00\\nATOM    141 HD11 LEU A   8      29.610  38.743  23.517  0.00  0.00\\nATOM    142 HD12 LEU A   8      31.117  39.488  22.933  0.00  0.00\\nATOM    143 HD13 LEU A   8      29.820  40.508  23.601  0.00  0.00\\nATOM    144 HD21 LEU A   8      27.490  39.030  22.204  0.00  0.00\\nATOM    145 HD22 LEU A   8      27.669  40.800  22.270  0.00  0.00\\nATOM    146 HD23 LEU A   8      27.508  39.980  20.698  0.00  0.00\\nATOM    147  N   THR A   9      30.991  42.571  17.998  0.00  0.00\\nATOM    148  CA  THR A   9      31.422  43.940  17.553  0.00  0.00\\nATOM    149  C   THR A   9      30.755  44.351  16.277  0.00  0.00\\nATOM    150  O   THR A   9      31.207  45.268  15.566  0.00  0.00\\nATOM    151  CB  THR A   9      32.979  43.918  17.445  0.00  0.00\\nATOM    152  OG1 THR A   9      33.174  43.067  16.265  0.00  0.00\\nATOM    153  CG2 THR A   9      33.657  43.319  18.672  0.00  0.00\\nATOM    154  H   THR A   9      31.394  41.759  17.552  0.00  0.00\\nATOM    155  HA  THR A   9      31.106  44.664  18.305  0.00  0.00\\nATOM    156  HB  THR A   9      33.350  44.936  17.323  0.00  0.00\\nATOM    157  HG1 THR A   9      33.034  43.587  15.470  0.00  0.00\\nATOM    158 HG21 THR A   9      34.738  43.333  18.534  0.00  0.00\\nATOM    159 HG22 THR A   9      33.396  43.904  19.554  0.00  0.00\\nATOM    160 HG23 THR A   9      33.323  42.291  18.807  0.00  0.00\\nATOM    161  N   GLY A  10      29.721  43.673  15.885  0.00  0.00\\nATOM    162  CA  GLY A  10      28.978  43.960  14.678  0.00  0.00\\nATOM    163  C   GLY A  10      29.604  43.507  13.393  0.00  0.00\\nATOM    164  H   GLY A  10      29.431  42.902  16.470  0.00  0.00\\nATOM    165  HA2 GLY A  10      27.994  43.494  14.737  0.00  0.00\\nATOM    166  HA3 GLY A  10      28.820  45.035  14.595  0.00  0.00\\nATOM    167  O   GLY A  10      29.219  43.981  12.301  0.00  0.00\\nATOM    168  OXT GLY A  10      30.479  42.686  13.409  0.00  0.00\\nTER\\nENDMDL\\n\",\"pdb\");\n",
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       "  <div class=\"tmol-viewer-note\">outcome 1 structure; independently summarized mean score 20.799; observed range 0.000</div>\n",
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       "\tviewer_17885205948191133.addModel(\"MODEL 1\\nATOM      1  N   MET A   1      27.340  24.430   2.614  0.00  0.00\\nATOM      2  CA  MET A   1      26.266  25.413   2.842  0.00  0.00\\nATOM      3  C   MET A   1      26.913  26.639   3.531  0.00  0.00\\nATOM      4  O   MET A   1      27.886  26.463   4.263  0.00  0.00\\nATOM      5  CB  MET A   1      25.112  24.880   3.649  0.00  0.00\\nATOM      6  CG  MET A   1      25.353  24.860   5.134  0.00  0.00\\nATOM      7  SD  MET A   1      23.930  23.959   5.904  0.00  0.00\\nATOM      8  CE  MET A   1      24.447  23.984   7.620  0.00  0.00\\nATOM      9  HA  MET A   1      25.864  25.717   1.875  0.00  0.00\\nATOM     10  HB2 MET A   1      24.227  25.486   3.461  0.00  0.00\\nATOM     11  HB3 MET A   1      24.886  23.861   3.332  0.00  0.00\\nATOM     12  HG2 MET A   1      26.298  24.359   5.342  0.00  0.00\\nATOM     13  HG3 MET A   1      25.421  25.882   5.505  0.00  0.00\\nATOM     14  HE1 MET A   1      23.700  23.479   8.233  0.00  0.00\\nATOM     15  HE2 MET A   1      25.405  23.472   7.719  0.00  0.00\\nATOM     16  HE3 MET A   1      24.552  25.017   7.954  0.00  0.00\\nATOM     17  H1  MET A   1      26.961  23.619   2.168  0.00  0.00\\nATOM     18  H2  MET A   1      28.043  24.834   2.029  0.00  0.00\\nATOM     19  H3  MET A   1      27.746  24.169   3.490  0.00  0.00\\nATOM     20  N   GLN A   2      26.335  27.770   3.258  0.00  0.00\\nATOM     21  CA  GLN A   2      26.850  29.021   3.898  0.00  0.00\\nATOM     22  C   GLN A   2      26.100  29.253   5.202  0.00  0.00\\nATOM     23  O   GLN A   2      24.865  29.024   5.330  0.00  0.00\\nATOM     24  CB  GLN A   2      26.688  30.235   2.979  0.00  0.00\\nATOM     25  CG  GLN A   2      27.271  31.521   3.539  0.00  0.00\\nATOM     26  CD  GLN A   2      27.146  32.683   2.571  0.00  0.00\\nATOM     27  OE1 GLN A   2      26.486  32.576   1.534  0.00  0.00\\nATOM     28  NE2 GLN A   2      27.782  33.800   2.904  0.00  0.00\\nATOM     29  H   GLN A   2      25.549  27.828   2.627  0.00  0.00\\nATOM     30  HA  GLN A   2      27.898  28.870   4.158  0.00  0.00\\nATOM     31  HB2 GLN A   2      27.173  30.035   2.023  0.00  0.00\\nATOM     32  HB3 GLN A   2      25.630  30.403   2.781  0.00  0.00\\nATOM     33  HG2 GLN A   2      26.738  31.781   4.454  0.00  0.00\\nATOM     34  HG3 GLN A   2      28.328  31.367   3.753  0.00  0.00\\nATOM     35 HE21 GLN A   2      28.306  33.843   3.755  0.00  0.00\\nATOM     36 HE22 GLN A   2      27.736  34.600   2.304  0.00  0.00\\nATOM     37  N   ILE A   3      26.849  29.656   6.217  0.00  0.00\\nATOM     38  CA  ILE A   3      26.235  30.058   7.497  0.00  0.00\\nATOM     39  C   ILE A   3      26.882  31.428   7.862  0.00  0.00\\nATOM     40  O   ILE A   3      27.906  31.711   7.264  0.00  0.00\\nATOM     41  CB  ILE A   3      26.473  29.056   8.641  0.00  0.00\\nATOM     42  CG1 ILE A   3      27.969  28.942   8.949  0.00  0.00\\nATOM     43  CG2 ILE A   3      25.895  27.695   8.286  0.00  0.00\\nATOM     44  CD1 ILE A   3      28.278  28.129  10.185  0.00  0.00\\nATOM     45  H   ILE A   3      27.854  29.691   6.121  0.00  0.00\\nATOM     46  HA  ILE A   3      25.168  30.210   7.336  0.00  0.00\\nATOM     47  HB  ILE A   3      25.992  29.419   9.549  0.00  0.00\\nATOM     48 HG12 ILE A   3      28.480  28.485   8.102  0.00  0.00\\nATOM     49 HG13 ILE A   3      28.389  29.939   9.084  0.00  0.00\\nATOM     50 HG21 ILE A   3      26.073  26.999   9.105  0.00  0.00\\nATOM     51 HG22 ILE A   3      24.823  27.789   8.115  0.00  0.00\\nATOM     52 HG23 ILE A   3      26.375  27.321   7.381  0.00  0.00\\nATOM     53 HD11 ILE A   3      29.357  28.094  10.337  0.00  0.00\\nATOM     54 HD12 ILE A   3      27.804  28.590  11.052  0.00  0.00\\nATOM     55 HD13 ILE A   3      27.898  27.116  10.058  0.00  0.00\\nATOM     56  N   PHE A   4      26.214  32.097   8.771  0.00  0.00\\nATOM     57  CA  PHE A   4      26.772  33.436   9.197  0.00  0.00\\nATOM     58  C   PHE A   4      27.151  33.362  10.650  0.00  0.00\\nATOM     59  O   PHE A   4      26.350  32.778  11.395  0.00  0.00\\nATOM     60  CB  PHE A   4      25.760  34.564   8.985  0.00  0.00\\nATOM     61  CG  PHE A   4      25.431  34.820   7.542  0.00  0.00\\nATOM     62  CD1 PHE A   4      24.348  34.195   6.942  0.00  0.00\\nATOM     63  CD2 PHE A   4      26.203  35.684   6.782  0.00  0.00\\nATOM     64  CE1 PHE A   4      24.043  34.429   5.615  0.00  0.00\\nATOM     65  CE2 PHE A   4      25.901  35.921   5.455  0.00  0.00\\nATOM     66  CZ  PHE A   4      24.820  35.292   4.871  0.00  0.00\\nATOM     67  H   PHE A   4      25.358  31.764   9.192  0.00  0.00\\nATOM     68  HA  PHE A   4      27.654  33.652   8.592  0.00  0.00\\nATOM     69  HB2 PHE A   4      24.835  34.326   9.509  0.00  0.00\\nATOM     70  HB3 PHE A   4      26.150  35.487   9.414  0.00  0.00\\nATOM     71  HD1 PHE A   4      23.733  33.513   7.531  0.00  0.00\\nATOM     72  HD2 PHE A   4      27.058  36.181   7.243  0.00  0.00\\nATOM     73  HE1 PHE A   4      23.189  33.931   5.156  0.00  0.00\\nATOM     74  HE2 PHE A   4      26.516  36.604   4.868  0.00  0.00\\nATOM     75  HZ  PHE A   4      24.581  35.477   3.824  0.00  0.00\\nATOM     76  N   ALA A   5      28.260  33.943  11.096  1.00 30.00\\nATOM     77  CA  ALA A   5      28.605  33.965  12.503  1.00 30.00\\nATOM     78  C   ALA A   5      28.638  35.461  12.900  1.00 30.00\\nATOM     79  O   ALA A   5      29.522  36.103  12.320  1.00 30.00\\nATOM     80  CB  ALA A   5      29.944  33.308  12.806  1.00 30.00\\nATOM     81  H   ALA A   5      28.880  34.382  10.431  1.00 30.00\\nATOM     82  HA  ALA A   5      27.849  33.405  13.054  1.00 30.00\\nATOM     83  HB1 ALA A   5      30.183  33.439  13.861  1.00 30.00\\nATOM     84  HB2 ALA A   5      29.887  32.244  12.576  1.00 30.00\\nATOM     85  HB3 ALA A   5      30.721  33.769  12.198  1.00 30.00\\nATOM     86  N   LYS A   6      27.751  35.867  13.740  0.00  0.00\\nATOM     87  CA  LYS A   6      27.691  37.315  14.143  0.00  0.00\\nATOM     88  C   LYS A   6      28.469  37.475  15.420  0.00  0.00\\nATOM     89  O   LYS A   6      28.213  36.753  16.411  0.00  0.00\\nATOM     90  CB  LYS A   6      26.254  37.801  14.338  0.00  0.00\\nATOM     91  CG  LYS A   6      26.131  39.283  14.667  0.00  0.00\\nATOM     92  CD  LYS A   6      24.673  39.701  14.795  0.00  0.00\\nATOM     93  CE  LYS A   6      24.549  41.178  15.138  0.00  0.00\\nATOM     94  NZ  LYS A   6      23.128  41.602  15.266  0.00  0.00\\nATOM     95  H   LYS A   6      27.087  35.218  14.137  0.00  0.00\\nATOM     96  HA  LYS A   6      28.141  37.914  13.350  0.00  0.00\\nATOM     97  HB2 LYS A   6      25.679  37.611  13.432  0.00  0.00\\nATOM     98  HB3 LYS A   6      25.786  37.239  15.147  0.00  0.00\\nATOM     99  HG2 LYS A   6      26.643  39.491  15.607  0.00  0.00\\nATOM    100  HG3 LYS A   6      26.601  39.871  13.880  0.00  0.00\\nATOM    101  HD2 LYS A   6      24.156  39.511  13.853  0.00  0.00\\nATOM    102  HD3 LYS A   6      24.194  39.115  15.578  0.00  0.00\\nATOM    103  HE2 LYS A   6      25.060  41.377  16.079  0.00  0.00\\nATOM    104  HE3 LYS A   6      25.023  41.775  14.359  0.00  0.00\\nATOM    105  HZ1 LYS A   6      23.088  42.586  15.493  0.00  0.00\\nATOM    106  HZ2 LYS A   6      22.648  41.439  14.392  0.00  0.00\\nATOM    107  HZ3 LYS A   6      22.682  41.070  15.999  0.00  0.00\\nATOM    108  N   THR A   7      29.426  38.430  15.446  0.00  0.00\\nATOM    109  CA  THR A   7      30.225  38.643  16.662  0.00  0.00\\nATOM    110  C   THR A   7      29.664  39.839  17.434  0.00  0.00\\nATOM    111  O   THR A   7      28.850  40.565  16.859  0.00  0.00\\nATOM    112  CB  THR A   7      31.712  38.885  16.343  0.00  0.00\\nATOM    113  OG1 THR A   7      31.852  40.101  15.597  0.00  0.00\\nATOM    114  CG2 THR A   7      32.278  37.729  15.532  0.00  0.00\\nATOM    115  H   THR A   7      29.602  39.005  14.635  0.00  0.00\\nATOM    116  HA  THR A   7      30.152  37.751  17.284  0.00  0.00\\nATOM    117  HB  THR A   7      32.273  38.978  17.272  0.00  0.00\\nATOM    118  HG1 THR A   7      32.756  40.416  15.666  0.00  0.00\\nATOM    119 HG21 THR A   7      33.330  37.917  15.316  0.00  0.00\\nATOM    120 HG22 THR A   7      32.184  36.805  16.101  0.00  0.00\\nATOM    121 HG23 THR A   7      31.727  37.637  14.597  0.00  0.00\\nATOM    122  N   LEU A   8      30.132  40.069  18.642  0.00  0.00\\nATOM    123  CA  LEU A   8      29.607  41.180  19.467  0.00  0.00\\nATOM    124  C   LEU A   8      30.075  42.538  18.984  0.00  0.00\\nATOM    125  O   LEU A   8      29.586  43.570  19.483  0.00  0.00\\nATOM    126  CB  LEU A   8      30.031  40.976  20.927  0.00  0.00\\nATOM    127  CG  LEU A   8      29.430  39.751  21.629  0.00  0.00\\nATOM    128  CD1 LEU A   8      30.037  39.613  23.018  0.00  0.00\\nATOM    129  CD2 LEU A   8      27.918  39.901  21.706  0.00  0.00\\nATOM    130  H   LEU A   8      30.862  39.480  19.017  0.00  0.00\\nATOM    131  HA  LEU A   8      28.528  41.234  19.328  0.00  0.00\\nATOM    132  HB2 LEU A   8      31.115  40.880  20.964  0.00  0.00\\nATOM    133  HB3 LEU A   8      29.745  41.859  21.499  0.00  0.00\\nATOM    134  HG  LEU A   8      29.677  38.851  21.066  0.00  0.00\\nATOM    135 HD11 LEU A   8      29.610  38.743  23.517  0.00  0.00\\nATOM    136 HD12 LEU A   8      31.117  39.488  22.933  0.00  0.00\\nATOM    137 HD13 LEU A   8      29.820  40.508  23.601  0.00  0.00\\nATOM    138 HD21 LEU A   8      27.490  39.030  22.204  0.00  0.00\\nATOM    139 HD22 LEU A   8      27.669  40.800  22.270  0.00  0.00\\nATOM    140 HD23 LEU A   8      27.508  39.980  20.698  0.00  0.00\\nATOM    141  N   THR A   9      30.991  42.571  17.998  0.00  0.00\\nATOM    142  CA  THR A   9      31.422  43.940  17.553  0.00  0.00\\nATOM    143  C   THR A   9      30.755  44.351  16.277  0.00  0.00\\nATOM    144  O   THR A   9      31.207  45.268  15.566  0.00  0.00\\nATOM    145  CB  THR A   9      32.979  43.918  17.445  0.00  0.00\\nATOM    146  OG1 THR A   9      33.174  43.067  16.265  0.00  0.00\\nATOM    147  CG2 THR A   9      33.657  43.319  18.672  0.00  0.00\\nATOM    148  H   THR A   9      31.394  41.759  17.552  0.00  0.00\\nATOM    149  HA  THR A   9      31.106  44.664  18.305  0.00  0.00\\nATOM    150  HB  THR A   9      33.350  44.936  17.323  0.00  0.00\\nATOM    151  HG1 THR A   9      33.034  43.587  15.470  0.00  0.00\\nATOM    152 HG21 THR A   9      34.738  43.333  18.534  0.00  0.00\\nATOM    153 HG22 THR A   9      33.396  43.904  19.554  0.00  0.00\\nATOM    154 HG23 THR A   9      33.323  42.291  18.807  0.00  0.00\\nATOM    155  N   GLY A  10      29.721  43.673  15.885  0.00  0.00\\nATOM    156  CA  GLY A  10      28.978  43.960  14.678  0.00  0.00\\nATOM    157  C   GLY A  10      29.604  43.507  13.393  0.00  0.00\\nATOM    158  H   GLY A  10      29.431  42.902  16.470  0.00  0.00\\nATOM    159  HA2 GLY A  10      27.994  43.494  14.737  0.00  0.00\\nATOM    160  HA3 GLY A  10      28.820  45.035  14.595  0.00  0.00\\nATOM    161  O   GLY A  10      29.219  43.981  12.301  0.00  0.00\\nATOM    162  OXT GLY A  10      30.479  42.686  13.409  0.00  0.00\\nTER\\nENDMDL\\n\",\"pdb\");\n",
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       "  <div class=\"tmol-viewer-note\">outcome 1 structure; independently summarized mean score 17.878; observed range 0.000</div>\n",
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       "\tviewer_17885205948275135.addModel(\"MODEL 1\\nATOM      1  N   MET A   1      27.340  24.430   2.614  0.00  0.00\\nATOM      2  CA  MET A   1      26.266  25.413   2.842  0.00  0.00\\nATOM      3  C   MET A   1      26.913  26.639   3.531  0.00  0.00\\nATOM      4  O   MET A   1      27.886  26.463   4.263  0.00  0.00\\nATOM      5  CB  MET A   1      25.112  24.880   3.649  0.00  0.00\\nATOM      6  CG  MET A   1      25.353  24.860   5.134  0.00  0.00\\nATOM      7  SD  MET A   1      23.930  23.959   5.904  0.00  0.00\\nATOM      8  CE  MET A   1      24.447  23.984   7.620  0.00  0.00\\nATOM      9  HA  MET A   1      25.864  25.717   1.875  0.00  0.00\\nATOM     10  HB2 MET A   1      24.227  25.486   3.461  0.00  0.00\\nATOM     11  HB3 MET A   1      24.886  23.861   3.332  0.00  0.00\\nATOM     12  HG2 MET A   1      26.298  24.359   5.342  0.00  0.00\\nATOM     13  HG3 MET A   1      25.421  25.882   5.505  0.00  0.00\\nATOM     14  HE1 MET A   1      23.700  23.479   8.233  0.00  0.00\\nATOM     15  HE2 MET A   1      25.405  23.472   7.719  0.00  0.00\\nATOM     16  HE3 MET A   1      24.552  25.017   7.954  0.00  0.00\\nATOM     17  H1  MET A   1      26.961  23.619   2.168  0.00  0.00\\nATOM     18  H2  MET A   1      28.043  24.834   2.029  0.00  0.00\\nATOM     19  H3  MET A   1      27.746  24.169   3.490  0.00  0.00\\nATOM     20  N   GLN A   2      26.335  27.770   3.258  0.00  0.00\\nATOM     21  CA  GLN A   2      26.850  29.021   3.898  0.00  0.00\\nATOM     22  C   GLN A   2      26.100  29.253   5.202  0.00  0.00\\nATOM     23  O   GLN A   2      24.865  29.024   5.330  0.00  0.00\\nATOM     24  CB  GLN A   2      26.688  30.235   2.979  0.00  0.00\\nATOM     25  CG  GLN A   2      27.271  31.521   3.539  0.00  0.00\\nATOM     26  CD  GLN A   2      27.146  32.683   2.571  0.00  0.00\\nATOM     27  OE1 GLN A   2      26.486  32.576   1.534  0.00  0.00\\nATOM     28  NE2 GLN A   2      27.782  33.800   2.904  0.00  0.00\\nATOM     29  H   GLN A   2      25.549  27.828   2.627  0.00  0.00\\nATOM     30  HA  GLN A   2      27.898  28.870   4.158  0.00  0.00\\nATOM     31  HB2 GLN A   2      27.173  30.035   2.023  0.00  0.00\\nATOM     32  HB3 GLN A   2      25.630  30.403   2.781  0.00  0.00\\nATOM     33  HG2 GLN A   2      26.738  31.781   4.454  0.00  0.00\\nATOM     34  HG3 GLN A   2      28.328  31.367   3.753  0.00  0.00\\nATOM     35 HE21 GLN A   2      28.306  33.843   3.755  0.00  0.00\\nATOM     36 HE22 GLN A   2      27.736  34.600   2.304  0.00  0.00\\nATOM     37  N   ILE A   3      26.849  29.656   6.217  0.00  0.00\\nATOM     38  CA  ILE A   3      26.235  30.058   7.497  0.00  0.00\\nATOM     39  C   ILE A   3      26.882  31.428   7.862  0.00  0.00\\nATOM     40  O   ILE A   3      27.906  31.711   7.264  0.00  0.00\\nATOM     41  CB  ILE A   3      26.473  29.056   8.641  0.00  0.00\\nATOM     42  CG1 ILE A   3      27.969  28.942   8.949  0.00  0.00\\nATOM     43  CG2 ILE A   3      25.895  27.695   8.286  0.00  0.00\\nATOM     44  CD1 ILE A   3      28.278  28.129  10.185  0.00  0.00\\nATOM     45  H   ILE A   3      27.854  29.691   6.121  0.00  0.00\\nATOM     46  HA  ILE A   3      25.168  30.210   7.336  0.00  0.00\\nATOM     47  HB  ILE A   3      25.992  29.419   9.549  0.00  0.00\\nATOM     48 HG12 ILE A   3      28.480  28.485   8.102  0.00  0.00\\nATOM     49 HG13 ILE A   3      28.389  29.939   9.084  0.00  0.00\\nATOM     50 HG21 ILE A   3      26.073  26.999   9.105  0.00  0.00\\nATOM     51 HG22 ILE A   3      24.823  27.789   8.115  0.00  0.00\\nATOM     52 HG23 ILE A   3      26.375  27.321   7.381  0.00  0.00\\nATOM     53 HD11 ILE A   3      29.357  28.094  10.337  0.00  0.00\\nATOM     54 HD12 ILE A   3      27.804  28.590  11.052  0.00  0.00\\nATOM     55 HD13 ILE A   3      27.898  27.116  10.058  0.00  0.00\\nATOM     56  N   PHE A   4      26.214  32.097   8.771  0.00  0.00\\nATOM     57  CA  PHE A   4      26.772  33.436   9.197  0.00  0.00\\nATOM     58  C   PHE A   4      27.151  33.362  10.650  0.00  0.00\\nATOM     59  O   PHE A   4      26.350  32.778  11.395  0.00  0.00\\nATOM     60  CB  PHE A   4      25.760  34.564   8.985  0.00  0.00\\nATOM     61  CG  PHE A   4      25.431  34.820   7.542  0.00  0.00\\nATOM     62  CD1 PHE A   4      24.348  34.195   6.942  0.00  0.00\\nATOM     63  CD2 PHE A   4      26.203  35.684   6.782  0.00  0.00\\nATOM     64  CE1 PHE A   4      24.043  34.429   5.615  0.00  0.00\\nATOM     65  CE2 PHE A   4      25.901  35.921   5.455  0.00  0.00\\nATOM     66  CZ  PHE A   4      24.820  35.292   4.871  0.00  0.00\\nATOM     67  H   PHE A   4      25.358  31.764   9.192  0.00  0.00\\nATOM     68  HA  PHE A   4      27.654  33.652   8.592  0.00  0.00\\nATOM     69  HB2 PHE A   4      24.835  34.326   9.509  0.00  0.00\\nATOM     70  HB3 PHE A   4      26.150  35.487   9.414  0.00  0.00\\nATOM     71  HD1 PHE A   4      23.733  33.513   7.531  0.00  0.00\\nATOM     72  HD2 PHE A   4      27.058  36.181   7.243  0.00  0.00\\nATOM     73  HE1 PHE A   4      23.189  33.931   5.156  0.00  0.00\\nATOM     74  HE2 PHE A   4      26.516  36.604   4.868  0.00  0.00\\nATOM     75  HZ  PHE A   4      24.581  35.477   3.824  0.00  0.00\\nATOM     76  N   LEU A   5      28.260  33.943  11.096  1.00 30.00\\nATOM     77  CA  LEU A   5      28.605  33.965  12.503  1.00 30.00\\nATOM     78  C   LEU A   5      28.638  35.461  12.900  1.00 30.00\\nATOM     79  O   LEU A   5      29.522  36.103  12.320  1.00 30.00\\nATOM     80  CB  LEU A   5      29.965  33.321  12.799  1.00 30.00\\nATOM     81  CG  LEU A   5      30.108  31.850  12.388  1.00 30.00\\nATOM     82  CD1 LEU A   5      31.541  31.392  12.627  1.00 30.00\\nATOM     83  CD2 LEU A   5      29.124  31.003  13.182  1.00 30.00\\nATOM     84  H   LEU A   5      28.880  34.382  10.431  1.00 30.00\\nATOM     85  HA  LEU A   5      27.849  33.405  13.054  1.00 30.00\\nATOM     86  HB2 LEU A   5      30.738  33.886  12.280  1.00 30.00\\nATOM     87  HB3 LEU A   5      30.155  33.386  13.871  1.00 30.00\\nATOM     88  HG  LEU A   5      29.899  31.747  11.323  1.00 30.00\\nATOM     89 HD11 LEU A   5      31.642  30.347  12.335  1.00 30.00\\nATOM     90 HD12 LEU A   5      32.221  32.002  12.033  1.00 30.00\\nATOM     91 HD13 LEU A   5      31.785  31.499  13.684  1.00 30.00\\nATOM     92 HD21 LEU A   5      29.225  29.957  12.889  1.00 30.00\\nATOM     93 HD22 LEU A   5      29.334  31.104  14.247  1.00 30.00\\nATOM     94 HD23 LEU A   5      28.108  31.340  12.979  1.00 30.00\\nATOM     95  N   LYS A   6      27.751  35.867  13.740  0.00  0.00\\nATOM     96  CA  LYS A   6      27.691  37.315  14.143  0.00  0.00\\nATOM     97  C   LYS A   6      28.469  37.475  15.420  0.00  0.00\\nATOM     98  O   LYS A   6      28.213  36.753  16.411  0.00  0.00\\nATOM     99  CB  LYS A   6      26.254  37.801  14.338  0.00  0.00\\nATOM    100  CG  LYS A   6      26.131  39.283  14.667  0.00  0.00\\nATOM    101  CD  LYS A   6      24.673  39.701  14.795  0.00  0.00\\nATOM    102  CE  LYS A   6      24.549  41.178  15.138  0.00  0.00\\nATOM    103  NZ  LYS A   6      23.128  41.602  15.266  0.00  0.00\\nATOM    104  H   LYS A   6      27.087  35.218  14.137  0.00  0.00\\nATOM    105  HA  LYS A   6      28.141  37.914  13.350  0.00  0.00\\nATOM    106  HB2 LYS A   6      25.679  37.611  13.432  0.00  0.00\\nATOM    107  HB3 LYS A   6      25.786  37.239  15.147  0.00  0.00\\nATOM    108  HG2 LYS A   6      26.643  39.491  15.607  0.00  0.00\\nATOM    109  HG3 LYS A   6      26.601  39.871  13.880  0.00  0.00\\nATOM    110  HD2 LYS A   6      24.156  39.511  13.853  0.00  0.00\\nATOM    111  HD3 LYS A   6      24.194  39.115  15.578  0.00  0.00\\nATOM    112  HE2 LYS A   6      25.060  41.377  16.079  0.00  0.00\\nATOM    113  HE3 LYS A   6      25.023  41.775  14.359  0.00  0.00\\nATOM    114  HZ1 LYS A   6      23.088  42.586  15.493  0.00  0.00\\nATOM    115  HZ2 LYS A   6      22.648  41.439  14.392  0.00  0.00\\nATOM    116  HZ3 LYS A   6      22.682  41.070  15.999  0.00  0.00\\nATOM    117  N   THR A   7      29.426  38.430  15.446  0.00  0.00\\nATOM    118  CA  THR A   7      30.225  38.643  16.662  0.00  0.00\\nATOM    119  C   THR A   7      29.664  39.839  17.434  0.00  0.00\\nATOM    120  O   THR A   7      28.850  40.565  16.859  0.00  0.00\\nATOM    121  CB  THR A   7      31.712  38.885  16.343  0.00  0.00\\nATOM    122  OG1 THR A   7      31.852  40.101  15.597  0.00  0.00\\nATOM    123  CG2 THR A   7      32.278  37.729  15.532  0.00  0.00\\nATOM    124  H   THR A   7      29.602  39.005  14.635  0.00  0.00\\nATOM    125  HA  THR A   7      30.152  37.751  17.284  0.00  0.00\\nATOM    126  HB  THR A   7      32.273  38.978  17.272  0.00  0.00\\nATOM    127  HG1 THR A   7      32.756  40.416  15.666  0.00  0.00\\nATOM    128 HG21 THR A   7      33.330  37.917  15.316  0.00  0.00\\nATOM    129 HG22 THR A   7      32.184  36.805  16.101  0.00  0.00\\nATOM    130 HG23 THR A   7      31.727  37.637  14.597  0.00  0.00\\nATOM    131  N   LEU A   8      30.132  40.069  18.642  0.00  0.00\\nATOM    132  CA  LEU A   8      29.607  41.180  19.467  0.00  0.00\\nATOM    133  C   LEU A   8      30.075  42.538  18.984  0.00  0.00\\nATOM    134  O   LEU A   8      29.586  43.570  19.483  0.00  0.00\\nATOM    135  CB  LEU A   8      30.031  40.976  20.927  0.00  0.00\\nATOM    136  CG  LEU A   8      29.430  39.751  21.629  0.00  0.00\\nATOM    137  CD1 LEU A   8      30.037  39.613  23.018  0.00  0.00\\nATOM    138  CD2 LEU A   8      27.918  39.901  21.706  0.00  0.00\\nATOM    139  H   LEU A   8      30.862  39.480  19.017  0.00  0.00\\nATOM    140  HA  LEU A   8      28.528  41.234  19.328  0.00  0.00\\nATOM    141  HB2 LEU A   8      31.115  40.880  20.964  0.00  0.00\\nATOM    142  HB3 LEU A   8      29.745  41.859  21.499  0.00  0.00\\nATOM    143  HG  LEU A   8      29.677  38.851  21.066  0.00  0.00\\nATOM    144 HD11 LEU A   8      29.610  38.743  23.517  0.00  0.00\\nATOM    145 HD12 LEU A   8      31.117  39.488  22.933  0.00  0.00\\nATOM    146 HD13 LEU A   8      29.820  40.508  23.601  0.00  0.00\\nATOM    147 HD21 LEU A   8      27.490  39.030  22.204  0.00  0.00\\nATOM    148 HD22 LEU A   8      27.669  40.800  22.270  0.00  0.00\\nATOM    149 HD23 LEU A   8      27.508  39.980  20.698  0.00  0.00\\nATOM    150  N   THR A   9      30.991  42.571  17.998  0.00  0.00\\nATOM    151  CA  THR A   9      31.422  43.940  17.553  0.00  0.00\\nATOM    152  C   THR A   9      30.755  44.351  16.277  0.00  0.00\\nATOM    153  O   THR A   9      31.207  45.268  15.566  0.00  0.00\\nATOM    154  CB  THR A   9      32.979  43.918  17.445  0.00  0.00\\nATOM    155  OG1 THR A   9      33.174  43.067  16.265  0.00  0.00\\nATOM    156  CG2 THR A   9      33.657  43.319  18.672  0.00  0.00\\nATOM    157  H   THR A   9      31.394  41.759  17.552  0.00  0.00\\nATOM    158  HA  THR A   9      31.106  44.664  18.305  0.00  0.00\\nATOM    159  HB  THR A   9      33.350  44.936  17.323  0.00  0.00\\nATOM    160  HG1 THR A   9      33.034  43.587  15.470  0.00  0.00\\nATOM    161 HG21 THR A   9      34.738  43.333  18.534  0.00  0.00\\nATOM    162 HG22 THR A   9      33.396  43.904  19.554  0.00  0.00\\nATOM    163 HG23 THR A   9      33.323  42.291  18.807  0.00  0.00\\nATOM    164  N   GLY A  10      29.721  43.673  15.885  0.00  0.00\\nATOM    165  CA  GLY A  10      28.978  43.960  14.678  0.00  0.00\\nATOM    166  C   GLY A  10      29.604  43.507  13.393  0.00  0.00\\nATOM    167  H   GLY A  10      29.431  42.902  16.470  0.00  0.00\\nATOM    168  HA2 GLY A  10      27.994  43.494  14.737  0.00  0.00\\nATOM    169  HA3 GLY A  10      28.820  45.035  14.595  0.00  0.00\\nATOM    170  O   GLY A  10      29.219  43.981  12.301  0.00  0.00\\nATOM    171  OXT GLY A  10      30.479  42.686  13.409  0.00  0.00\\nTER\\nENDMDL\\n\",\"pdb\");\n",
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       "  <div class=\"tmol-viewer-note\">outcome 1 structure; independently summarized mean score 19.630; observed range 0.000</div>\n",
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       "\tviewer_17885205948358064.addModel(\"MODEL 1\\nATOM      1  N   MET A   1      27.340  24.430   2.614  0.00  0.00\\nATOM      2  CA  MET A   1      26.266  25.413   2.842  0.00  0.00\\nATOM      3  C   MET A   1      26.913  26.639   3.531  0.00  0.00\\nATOM      4  O   MET A   1      27.886  26.463   4.263  0.00  0.00\\nATOM      5  CB  MET A   1      25.112  24.880   3.649  0.00  0.00\\nATOM      6  CG  MET A   1      25.353  24.860   5.134  0.00  0.00\\nATOM      7  SD  MET A   1      23.930  23.959   5.904  0.00  0.00\\nATOM      8  CE  MET A   1      24.447  23.984   7.620  0.00  0.00\\nATOM      9  HA  MET A   1      25.864  25.717   1.875  0.00  0.00\\nATOM     10  HB2 MET A   1      24.227  25.486   3.461  0.00  0.00\\nATOM     11  HB3 MET A   1      24.886  23.861   3.332  0.00  0.00\\nATOM     12  HG2 MET A   1      26.298  24.359   5.342  0.00  0.00\\nATOM     13  HG3 MET A   1      25.421  25.882   5.505  0.00  0.00\\nATOM     14  HE1 MET A   1      23.700  23.479   8.233  0.00  0.00\\nATOM     15  HE2 MET A   1      25.405  23.472   7.719  0.00  0.00\\nATOM     16  HE3 MET A   1      24.552  25.017   7.954  0.00  0.00\\nATOM     17  H1  MET A   1      26.961  23.619   2.168  0.00  0.00\\nATOM     18  H2  MET A   1      28.043  24.834   2.029  0.00  0.00\\nATOM     19  H3  MET A   1      27.746  24.169   3.490  0.00  0.00\\nATOM     20  N   GLN A   2      26.335  27.770   3.258  0.00  0.00\\nATOM     21  CA  GLN A   2      26.850  29.021   3.898  0.00  0.00\\nATOM     22  C   GLN A   2      26.100  29.253   5.202  0.00  0.00\\nATOM     23  O   GLN A   2      24.865  29.024   5.330  0.00  0.00\\nATOM     24  CB  GLN A   2      26.688  30.235   2.979  0.00  0.00\\nATOM     25  CG  GLN A   2      27.271  31.521   3.539  0.00  0.00\\nATOM     26  CD  GLN A   2      27.146  32.683   2.571  0.00  0.00\\nATOM     27  OE1 GLN A   2      26.486  32.576   1.534  0.00  0.00\\nATOM     28  NE2 GLN A   2      27.782  33.800   2.904  0.00  0.00\\nATOM     29  H   GLN A   2      25.549  27.828   2.627  0.00  0.00\\nATOM     30  HA  GLN A   2      27.898  28.870   4.158  0.00  0.00\\nATOM     31  HB2 GLN A   2      27.173  30.035   2.023  0.00  0.00\\nATOM     32  HB3 GLN A   2      25.630  30.403   2.781  0.00  0.00\\nATOM     33  HG2 GLN A   2      26.738  31.781   4.454  0.00  0.00\\nATOM     34  HG3 GLN A   2      28.328  31.367   3.753  0.00  0.00\\nATOM     35 HE21 GLN A   2      28.306  33.843   3.755  0.00  0.00\\nATOM     36 HE22 GLN A   2      27.736  34.600   2.304  0.00  0.00\\nATOM     37  N   ILE A   3      26.849  29.656   6.217  0.00  0.00\\nATOM     38  CA  ILE A   3      26.235  30.058   7.497  0.00  0.00\\nATOM     39  C   ILE A   3      26.882  31.428   7.862  0.00  0.00\\nATOM     40  O   ILE A   3      27.906  31.711   7.264  0.00  0.00\\nATOM     41  CB  ILE A   3      26.473  29.056   8.641  0.00  0.00\\nATOM     42  CG1 ILE A   3      27.969  28.942   8.949  0.00  0.00\\nATOM     43  CG2 ILE A   3      25.895  27.695   8.286  0.00  0.00\\nATOM     44  CD1 ILE A   3      28.278  28.129  10.185  0.00  0.00\\nATOM     45  H   ILE A   3      27.854  29.691   6.121  0.00  0.00\\nATOM     46  HA  ILE A   3      25.168  30.210   7.336  0.00  0.00\\nATOM     47  HB  ILE A   3      25.992  29.419   9.549  0.00  0.00\\nATOM     48 HG12 ILE A   3      28.480  28.485   8.102  0.00  0.00\\nATOM     49 HG13 ILE A   3      28.389  29.939   9.084  0.00  0.00\\nATOM     50 HG21 ILE A   3      26.073  26.999   9.105  0.00  0.00\\nATOM     51 HG22 ILE A   3      24.823  27.789   8.115  0.00  0.00\\nATOM     52 HG23 ILE A   3      26.375  27.321   7.381  0.00  0.00\\nATOM     53 HD11 ILE A   3      29.357  28.094  10.337  0.00  0.00\\nATOM     54 HD12 ILE A   3      27.804  28.590  11.052  0.00  0.00\\nATOM     55 HD13 ILE A   3      27.898  27.116  10.058  0.00  0.00\\nATOM     56  N   PHE A   4      26.214  32.097   8.771  0.00  0.00\\nATOM     57  CA  PHE A   4      26.772  33.436   9.197  0.00  0.00\\nATOM     58  C   PHE A   4      27.151  33.362  10.650  0.00  0.00\\nATOM     59  O   PHE A   4      26.350  32.778  11.395  0.00  0.00\\nATOM     60  CB  PHE A   4      25.760  34.564   8.985  0.00  0.00\\nATOM     61  CG  PHE A   4      25.431  34.820   7.542  0.00  0.00\\nATOM     62  CD1 PHE A   4      24.348  34.195   6.942  0.00  0.00\\nATOM     63  CD2 PHE A   4      26.203  35.684   6.782  0.00  0.00\\nATOM     64  CE1 PHE A   4      24.043  34.429   5.615  0.00  0.00\\nATOM     65  CE2 PHE A   4      25.901  35.921   5.455  0.00  0.00\\nATOM     66  CZ  PHE A   4      24.820  35.292   4.871  0.00  0.00\\nATOM     67  H   PHE A   4      25.358  31.764   9.192  0.00  0.00\\nATOM     68  HA  PHE A   4      27.654  33.652   8.592  0.00  0.00\\nATOM     69  HB2 PHE A   4      24.835  34.326   9.509  0.00  0.00\\nATOM     70  HB3 PHE A   4      26.150  35.487   9.414  0.00  0.00\\nATOM     71  HD1 PHE A   4      23.733  33.513   7.531  0.00  0.00\\nATOM     72  HD2 PHE A   4      27.058  36.181   7.243  0.00  0.00\\nATOM     73  HE1 PHE A   4      23.189  33.931   5.156  0.00  0.00\\nATOM     74  HE2 PHE A   4      26.516  36.604   4.868  0.00  0.00\\nATOM     75  HZ  PHE A   4      24.581  35.477   3.824  0.00  0.00\\nATOM     76  N   PHE A   5      28.260  33.943  11.096  1.00 30.00\\nATOM     77  CA  PHE A   5      28.605  33.965  12.503  1.00 30.00\\nATOM     78  C   PHE A   5      28.638  35.461  12.900  1.00 30.00\\nATOM     79  O   PHE A   5      29.522  36.103  12.320  1.00 30.00\\nATOM     80  CB  PHE A   5      29.960  33.322  12.805  1.00 30.00\\nATOM     81  CG  PHE A   5      30.299  33.281  14.268  1.00 30.00\\nATOM     82  CD1 PHE A   5      29.725  32.332  15.101  1.00 30.00\\nATOM     83  CD2 PHE A   5      31.191  34.192  14.814  1.00 30.00\\nATOM     84  CE1 PHE A   5      30.036  32.294  16.447  1.00 30.00\\nATOM     85  CE2 PHE A   5      31.505  34.155  16.159  1.00 30.00\\nATOM     86  CZ  PHE A   5      30.926  33.205  16.976  1.00 30.00\\nATOM     87  H   PHE A   5      28.880  34.382  10.431  1.00 30.00\\nATOM     88  HA  PHE A   5      27.849  33.405  13.054  1.00 30.00\\nATOM     89  HB2 PHE A   5      29.971  32.301  12.425  1.00 30.00\\nATOM     90  HB3 PHE A   5      30.746  33.872  12.289  1.00 30.00\\nATOM     91  HD1 PHE A   5      29.023  31.611  14.683  1.00 30.00\\nATOM     92  HD2 PHE A   5      31.648  34.942  14.168  1.00 30.00\\nATOM     93  HE1 PHE A   5      29.578  31.543  17.091  1.00 30.00\\nATOM     94  HE2 PHE A   5      32.208  34.876  16.575  1.00 30.00\\nATOM     95  HZ  PHE A   5      31.171  33.176  18.037  1.00 30.00\\nATOM     96  N   LYS A   6      27.751  35.867  13.740  0.00  0.00\\nATOM     97  CA  LYS A   6      27.691  37.315  14.143  0.00  0.00\\nATOM     98  C   LYS A   6      28.469  37.475  15.420  0.00  0.00\\nATOM     99  O   LYS A   6      28.213  36.753  16.411  0.00  0.00\\nATOM    100  CB  LYS A   6      26.254  37.801  14.338  0.00  0.00\\nATOM    101  CG  LYS A   6      26.131  39.283  14.667  0.00  0.00\\nATOM    102  CD  LYS A   6      24.673  39.701  14.795  0.00  0.00\\nATOM    103  CE  LYS A   6      24.549  41.178  15.138  0.00  0.00\\nATOM    104  NZ  LYS A   6      23.128  41.602  15.266  0.00  0.00\\nATOM    105  H   LYS A   6      27.087  35.218  14.137  0.00  0.00\\nATOM    106  HA  LYS A   6      28.141  37.914  13.350  0.00  0.00\\nATOM    107  HB2 LYS A   6      25.679  37.611  13.432  0.00  0.00\\nATOM    108  HB3 LYS A   6      25.786  37.239  15.147  0.00  0.00\\nATOM    109  HG2 LYS A   6      26.643  39.491  15.607  0.00  0.00\\nATOM    110  HG3 LYS A   6      26.601  39.871  13.880  0.00  0.00\\nATOM    111  HD2 LYS A   6      24.156  39.511  13.853  0.00  0.00\\nATOM    112  HD3 LYS A   6      24.194  39.115  15.578  0.00  0.00\\nATOM    113  HE2 LYS A   6      25.060  41.377  16.079  0.00  0.00\\nATOM    114  HE3 LYS A   6      25.023  41.775  14.359  0.00  0.00\\nATOM    115  HZ1 LYS A   6      23.088  42.586  15.493  0.00  0.00\\nATOM    116  HZ2 LYS A   6      22.648  41.439  14.392  0.00  0.00\\nATOM    117  HZ3 LYS A   6      22.682  41.070  15.999  0.00  0.00\\nATOM    118  N   THR A   7      29.426  38.430  15.446  0.00  0.00\\nATOM    119  CA  THR A   7      30.225  38.643  16.662  0.00  0.00\\nATOM    120  C   THR A   7      29.664  39.839  17.434  0.00  0.00\\nATOM    121  O   THR A   7      28.850  40.565  16.859  0.00  0.00\\nATOM    122  CB  THR A   7      31.712  38.885  16.343  0.00  0.00\\nATOM    123  OG1 THR A   7      31.852  40.101  15.597  0.00  0.00\\nATOM    124  CG2 THR A   7      32.278  37.729  15.532  0.00  0.00\\nATOM    125  H   THR A   7      29.602  39.005  14.635  0.00  0.00\\nATOM    126  HA  THR A   7      30.152  37.751  17.284  0.00  0.00\\nATOM    127  HB  THR A   7      32.273  38.978  17.272  0.00  0.00\\nATOM    128  HG1 THR A   7      32.756  40.416  15.666  0.00  0.00\\nATOM    129 HG21 THR A   7      33.330  37.917  15.316  0.00  0.00\\nATOM    130 HG22 THR A   7      32.184  36.805  16.101  0.00  0.00\\nATOM    131 HG23 THR A   7      31.727  37.637  14.597  0.00  0.00\\nATOM    132  N   LEU A   8      30.132  40.069  18.642  0.00  0.00\\nATOM    133  CA  LEU A   8      29.607  41.180  19.467  0.00  0.00\\nATOM    134  C   LEU A   8      30.075  42.538  18.984  0.00  0.00\\nATOM    135  O   LEU A   8      29.586  43.570  19.483  0.00  0.00\\nATOM    136  CB  LEU A   8      30.031  40.976  20.927  0.00  0.00\\nATOM    137  CG  LEU A   8      29.430  39.751  21.629  0.00  0.00\\nATOM    138  CD1 LEU A   8      30.037  39.613  23.018  0.00  0.00\\nATOM    139  CD2 LEU A   8      27.918  39.901  21.706  0.00  0.00\\nATOM    140  H   LEU A   8      30.862  39.480  19.017  0.00  0.00\\nATOM    141  HA  LEU A   8      28.528  41.234  19.328  0.00  0.00\\nATOM    142  HB2 LEU A   8      31.115  40.880  20.964  0.00  0.00\\nATOM    143  HB3 LEU A   8      29.745  41.859  21.499  0.00  0.00\\nATOM    144  HG  LEU A   8      29.677  38.851  21.066  0.00  0.00\\nATOM    145 HD11 LEU A   8      29.610  38.743  23.517  0.00  0.00\\nATOM    146 HD12 LEU A   8      31.117  39.488  22.933  0.00  0.00\\nATOM    147 HD13 LEU A   8      29.820  40.508  23.601  0.00  0.00\\nATOM    148 HD21 LEU A   8      27.490  39.030  22.204  0.00  0.00\\nATOM    149 HD22 LEU A   8      27.669  40.800  22.270  0.00  0.00\\nATOM    150 HD23 LEU A   8      27.508  39.980  20.698  0.00  0.00\\nATOM    151  N   THR A   9      30.991  42.571  17.998  0.00  0.00\\nATOM    152  CA  THR A   9      31.422  43.940  17.553  0.00  0.00\\nATOM    153  C   THR A   9      30.755  44.351  16.277  0.00  0.00\\nATOM    154  O   THR A   9      31.207  45.268  15.566  0.00  0.00\\nATOM    155  CB  THR A   9      32.979  43.918  17.445  0.00  0.00\\nATOM    156  OG1 THR A   9      33.174  43.067  16.265  0.00  0.00\\nATOM    157  CG2 THR A   9      33.657  43.319  18.672  0.00  0.00\\nATOM    158  H   THR A   9      31.394  41.759  17.552  0.00  0.00\\nATOM    159  HA  THR A   9      31.106  44.664  18.305  0.00  0.00\\nATOM    160  HB  THR A   9      33.350  44.936  17.323  0.00  0.00\\nATOM    161  HG1 THR A   9      33.034  43.587  15.470  0.00  0.00\\nATOM    162 HG21 THR A   9      34.738  43.333  18.534  0.00  0.00\\nATOM    163 HG22 THR A   9      33.396  43.904  19.554  0.00  0.00\\nATOM    164 HG23 THR A   9      33.323  42.291  18.807  0.00  0.00\\nATOM    165  N   GLY A  10      29.721  43.673  15.885  0.00  0.00\\nATOM    166  CA  GLY A  10      28.978  43.960  14.678  0.00  0.00\\nATOM    167  C   GLY A  10      29.604  43.507  13.393  0.00  0.00\\nATOM    168  H   GLY A  10      29.431  42.902  16.470  0.00  0.00\\nATOM    169  HA2 GLY A  10      27.994  43.494  14.737  0.00  0.00\\nATOM    170  HA3 GLY A  10      28.820  45.035  14.595  0.00  0.00\\nATOM    171  O   GLY A  10      29.219  43.981  12.301  0.00  0.00\\nATOM    172  OXT GLY A  10      30.479  42.686  13.409  0.00  0.00\\nTER\\nENDMDL\\n\",\"pdb\");\n",
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       "</script>\n",
       "</section>\n",
       "  </div>\n",
       "</div>\n",
       "<script>\n",
       "(() => {\n",
       "  const root = document.getElementById(\"tmol-switch-4bb2dd23414c4e729dbdeaef9ea4956d\");\n",
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      ],
      "text/plain": [
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     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "lowest_mean_state = scan_summary.iloc[0]\n",
    "print(\n",
    "    \"lowest mean total score in this two-outcome local scan:\",\n",
    "    lowest_mean_state[\"state\"],\n",
    "    \"(a stochastic score result, not a stability ranking)\",\n",
    ")\n",
    "summary_by_state = scan_summary.set_index(\"state\")\n",
    "try:\n",
    "    display(\n",
    "        tmol.switchable_view(\n",
    "            variant_poses,\n",
    "            notes={\n",
    "                state: (\n",
    "                    f\"outcome 1 structure; independently summarized mean score \"\n",
    "                    f\"{summary_by_state.loc[state, 'total_score_mean']:.3f}; \"\n",
    "                    f\"observed range \"\n",
    "                    f\"{summary_by_state.loc[state, 'total_score_range']:.3f}\"\n",
    "                )\n",
    "                for state in variant_poses\n",
    "            },\n",
    "            width=720,\n",
    "            height=420,\n",
    "        )\n",
    "    )\n",
    "except ImportError as exc:\n",
    "    print(\"Interactive mutation comparison unavailable:\", exc)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "e8bc4ce2",
   "metadata": {},
   "source": [
    "## Regional sequence design in a geometry-defined shell\n",
    "\n",
    "A mutation scan fixes one identity per pose. Design instead permits several identities at several positions and lets simulated annealing choose combinations jointly with side-chain conformers. The design positions define a centroid/radius adjacency shell: design blocks may change identity, neighboring shell blocks are repack-only, and all blocks outside the shell are disabled. The code verifies those blocks remain fixed to float32 reconstruction precision using each block's own coordinate offset.\n",
    "\n",
    "Here three batch members share one `PoseStack`; each pose receives its own complete packing call within the batch. On CUDA, each pose gets an independent Philox-driven full anneal (internally 500 high-temperature, 1,250 low-temperature, and 312 quench trajectories); the three poses are not three trajectories inside one annealer. On CPU, each pose uses the single-trajectory C-RNG implementation and batch members may collapse to identical results. The three members demonstrate the batched design API, not controlled CPU replicates, convergence, or identically searched replicates across devices.\n",
    "\n",
    "This is a small demonstration of TMol's lower-level task masks, not an equivalent of Rosetta resfiles, HBNet, FastDesign, or backbone design."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "id": "b21b451c",
   "metadata": {},
   "outputs": [
    {
     "data": {
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0.00  0.00\\nATOM     10  HB2 MET A   1      24.227  25.486   3.461  0.00  0.00\\nATOM     11  HB3 MET A   1      24.886  23.861   3.332  0.00  0.00\\nATOM     12  HG2 MET A   1      26.298  24.359   5.342  0.00  0.00\\nATOM     13  HG3 MET A   1      25.421  25.882   5.505  0.00  0.00\\nATOM     14  HE1 MET A   1      23.700  23.479   8.233  0.00  0.00\\nATOM     15  HE2 MET A   1      25.405  23.472   7.719  0.00  0.00\\nATOM     16  HE3 MET A   1      24.552  25.017   7.954  0.00  0.00\\nATOM     17  H1  MET A   1      26.961  23.619   2.168  0.00  0.00\\nATOM     18  H2  MET A   1      28.043  24.834   2.029  0.00  0.00\\nATOM     19  H3  MET A   1      27.746  24.169   3.490  0.00  0.00\\nATOM     20  N   GLN A   2      26.335  27.770   3.258  0.00  0.00\\nATOM     21  CA  GLN A   2      26.850  29.021   3.898  0.00  0.00\\nATOM     22  C   GLN A   2      26.100  29.253   5.202  0.00  0.00\\nATOM     23  O   GLN A   2      24.865  29.024   5.330  0.00  0.00\\nATOM     24  CB  GLN A   2      26.733  30.148   2.905  0.00  0.00\\nATOM     25  CG  GLN A   2      26.882  31.546   3.409  0.00  0.00\\nATOM     26  CD  GLN A   2      26.786  32.562   2.270  0.00  0.00\\nATOM     27  OE1 GLN A   2      25.705  32.805   1.726  0.00  0.00\\nATOM     28  NE2 GLN A   2      27.919  33.155   1.910  0.00  0.00\\nATOM     29  H   GLN A   2      25.549  27.828   2.627  0.00  0.00\\nATOM     30  HA  GLN A   2      27.898  28.870   4.158  0.00  0.00\\nATOM     31  HB2 GLN A   2      27.488  30.028   2.128  0.00  0.00\\nATOM     32  HB3 GLN A   2      25.757  30.107   2.422  0.00  0.00\\nATOM     33  HG2 GLN A   2      26.089  31.748   4.128  0.00  0.00\\nATOM     34  HG3 GLN A   2      27.856  31.647   3.889  0.00  0.00\\nATOM     35 HE21 GLN A   2      28.773  32.928   2.378  0.00  0.00\\nATOM     36 HE22 GLN A   2      27.918  33.829   1.171  0.00  0.00\\nATOM     37  N   ILE A   3      26.849  29.656   6.217  0.00  0.00\\nATOM     38  CA  ILE A   3      26.235  30.058   7.497  0.00  0.00\\nATOM     39  C   ILE A   3      26.882  31.428   7.862  0.00  0.00\\nATOM     40  O   ILE A   3      27.906  31.711   7.264  0.00  0.00\\nATOM     41  CB  ILE A   3      26.344  29.050   8.645  0.00  0.00\\nATOM     42  CG1 ILE A   3      27.810  28.748   8.999  0.00  0.00\\nATOM     43  CG2 ILE A   3      25.491  27.771   8.287  0.00  0.00\\nATOM     44  CD1 ILE A   3      27.967  28.087  10.417  0.00  0.00\\nATOM     45  H   ILE A   3      27.854  29.691   6.121  0.00  0.00\\nATOM     46  HA  ILE A   3      25.168  30.210   7.336  0.00  0.00\\nATOM     47  HB  ILE A   3      25.964  29.500   9.562  0.00  0.00\\nATOM     48 HG12 ILE A   3      28.235  28.081   8.250  0.00  0.00\\nATOM     49 HG13 ILE A   3      28.388  29.672   8.977  0.00  0.00\\nATOM     50 HG21 ILE A   3      25.563  27.047   9.098  0.00  0.00\\nATOM     51 HG22 ILE A   3      24.449  28.056   8.147  0.00  0.00\\nATOM     52 HG23 ILE A   3      25.872  27.325   7.368  0.00  0.00\\nATOM     53 HD11 ILE A   3      29.022  27.896  10.615  0.00  0.00\\nATOM     54 HD12 ILE A   3      27.571  28.760  11.178  0.00  0.00\\nATOM     55 HD13 ILE A   3      27.418  27.147  10.443  0.00  0.00\\nATOM     56  N   PHE A   4      26.214  32.097   8.771  0.00  0.00\\nATOM     57  CA  PHE A   4      26.772  33.436   9.197  0.00  0.00\\nATOM     58  C   PHE A   4      27.151  33.362  10.650  0.00  0.00\\nATOM     59  O   PHE A   4      26.350  32.778  11.395  0.00  0.00\\nATOM     60  CB  PHE A   4      25.695  34.498   8.946  0.00  0.00\\nATOM     61  CG  PHE A   4      25.288  34.609   7.499  0.00  0.00\\nATOM     62  CD1 PHE A   4      24.147  33.966   7.038  0.00  0.00\\nATOM     63  CD2 PHE A   4      26.136  35.346   6.640  0.00  0.00\\nATOM     64  CE1 PHE A   4      23.812  34.031   5.677  0.00  0.00\\nATOM     65  CE2 PHE A   4      25.810  35.392   5.267  0.00  0.00\\nATOM     66  CZ  PHE A   4      24.620  34.778   4.853  0.00  0.00\\nATOM     67  H   PHE A   4      25.358  31.764   9.192  0.00  0.00\\nATOM     68  HA  PHE A   4      27.654  33.652   8.592  0.00  0.00\\nATOM     69  HB2 PHE A   4      24.809  34.264   9.535  0.00  0.00\\nATOM     70  HB3 PHE A   4      26.059  35.470   9.276  0.00  0.00\\nATOM     71  HD1 PHE A   4      23.523  33.417   7.744  0.00  0.00\\nATOM     72  HD2 PHE A   4      27.054  35.813   6.998  0.00  0.00\\nATOM     73  HE1 PHE A   4      22.936  33.500   5.306  0.00  0.00\\nATOM     74  HE2 PHE A   4      26.451  35.884   4.536  0.00  0.00\\nATOM     75  HZ  PHE A   4      24.350  34.921   3.808  0.00  0.00\\nATOM     76  N   VAL A   5      28.260  33.943  11.096  0.00  0.00\\nATOM     77  CA  VAL A   5      28.605  33.965  12.503  0.00  0.00\\nATOM     78  C   VAL A   5      28.638  35.461  12.900  0.00  0.00\\nATOM     79  O   VAL A   5      29.522  36.103  12.320  0.00  0.00\\nATOM     80  CB  VAL A   5      29.963  33.317  12.814  0.00  0.00\\nATOM     81  CG1 VAL A   5      30.211  33.394  14.304  0.00  0.00\\nATOM     82  CG2 VAL A   5      29.957  31.838  12.352  0.00  0.00\\nATOM     83  H   VAL A   5      28.880  34.382  10.431  0.00  0.00\\nATOM     84  HA  VAL A   5      27.849  33.405  13.054  0.00  0.00\\nATOM     85  HB  VAL A   5      30.745  33.862  12.284  0.00  0.00\\nATOM     86 HG11 VAL A   5      31.173  32.937  14.537  0.00  0.00\\nATOM     87 HG12 VAL A   5      30.220  34.438  14.618  0.00  0.00\\nATOM     88 HG13 VAL A   5      29.420  32.862  14.832  0.00  0.00\\nATOM     89 HG21 VAL A   5      30.922  31.384  12.574  0.00  0.00\\nATOM     90 HG22 VAL A   5      29.171  31.296  12.877  0.00  0.00\\nATOM     91 HG23 VAL A   5      29.774  31.793  11.278  0.00  0.00\\nATOM     92  N   LYS A   6      27.751  35.867  13.740  0.00  0.00\\nATOM     93  CA  LYS A   6      27.691  37.315  14.143  0.00  0.00\\nATOM     94  C   LYS A   6      28.469  37.475  15.420  0.00  0.00\\nATOM     95  O   LYS A   6      28.213  36.753  16.411  0.00  0.00\\nATOM     96  CB  LYS A   6      26.219  37.684  14.307  0.00  0.00\\nATOM     97  CG  LYS A   6      25.884  39.139  14.615  0.00  0.00\\nATOM     98  CD  LYS A   6      24.348  39.296  14.642  0.00  0.00\\nATOM     99  CE  LYS A   6      23.865  40.723  14.749  0.00  0.00\\nATOM    100  NZ  LYS A   6      22.375  40.720  14.907  0.00  0.00\\nATOM    101  H   LYS A   6      27.087  35.218  14.137  0.00  0.00\\nATOM    102  HA  LYS A   6      28.141  37.914  13.350  0.00  0.00\\nATOM    103  HB2 LYS A   6      25.678  37.436  13.394  0.00  0.00\\nATOM    104  HB3 LYS A   6      25.784  37.096  15.115  0.00  0.00\\nATOM    105  HG2 LYS A   6      26.311  39.414  15.580  0.00  0.00\\nATOM    106  HG3 LYS A   6      26.318  39.782  13.850  0.00  0.00\\nATOM    107  HD2 LYS A   6      23.923  38.876  13.729  0.00  0.00\\nATOM    108  HD3 LYS A   6      23.942  38.752  15.495  0.00  0.00\\nATOM    109  HE2 LYS A   6      24.336  41.203  15.605  0.00  0.00\\nATOM    110  HE3 LYS A   6      24.149  41.272  13.851  0.00  0.00\\nATOM    111  HZ1 LYS A   6      22.042  41.671  14.979  0.00  0.00\\nATOM    112  HZ2 LYS A   6      21.952  40.275  14.105  0.00  0.00\\nATOM    113  HZ3 LYS A   6      22.126  40.212  15.744  0.00  0.00\\nATOM    114  N   THR A   7      29.426  38.430  15.446  0.00  0.00\\nATOM    115  CA  THR A   7      30.225  38.643  16.662  0.00  0.00\\nATOM    116  C   THR A   7      29.664  39.839  17.434  0.00  0.00\\nATOM    117  O   THR A   7      28.850  40.565  16.859  0.00  0.00\\nATOM    118  CB  THR A   7      31.744  38.879  16.299  0.00  0.00\\nATOM    119  OG1 THR A   7      31.737  40.257  15.824  0.00  0.00\\nATOM    120  CG2 THR A   7      32.260  37.969  15.171  0.00  0.00\\nATOM    121  H   THR A   7      29.602  39.005  14.635  0.00  0.00\\nATOM    122  HA  THR A   7      30.152  37.751  17.284  0.00  0.00\\nATOM    123  HB  THR A   7      32.361  38.694  17.178  0.00  0.00\\nATOM    124  HG1 THR A   7      32.628  40.512  15.571  0.00  0.00\\nATOM    125 HG21 THR A   7      33.310  38.189  14.978  0.00  0.00\\nATOM    126 HG22 THR A   7      32.156  36.926  15.469  0.00  0.00\\nATOM    127 HG23 THR A   7      31.680  38.147  14.266  0.00  0.00\\nATOM    128  N   LEU A   8      30.132  40.069  18.642  0.00  0.00\\nATOM    129  CA  LEU A   8      29.607  41.180  19.467  0.00  0.00\\nATOM    130  C   LEU A   8      30.075  42.538  18.984  0.00  0.00\\nATOM    131  O   LEU A   8      29.586  43.570  19.483  0.00  0.00\\nATOM    132  CB  LEU A   8      29.919  40.890  20.938  0.00  0.00\\nATOM    133  CG  LEU A   8      29.183  39.722  21.581  0.00  0.00\\nATOM    134  CD1 LEU A   8      29.308  39.750  23.095  0.00  0.00\\nATOM    135  CD2 LEU A   8      27.700  39.721  21.228  0.00  0.00\\nATOM    136  H   LEU A   8      30.862  39.480  19.017  0.00  0.00\\nATOM    137  HA  LEU A   8      28.528  41.234  19.328  0.00  0.00\\nATOM    138  HB2 LEU A   8      30.985  40.688  21.034  0.00  0.00\\nATOM    139  HB3 LEU A   8      29.684  41.778  21.525  0.00  0.00\\nATOM    140  HG  LEU A   8      29.617  38.783  21.235  0.00  0.00\\nATOM    141 HD11 LEU A   8      28.771  38.902  23.520  0.00  0.00\\nATOM    142 HD12 LEU A   8      30.360  39.689  23.374  0.00  0.00\\nATOM    143 HD13 LEU A   8      28.883  40.677  23.478  0.00  0.00\\nATOM    144 HD21 LEU A   8      27.213  38.871  21.706  0.00  0.00\\nATOM    145 HD22 LEU A   8      27.242  40.646  21.578  0.00  0.00\\nATOM    146 HD23 LEU A   8      27.583  39.645  20.147  0.00  0.00\\nATOM    147  N   THR A   9      30.991  42.571  17.998  0.00  0.00\\nATOM    148  CA  THR A   9      31.422  43.940  17.553  0.00  0.00\\nATOM    149  C   THR A   9      30.755  44.351  16.277  0.00  0.00\\nATOM    150  O   THR A   9      31.207  45.268  15.566  0.00  0.00\\nATOM    151  CB  THR A   9      32.979  43.918  17.445  0.00  0.00\\nATOM    152  OG1 THR A   9      33.174  43.067  16.265  0.00  0.00\\nATOM    153  CG2 THR A   9      33.657  43.319  18.672  0.00  0.00\\nATOM    154  H   THR A   9      31.394  41.759  17.552  0.00  0.00\\nATOM    155  HA  THR A   9      31.106  44.664  18.305  0.00  0.00\\nATOM    156  HB  THR A   9      33.350  44.936  17.323  0.00  0.00\\nATOM    157  HG1 THR A   9      33.034  43.587  15.470  0.00  0.00\\nATOM    158 HG21 THR A   9      34.738  43.333  18.534  0.00  0.00\\nATOM    159 HG22 THR A   9      33.396  43.904  19.554  0.00  0.00\\nATOM    160 HG23 THR A   9      33.323  42.291  18.807  0.00  0.00\\nATOM    161  N   GLY A  10      29.721  43.673  15.885  0.00  0.00\\nATOM    162  CA  GLY A  10      28.978  43.960  14.678  0.00  0.00\\nATOM    163  C   GLY A  10      29.604  43.507  13.393  0.00  0.00\\nATOM    164  H   GLY A  10      29.431  42.902  16.470  0.00  0.00\\nATOM    165  HA2 GLY A  10      27.994  43.494  14.737  0.00  0.00\\nATOM    166  HA3 GLY A  10      28.820  45.035  14.595  0.00  0.00\\nATOM    167  O   GLY A  10      29.219  43.981  12.301  0.00  0.00\\nATOM    168  OXT GLY A  10      30.479  42.686  13.409  0.00  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       "\tviewer_17885205958828404.addModel(\"MODEL 1\\nATOM      1  N   MET A   1      27.340  24.430   2.614  0.00  0.00\\nATOM      2  CA  MET A   1      26.266  25.413   2.842  0.00  0.00\\nATOM      3  C   MET A   1      26.913  26.639   3.531  0.00  0.00\\nATOM      4  O   MET A   1      27.886  26.463   4.263  0.00  0.00\\nATOM      5  CB  MET A   1      25.112  24.880   3.649  0.00  0.00\\nATOM      6  CG  MET A   1      25.353  24.860   5.134  0.00  0.00\\nATOM      7  SD  MET A   1      23.930  23.959   5.904  0.00  0.00\\nATOM      8  CE  MET A   1      24.447  23.984   7.620  0.00  0.00\\nATOM      9  HA  MET A   1      25.864  25.717   1.875  0.00  0.00\\nATOM     10  HB2 MET A   1      24.227  25.486   3.461  0.00  0.00\\nATOM     11  HB3 MET A   1      24.886  23.861   3.332  0.00  0.00\\nATOM     12  HG2 MET A   1      26.298  24.359   5.342  0.00  0.00\\nATOM     13  HG3 MET A   1      25.421  25.882   5.505  0.00  0.00\\nATOM     14  HE1 MET A   1      23.700  23.479   8.233  0.00  0.00\\nATOM     15  HE2 MET A   1      25.405  23.472   7.719  0.00  0.00\\nATOM     16  HE3 MET A   1      24.552  25.017   7.954  0.00  0.00\\nATOM     17  H1  MET A   1      26.961  23.619   2.168  0.00  0.00\\nATOM     18  H2  MET A   1      28.043  24.834   2.029  0.00  0.00\\nATOM     19  H3  MET A   1      27.746  24.169   3.490  0.00  0.00\\nATOM     20  N   GLN A   2      26.335  27.770   3.258  0.00  0.00\\nATOM     21  CA  GLN A   2      26.850  29.021   3.898  0.00  0.00\\nATOM     22  C   GLN A   2      26.100  29.253   5.202  0.00  0.00\\nATOM     23  O   GLN A   2      24.865  29.024   5.330  0.00  0.00\\nATOM     24  CB  GLN A   2      26.733  30.148   2.905  0.00  0.00\\nATOM     25  CG  GLN A   2      26.882  31.546   3.409  0.00  0.00\\nATOM     26  CD  GLN A   2      26.786  32.562   2.270  0.00  0.00\\nATOM     27  OE1 GLN A   2      25.705  32.805   1.726  0.00  0.00\\nATOM     28  NE2 GLN A   2      27.919  33.155   1.910  0.00  0.00\\nATOM     29  H   GLN A   2      25.549  27.828   2.627  0.00  0.00\\nATOM     30  HA  GLN A   2      27.898  28.870   4.158  0.00  0.00\\nATOM     31  HB2 GLN A   2      27.488  30.028   2.128  0.00  0.00\\nATOM     32  HB3 GLN A   2      25.757  30.107   2.422  0.00  0.00\\nATOM     33  HG2 GLN A   2      26.089  31.748   4.128  0.00  0.00\\nATOM     34  HG3 GLN A   2      27.856  31.647   3.889  0.00  0.00\\nATOM     35 HE21 GLN A   2      28.773  32.928   2.378  0.00  0.00\\nATOM     36 HE22 GLN A   2      27.918  33.829   1.171  0.00  0.00\\nATOM     37  N   ILE A   3      26.849  29.656   6.217  0.00  0.00\\nATOM     38  CA  ILE A   3      26.235  30.058   7.497  0.00  0.00\\nATOM     39  C   ILE A   3      26.882  31.428   7.862  0.00  0.00\\nATOM     40  O   ILE A   3      27.906  31.711   7.264  0.00  0.00\\nATOM     41  CB  ILE A   3      26.344  29.050   8.645  0.00  0.00\\nATOM     42  CG1 ILE A   3      27.810  28.748   8.999  0.00  0.00\\nATOM     43  CG2 ILE A   3      25.491  27.771   8.287  0.00  0.00\\nATOM     44  CD1 ILE A   3      27.967  28.087  10.417  0.00  0.00\\nATOM     45  H   ILE A   3      27.854  29.691   6.121  0.00  0.00\\nATOM     46  HA  ILE A   3      25.168  30.210   7.336  0.00  0.00\\nATOM     47  HB  ILE A   3      25.964  29.500   9.562  0.00  0.00\\nATOM     48 HG12 ILE A   3      28.235  28.081   8.250  0.00  0.00\\nATOM     49 HG13 ILE A   3      28.388  29.672   8.977  0.00  0.00\\nATOM     50 HG21 ILE A   3      25.563  27.047   9.098  0.00  0.00\\nATOM     51 HG22 ILE A   3      24.449  28.056   8.147  0.00  0.00\\nATOM     52 HG23 ILE A   3      25.872  27.325   7.368  0.00  0.00\\nATOM     53 HD11 ILE A   3      29.022  27.896  10.615  0.00  0.00\\nATOM     54 HD12 ILE A   3      27.571  28.760  11.178  0.00  0.00\\nATOM     55 HD13 ILE A   3      27.418  27.147  10.443  0.00  0.00\\nATOM     56  N   PHE A   4      26.214  32.097   8.771  0.00  0.00\\nATOM     57  CA  PHE A   4      26.772  33.436   9.197  0.00  0.00\\nATOM     58  C   PHE A   4      27.151  33.362  10.650  0.00  0.00\\nATOM     59  O   PHE A   4      26.350  32.778  11.395  0.00  0.00\\nATOM     60  CB  PHE A   4      25.695  34.498   8.946  0.00  0.00\\nATOM     61  CG  PHE A   4      25.288  34.609   7.499  0.00  0.00\\nATOM     62  CD1 PHE A   4      24.147  33.966   7.038  0.00  0.00\\nATOM     63  CD2 PHE A   4      26.136  35.346   6.640  0.00  0.00\\nATOM     64  CE1 PHE A   4      23.812  34.031   5.677  0.00  0.00\\nATOM     65  CE2 PHE A   4      25.810  35.392   5.267  0.00  0.00\\nATOM     66  CZ  PHE A   4      24.620  34.778   4.853  0.00  0.00\\nATOM     67  H   PHE A   4      25.358  31.764   9.192  0.00  0.00\\nATOM     68  HA  PHE A   4      27.654  33.652   8.592  0.00  0.00\\nATOM     69  HB2 PHE A   4      24.809  34.264   9.535  0.00  0.00\\nATOM     70  HB3 PHE A   4      26.059  35.470   9.276  0.00  0.00\\nATOM     71  HD1 PHE A   4      23.523  33.417   7.744  0.00  0.00\\nATOM     72  HD2 PHE A   4      27.054  35.813   6.998  0.00  0.00\\nATOM     73  HE1 PHE A   4      22.936  33.500   5.306  0.00  0.00\\nATOM     74  HE2 PHE A   4      26.451  35.884   4.536  0.00  0.00\\nATOM     75  HZ  PHE A   4      24.350  34.921   3.808  0.00  0.00\\nATOM     76  N   VAL A   5      28.260  33.943  11.096  0.00  0.00\\nATOM     77  CA  VAL A   5      28.605  33.965  12.503  0.00  0.00\\nATOM     78  C   VAL A   5      28.638  35.461  12.900  0.00  0.00\\nATOM     79  O   VAL A   5      29.522  36.103  12.320  0.00  0.00\\nATOM     80  CB  VAL A   5      29.963  33.317  12.814  0.00  0.00\\nATOM     81  CG1 VAL A   5      30.211  33.394  14.304  0.00  0.00\\nATOM     82  CG2 VAL A   5      29.957  31.838  12.352  0.00  0.00\\nATOM     83  H   VAL A   5      28.880  34.382  10.431  0.00  0.00\\nATOM     84  HA  VAL A   5      27.849  33.405  13.054  0.00  0.00\\nATOM     85  HB  VAL A   5      30.745  33.862  12.284  0.00  0.00\\nATOM     86 HG11 VAL A   5      31.173  32.937  14.537  0.00  0.00\\nATOM     87 HG12 VAL A   5      30.220  34.438  14.618  0.00  0.00\\nATOM     88 HG13 VAL A   5      29.420  32.862  14.832  0.00  0.00\\nATOM     89 HG21 VAL A   5      30.922  31.384  12.574  0.00  0.00\\nATOM     90 HG22 VAL A   5      29.171  31.296  12.877  0.00  0.00\\nATOM     91 HG23 VAL A   5      29.774  31.793  11.278  0.00  0.00\\nATOM     92  N   LYS A   6      27.751  35.867  13.740  0.00  0.00\\nATOM     93  CA  LYS A   6      27.691  37.315  14.143  0.00  0.00\\nATOM     94  C   LYS A   6      28.469  37.475  15.420  0.00  0.00\\nATOM     95  O   LYS A   6      28.213  36.753  16.411  0.00  0.00\\nATOM     96  CB  LYS A   6      26.219  37.684  14.307  0.00  0.00\\nATOM     97  CG  LYS A   6      25.884  39.139  14.615  0.00  0.00\\nATOM     98  CD  LYS A   6      24.348  39.296  14.642  0.00  0.00\\nATOM     99  CE  LYS A   6      23.865  40.723  14.749  0.00  0.00\\nATOM    100  NZ  LYS A   6      22.375  40.720  14.907  0.00  0.00\\nATOM    101  H   LYS A   6      27.087  35.218  14.137  0.00  0.00\\nATOM    102  HA  LYS A   6      28.141  37.914  13.350  0.00  0.00\\nATOM    103  HB2 LYS A   6      25.678  37.436  13.394  0.00  0.00\\nATOM    104  HB3 LYS A   6      25.784  37.096  15.115  0.00  0.00\\nATOM    105  HG2 LYS A   6      26.311  39.414  15.580  0.00  0.00\\nATOM    106  HG3 LYS A   6      26.318  39.782  13.850  0.00  0.00\\nATOM    107  HD2 LYS A   6      23.923  38.876  13.729  0.00  0.00\\nATOM    108  HD3 LYS A   6      23.942  38.752  15.495  0.00  0.00\\nATOM    109  HE2 LYS A   6      24.336  41.203  15.605  0.00  0.00\\nATOM    110  HE3 LYS A   6      24.149  41.272  13.851  0.00  0.00\\nATOM    111  HZ1 LYS A   6      22.042  41.671  14.979  0.00  0.00\\nATOM    112  HZ2 LYS A   6      21.952  40.275  14.105  0.00  0.00\\nATOM    113  HZ3 LYS A   6      22.126  40.212  15.744  0.00  0.00\\nATOM    114  N   THR A   7      29.426  38.430  15.446  0.00  0.00\\nATOM    115  CA  THR A   7      30.225  38.643  16.662  0.00  0.00\\nATOM    116  C   THR A   7      29.664  39.839  17.434  0.00  0.00\\nATOM    117  O   THR A   7      28.850  40.565  16.859  0.00  0.00\\nATOM    118  CB  THR A   7      31.744  38.879  16.299  0.00  0.00\\nATOM    119  OG1 THR A   7      31.737  40.257  15.824  0.00  0.00\\nATOM    120  CG2 THR A   7      32.260  37.969  15.171  0.00  0.00\\nATOM    121  H   THR A   7      29.602  39.005  14.635  0.00  0.00\\nATOM    122  HA  THR A   7      30.152  37.751  17.284  0.00  0.00\\nATOM    123  HB  THR A   7      32.361  38.694  17.178  0.00  0.00\\nATOM    124  HG1 THR A   7      32.628  40.512  15.571  0.00  0.00\\nATOM    125 HG21 THR A   7      33.310  38.189  14.978  0.00  0.00\\nATOM    126 HG22 THR A   7      32.156  36.926  15.469  0.00  0.00\\nATOM    127 HG23 THR A   7      31.680  38.147  14.266  0.00  0.00\\nATOM    128  N   LEU A   8      30.132  40.069  18.642  0.00  0.00\\nATOM    129  CA  LEU A   8      29.607  41.180  19.467  0.00  0.00\\nATOM    130  C   LEU A   8      30.075  42.538  18.984  0.00  0.00\\nATOM    131  O   LEU A   8      29.586  43.570  19.483  0.00  0.00\\nATOM    132  CB  LEU A   8      29.919  40.890  20.938  0.00  0.00\\nATOM    133  CG  LEU A   8      29.183  39.722  21.581  0.00  0.00\\nATOM    134  CD1 LEU A   8      29.308  39.750  23.095  0.00  0.00\\nATOM    135  CD2 LEU A   8      27.700  39.721  21.228  0.00  0.00\\nATOM    136  H   LEU A   8      30.862  39.480  19.017  0.00  0.00\\nATOM    137  HA  LEU A   8      28.528  41.234  19.328  0.00  0.00\\nATOM    138  HB2 LEU A   8      30.985  40.688  21.034  0.00  0.00\\nATOM    139  HB3 LEU A   8      29.684  41.778  21.525  0.00  0.00\\nATOM    140  HG  LEU A   8      29.617  38.783  21.235  0.00  0.00\\nATOM    141 HD11 LEU A   8      28.771  38.902  23.520  0.00  0.00\\nATOM    142 HD12 LEU A   8      30.360  39.689  23.374  0.00  0.00\\nATOM    143 HD13 LEU A   8      28.883  40.677  23.478  0.00  0.00\\nATOM    144 HD21 LEU A   8      27.213  38.871  21.706  0.00  0.00\\nATOM    145 HD22 LEU A   8      27.242  40.646  21.578  0.00  0.00\\nATOM    146 HD23 LEU A   8      27.583  39.645  20.147  0.00  0.00\\nATOM    147  N   THR A   9      30.991  42.571  17.998  0.00  0.00\\nATOM    148  CA  THR A   9      31.422  43.940  17.553  0.00  0.00\\nATOM    149  C   THR A   9      30.755  44.351  16.277  0.00  0.00\\nATOM    150  O   THR A   9      31.207  45.268  15.566  0.00  0.00\\nATOM    151  CB  THR A   9      32.979  43.918  17.445  0.00  0.00\\nATOM    152  OG1 THR A   9      33.174  43.067  16.265  0.00  0.00\\nATOM    153  CG2 THR A   9      33.657  43.319  18.672  0.00  0.00\\nATOM    154  H   THR A   9      31.394  41.759  17.552  0.00  0.00\\nATOM    155  HA  THR A   9      31.106  44.664  18.305  0.00  0.00\\nATOM    156  HB  THR A   9      33.350  44.936  17.323  0.00  0.00\\nATOM    157  HG1 THR A   9      33.034  43.587  15.470  0.00  0.00\\nATOM    158 HG21 THR A   9      34.738  43.333  18.534  0.00  0.00\\nATOM    159 HG22 THR A   9      33.396  43.904  19.554  0.00  0.00\\nATOM    160 HG23 THR A   9      33.323  42.291  18.807  0.00  0.00\\nATOM    161  N   GLY A  10      29.721  43.673  15.885  0.00  0.00\\nATOM    162  CA  GLY A  10      28.978  43.960  14.678  0.00  0.00\\nATOM    163  C   GLY A  10      29.604  43.507  13.393  0.00  0.00\\nATOM    164  H   GLY A  10      29.431  42.902  16.470  0.00  0.00\\nATOM    165  HA2 GLY A  10      27.994  43.494  14.737  0.00  0.00\\nATOM    166  HA3 GLY A  10      28.820  45.035  14.595  0.00  0.00\\nATOM    167  O   GLY A  10      29.219  43.981  12.301  0.00  0.00\\nATOM    168  OXT GLY A  10      30.479  42.686  13.409  0.00  0.00\\nTER\\nENDMDL\\n\",\"pdb\");\n",
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       "viewer_17885205958930185.zoomTo();\n",
       "\tviewer_17885205958930185.addModel(\"MODEL 1\\nATOM      1  N   MET A   1      27.340  24.430   2.614  0.00  0.00\\nATOM      2  CA  MET A   1      26.266  25.413   2.842  0.00  0.00\\nATOM      3  C   MET A   1      26.913  26.639   3.531  0.00  0.00\\nATOM      4  O   MET A   1      27.886  26.463   4.263  0.00  0.00\\nATOM      5  CB  MET A   1      25.112  24.880   3.649  0.00  0.00\\nATOM      6  CG  MET A   1      25.353  24.860   5.134  0.00  0.00\\nATOM      7  SD  MET A   1      23.930  23.959   5.904  0.00  0.00\\nATOM      8  CE  MET A   1      24.447  23.984   7.620  0.00  0.00\\nATOM      9  HA  MET A   1      25.864  25.717   1.875  0.00  0.00\\nATOM     10  HB2 MET A   1      24.227  25.486   3.461  0.00  0.00\\nATOM     11  HB3 MET A   1      24.886  23.861   3.332  0.00  0.00\\nATOM     12  HG2 MET A   1      26.298  24.359   5.342  0.00  0.00\\nATOM     13  HG3 MET A   1      25.421  25.882   5.505  0.00  0.00\\nATOM     14  HE1 MET A   1      23.700  23.479   8.233  0.00  0.00\\nATOM     15  HE2 MET A   1      25.405  23.472   7.719  0.00  0.00\\nATOM     16  HE3 MET A   1      24.552  25.017   7.954  0.00  0.00\\nATOM     17  H1  MET A   1      26.961  23.619   2.168  0.00  0.00\\nATOM     18  H2  MET A   1      28.043  24.834   2.029  0.00  0.00\\nATOM     19  H3  MET A   1      27.746  24.169   3.490  0.00  0.00\\nATOM     20  N   GLN A   2      26.335  27.770   3.258  0.00  0.00\\nATOM     21  CA  GLN A   2      26.850  29.021   3.898  0.00  0.00\\nATOM     22  C   GLN A   2      26.100  29.253   5.202  0.00  0.00\\nATOM     23  O   GLN A   2      24.865  29.024   5.330  0.00  0.00\\nATOM     24  CB  GLN A   2      26.688  30.235   2.979  0.00  0.00\\nATOM     25  CG  GLN A   2      27.271  31.521   3.539  0.00  0.00\\nATOM     26  CD  GLN A   2      27.146  32.683   2.571  0.00  0.00\\nATOM     27  OE1 GLN A   2      26.486  32.576   1.534  0.00  0.00\\nATOM     28  NE2 GLN A   2      27.782  33.800   2.904  0.00  0.00\\nATOM     29  H   GLN A   2      25.549  27.828   2.627  0.00  0.00\\nATOM     30  HA  GLN A   2      27.898  28.870   4.158  0.00  0.00\\nATOM     31  HB2 GLN A   2      27.173  30.035   2.023  0.00  0.00\\nATOM     32  HB3 GLN A   2      25.630  30.403   2.781  0.00  0.00\\nATOM     33  HG2 GLN A   2      26.738  31.781   4.454  0.00  0.00\\nATOM     34  HG3 GLN A   2      28.328  31.367   3.753  0.00  0.00\\nATOM     35 HE21 GLN A   2      28.306  33.843   3.755  0.00  0.00\\nATOM     36 HE22 GLN A   2      27.736  34.600   2.304  0.00  0.00\\nATOM     37  N   ILE A   3      26.849  29.656   6.217  0.00  0.00\\nATOM     38  CA  ILE A   3      26.235  30.058   7.497  0.00  0.00\\nATOM     39  C   ILE A   3      26.882  31.428   7.862  0.00  0.00\\nATOM     40  O   ILE A   3      27.906  31.711   7.264  0.00  0.00\\nATOM     41  CB  ILE A   3      26.473  29.056   8.641  0.00  0.00\\nATOM     42  CG1 ILE A   3      27.969  28.942   8.949  0.00  0.00\\nATOM     43  CG2 ILE A   3      25.895  27.695   8.286  0.00  0.00\\nATOM     44  CD1 ILE A   3      28.278  28.129  10.185  0.00  0.00\\nATOM     45  H   ILE A   3      27.854  29.691   6.121  0.00  0.00\\nATOM     46  HA  ILE A   3      25.168  30.210   7.336  0.00  0.00\\nATOM     47  HB  ILE A   3      25.992  29.419   9.549  0.00  0.00\\nATOM     48 HG12 ILE A   3      28.480  28.485   8.102  0.00  0.00\\nATOM     49 HG13 ILE A   3      28.389  29.939   9.084  0.00  0.00\\nATOM     50 HG21 ILE A   3      26.073  26.999   9.105  0.00  0.00\\nATOM     51 HG22 ILE A   3      24.823  27.789   8.115  0.00  0.00\\nATOM     52 HG23 ILE A   3      26.375  27.321   7.381  0.00  0.00\\nATOM     53 HD11 ILE A   3      29.357  28.094  10.337  0.00  0.00\\nATOM     54 HD12 ILE A   3      27.804  28.590  11.052  0.00  0.00\\nATOM     55 HD13 ILE A   3      27.898  27.116  10.058  0.00  0.00\\nATOM     56  N   PHE A   4      26.214  32.097   8.771  0.00  0.00\\nATOM     57  CA  PHE A   4      26.772  33.436   9.197  0.00  0.00\\nATOM     58  C   PHE A   4      27.151  33.362  10.650  0.00  0.00\\nATOM     59  O   PHE A   4      26.350  32.778  11.395  0.00  0.00\\nATOM     60  CB  PHE A   4      25.760  34.564   8.985  0.00  0.00\\nATOM     61  CG  PHE A   4      25.431  34.820   7.542  0.00  0.00\\nATOM     62  CD1 PHE A   4      24.348  34.195   6.942  0.00  0.00\\nATOM     63  CD2 PHE A   4      26.203  35.684   6.782  0.00  0.00\\nATOM     64  CE1 PHE A   4      24.043  34.429   5.615  0.00  0.00\\nATOM     65  CE2 PHE A   4      25.901  35.921   5.455  0.00  0.00\\nATOM     66  CZ  PHE A   4      24.820  35.292   4.871  0.00  0.00\\nATOM     67  H   PHE A   4      25.358  31.764   9.192  0.00  0.00\\nATOM     68  HA  PHE A   4      27.654  33.652   8.592  0.00  0.00\\nATOM     69  HB2 PHE A   4      24.835  34.326   9.509  0.00  0.00\\nATOM     70  HB3 PHE A   4      26.150  35.487   9.414  0.00  0.00\\nATOM     71  HD1 PHE A   4      23.733  33.513   7.531  0.00  0.00\\nATOM     72  HD2 PHE A   4      27.058  36.181   7.243  0.00  0.00\\nATOM     73  HE1 PHE A   4      23.189  33.931   5.156  0.00  0.00\\nATOM     74  HE2 PHE A   4      26.516  36.604   4.868  0.00  0.00\\nATOM     75  HZ  PHE A   4      24.581  35.477   3.824  0.00  0.00\\nATOM     76  N   VAL A   5      28.260  33.943  11.096  0.00  0.00\\nATOM     77  CA  VAL A   5      28.605  33.965  12.503  0.00  0.00\\nATOM     78  C   VAL A   5      28.638  35.461  12.900  0.00  0.00\\nATOM     79  O   VAL A   5      29.522  36.103  12.320  0.00  0.00\\nATOM     80  CB  VAL A   5      29.975  33.328  12.801  0.00  0.00\\nATOM     81  CG1 VAL A   5      30.284  33.399  14.289  0.00  0.00\\nATOM     82  CG2 VAL A   5      29.992  31.886  12.315  0.00  0.00\\nATOM     83  H   VAL A   5      28.880  34.382  10.431  0.00  0.00\\nATOM     84  HA  VAL A   5      27.849  33.405  13.054  0.00  0.00\\nATOM     85  HB  VAL A   5      30.749  33.895  12.284  0.00  0.00\\nATOM     86 HG11 VAL A   5      31.256  32.945  14.481  0.00  0.00\\nATOM     87 HG12 VAL A   5      30.303  34.442  14.606  0.00  0.00\\nATOM     88 HG13 VAL A   5      29.517  32.863  14.846  0.00  0.00\\nATOM     89 HG21 VAL A   5      30.964  31.442  12.528  0.00  0.00\\nATOM     90 HG22 VAL A   5      29.214  31.320  12.828  0.00  0.00\\nATOM     91 HG23 VAL A   5      29.810  31.862  11.241  0.00  0.00\\nATOM     92  N   LYS A   6      27.751  35.867  13.740  0.00  0.00\\nATOM     93  CA  LYS A   6      27.691  37.315  14.143  0.00  0.00\\nATOM     94  C   LYS A   6      28.469  37.475  15.420  0.00  0.00\\nATOM     95  O   LYS A   6      28.213  36.753  16.411  0.00  0.00\\nATOM     96  CB  LYS A   6      26.254  37.801  14.338  0.00  0.00\\nATOM     97  CG  LYS A   6      26.131  39.283  14.667  0.00  0.00\\nATOM     98  CD  LYS A   6      24.673  39.701  14.795  0.00  0.00\\nATOM     99  CE  LYS A   6      24.549  41.178  15.138  0.00  0.00\\nATOM    100  NZ  LYS A   6      23.128  41.602  15.266  0.00  0.00\\nATOM    101  H   LYS A   6      27.087  35.218  14.137  0.00  0.00\\nATOM    102  HA  LYS A   6      28.141  37.914  13.350  0.00  0.00\\nATOM    103  HB2 LYS A   6      25.679  37.611  13.432  0.00  0.00\\nATOM    104  HB3 LYS A   6      25.786  37.239  15.147  0.00  0.00\\nATOM    105  HG2 LYS A   6      26.643  39.491  15.607  0.00  0.00\\nATOM    106  HG3 LYS A   6      26.601  39.871  13.880  0.00  0.00\\nATOM    107  HD2 LYS A   6      24.156  39.511  13.853  0.00  0.00\\nATOM    108  HD3 LYS A   6      24.194  39.115  15.578  0.00  0.00\\nATOM    109  HE2 LYS A   6      25.060  41.377  16.079  0.00  0.00\\nATOM    110  HE3 LYS A   6      25.023  41.775  14.359  0.00  0.00\\nATOM    111  HZ1 LYS A   6      23.088  42.586  15.493  0.00  0.00\\nATOM    112  HZ2 LYS A   6      22.648  41.439  14.392  0.00  0.00\\nATOM    113  HZ3 LYS A   6      22.682  41.070  15.999  0.00  0.00\\nATOM    114  N   THR A   7      29.426  38.430  15.446  0.00  0.00\\nATOM    115  CA  THR A   7      30.225  38.643  16.662  0.00  0.00\\nATOM    116  C   THR A   7      29.664  39.839  17.434  0.00  0.00\\nATOM    117  O   THR A   7      28.850  40.565  16.859  0.00  0.00\\nATOM    118  CB  THR A   7      31.712  38.885  16.343  0.00  0.00\\nATOM    119  OG1 THR A   7      31.852  40.101  15.597  0.00  0.00\\nATOM    120  CG2 THR A   7      32.278  37.729  15.532  0.00  0.00\\nATOM    121  H   THR A   7      29.602  39.005  14.635  0.00  0.00\\nATOM    122  HA  THR A   7      30.152  37.751  17.284  0.00  0.00\\nATOM    123  HB  THR A   7      32.273  38.978  17.272  0.00  0.00\\nATOM    124  HG1 THR A   7      32.780  40.250  15.399  0.00  0.00\\nATOM    125 HG21 THR A   7      33.330  37.917  15.316  0.00  0.00\\nATOM    126 HG22 THR A   7      32.184  36.805  16.101  0.00  0.00\\nATOM    127 HG23 THR A   7      31.727  37.637  14.597  0.00  0.00\\nATOM    128  N   LEU A   8      30.132  40.069  18.642  0.00  0.00\\nATOM    129  CA  LEU A   8      29.607  41.180  19.467  0.00  0.00\\nATOM    130  C   LEU A   8      30.075  42.538  18.984  0.00  0.00\\nATOM    131  O   LEU A   8      29.586  43.570  19.483  0.00  0.00\\nATOM    132  CB  LEU A   8      30.031  40.976  20.927  0.00  0.00\\nATOM    133  CG  LEU A   8      29.430  39.751  21.629  0.00  0.00\\nATOM    134  CD1 LEU A   8      30.037  39.613  23.018  0.00  0.00\\nATOM    135  CD2 LEU A   8      27.918  39.901  21.706  0.00  0.00\\nATOM    136  H   LEU A   8      30.862  39.480  19.017  0.00  0.00\\nATOM    137  HA  LEU A   8      28.528  41.234  19.328  0.00  0.00\\nATOM    138  HB2 LEU A   8      31.115  40.880  20.964  0.00  0.00\\nATOM    139  HB3 LEU A   8      29.745  41.859  21.499  0.00  0.00\\nATOM    140  HG  LEU A   8      29.677  38.851  21.066  0.00  0.00\\nATOM    141 HD11 LEU A   8      29.610  38.743  23.517  0.00  0.00\\nATOM    142 HD12 LEU A   8      31.117  39.488  22.933  0.00  0.00\\nATOM    143 HD13 LEU A   8      29.820  40.508  23.601  0.00  0.00\\nATOM    144 HD21 LEU A   8      27.490  39.030  22.204  0.00  0.00\\nATOM    145 HD22 LEU A   8      27.669  40.800  22.270  0.00  0.00\\nATOM    146 HD23 LEU A   8      27.508  39.980  20.698  0.00  0.00\\nATOM    147  N   THR A   9      30.991  42.571  17.998  0.00  0.00\\nATOM    148  CA  THR A   9      31.422  43.940  17.553  0.00  0.00\\nATOM    149  C   THR A   9      30.755  44.351  16.277  0.00  0.00\\nATOM    150  O   THR A   9      31.207  45.268  15.566  0.00  0.00\\nATOM    151  CB  THR A   9      32.951  43.999  17.380  0.00  0.00\\nATOM    152  OG1 THR A   9      33.362  43.029  16.408  0.00  0.00\\nATOM    153  CG2 THR A   9      33.649  43.715  18.701  0.00  0.00\\nATOM    154  H   THR A   9      31.394  41.759  17.552  0.00  0.00\\nATOM    155  HA  THR A   9      31.106  44.664  18.305  0.00  0.00\\nATOM    156  HB  THR A   9      33.239  44.989  17.029  0.00  0.00\\nATOM    157  HG1 THR A   9      33.207  43.375  15.525  0.00  0.00\\nATOM    158 HG21 THR A   9      34.729  43.761  18.559  0.00  0.00\\nATOM    159 HG22 THR A   9      33.347  44.458  19.439  0.00  0.00\\nATOM    160 HG23 THR A   9      33.372  42.721  19.052  0.00  0.00\\nATOM    161  N   GLY A  10      29.721  43.673  15.885  0.00  0.00\\nATOM    162  CA  GLY A  10      28.978  43.960  14.678  0.00  0.00\\nATOM    163  C   GLY A  10      29.604  43.507  13.393  0.00  0.00\\nATOM    164  H   GLY A  10      29.431  42.902  16.470  0.00  0.00\\nATOM    165  HA2 GLY A  10      27.994  43.494  14.737  0.00  0.00\\nATOM    166  HA3 GLY A  10      28.823  45.038  14.651  0.00  0.00\\nATOM    167  O   GLY A  10      29.219  43.981  12.301  0.00  0.00\\nATOM    168  OXT GLY A  10      30.479  42.686  13.409  0.00  0.00\\nTER\\nENDMDL\\n\",\"pdb\");\n",
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       "         style=\"position:absolute;inset:0;visibility:hidden\">\n",
       "  <div class=\"tmol-viewer-note\">VAL-THR; max frozen coordinate change 0.000 Å</div>\n",
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       "\tviewer_17885205959014528.addModel(\"MODEL 1\\nATOM      1  N   MET A   1      27.340  24.430   2.614  0.00  0.00\\nATOM      2  CA  MET A   1      26.266  25.413   2.842  0.00  0.00\\nATOM      3  C   MET A   1      26.913  26.639   3.531  0.00  0.00\\nATOM      4  O   MET A   1      27.886  26.463   4.263  0.00  0.00\\nATOM      5  CB  MET A   1      25.112  24.880   3.649  0.00  0.00\\nATOM      6  CG  MET A   1      25.353  24.860   5.134  0.00  0.00\\nATOM      7  SD  MET A   1      23.930  23.959   5.904  0.00  0.00\\nATOM      8  CE  MET A   1      24.447  23.984   7.620  0.00  0.00\\nATOM      9  HA  MET A   1      25.864  25.717   1.875  0.00  0.00\\nATOM     10  HB2 MET A   1      24.227  25.486   3.461  0.00  0.00\\nATOM     11  HB3 MET A   1      24.886  23.861   3.332  0.00  0.00\\nATOM     12  HG2 MET A   1      26.298  24.359   5.342  0.00  0.00\\nATOM     13  HG3 MET A   1      25.421  25.882   5.505  0.00  0.00\\nATOM     14  HE1 MET A   1      23.700  23.479   8.233  0.00  0.00\\nATOM     15  HE2 MET A   1      25.405  23.472   7.719  0.00  0.00\\nATOM     16  HE3 MET A   1      24.552  25.017   7.954  0.00  0.00\\nATOM     17  H1  MET A   1      26.961  23.619   2.168  0.00  0.00\\nATOM     18  H2  MET A   1      28.043  24.834   2.029  0.00  0.00\\nATOM     19  H3  MET A   1      27.746  24.169   3.490  0.00  0.00\\nATOM     20  N   GLN A   2      26.335  27.770   3.258  0.00  0.00\\nATOM     21  CA  GLN A   2      26.850  29.021   3.898  0.00  0.00\\nATOM     22  C   GLN A   2      26.100  29.253   5.202  0.00  0.00\\nATOM     23  O   GLN A   2      24.865  29.024   5.330  0.00  0.00\\nATOM     24  CB  GLN A   2      26.688  30.235   2.979  0.00  0.00\\nATOM     25  CG  GLN A   2      27.271  31.521   3.539  0.00  0.00\\nATOM     26  CD  GLN A   2      27.146  32.683   2.571  0.00  0.00\\nATOM     27  OE1 GLN A   2      26.486  32.576   1.534  0.00  0.00\\nATOM     28  NE2 GLN A   2      27.782  33.800   2.904  0.00  0.00\\nATOM     29  H   GLN A   2      25.549  27.828   2.627  0.00  0.00\\nATOM     30  HA  GLN A   2      27.898  28.870   4.158  0.00  0.00\\nATOM     31  HB2 GLN A   2      27.173  30.035   2.023  0.00  0.00\\nATOM     32  HB3 GLN A   2      25.630  30.403   2.781  0.00  0.00\\nATOM     33  HG2 GLN A   2      26.738  31.781   4.454  0.00  0.00\\nATOM     34  HG3 GLN A   2      28.328  31.367   3.753  0.00  0.00\\nATOM     35 HE21 GLN A   2      28.306  33.843   3.755  0.00  0.00\\nATOM     36 HE22 GLN A   2      27.736  34.600   2.304  0.00  0.00\\nATOM     37  N   ILE A   3      26.849  29.656   6.217  0.00  0.00\\nATOM     38  CA  ILE A   3      26.235  30.058   7.497  0.00  0.00\\nATOM     39  C   ILE A   3      26.882  31.428   7.862  0.00  0.00\\nATOM     40  O   ILE A   3      27.906  31.711   7.264  0.00  0.00\\nATOM     41  CB  ILE A   3      26.473  29.056   8.641  0.00  0.00\\nATOM     42  CG1 ILE A   3      27.969  28.942   8.949  0.00  0.00\\nATOM     43  CG2 ILE A   3      25.895  27.695   8.286  0.00  0.00\\nATOM     44  CD1 ILE A   3      28.278  28.129  10.185  0.00  0.00\\nATOM     45  H   ILE A   3      27.854  29.691   6.121  0.00  0.00\\nATOM     46  HA  ILE A   3      25.168  30.210   7.336  0.00  0.00\\nATOM     47  HB  ILE A   3      25.992  29.419   9.549  0.00  0.00\\nATOM     48 HG12 ILE A   3      28.480  28.485   8.102  0.00  0.00\\nATOM     49 HG13 ILE A   3      28.389  29.939   9.084  0.00  0.00\\nATOM     50 HG21 ILE A   3      26.073  26.999   9.105  0.00  0.00\\nATOM     51 HG22 ILE A   3      24.823  27.789   8.115  0.00  0.00\\nATOM     52 HG23 ILE A   3      26.375  27.321   7.381  0.00  0.00\\nATOM     53 HD11 ILE A   3      29.357  28.094  10.337  0.00  0.00\\nATOM     54 HD12 ILE A   3      27.804  28.590  11.052  0.00  0.00\\nATOM     55 HD13 ILE A   3      27.898  27.116  10.058  0.00  0.00\\nATOM     56  N   PHE A   4      26.214  32.097   8.771  0.00  0.00\\nATOM     57  CA  PHE A   4      26.772  33.436   9.197  0.00  0.00\\nATOM     58  C   PHE A   4      27.151  33.362  10.650  0.00  0.00\\nATOM     59  O   PHE A   4      26.350  32.778  11.395  0.00  0.00\\nATOM     60  CB  PHE A   4      25.760  34.564   8.985  0.00  0.00\\nATOM     61  CG  PHE A   4      25.431  34.820   7.542  0.00  0.00\\nATOM     62  CD1 PHE A   4      24.348  34.195   6.942  0.00  0.00\\nATOM     63  CD2 PHE A   4      26.203  35.684   6.782  0.00  0.00\\nATOM     64  CE1 PHE A   4      24.043  34.429   5.615  0.00  0.00\\nATOM     65  CE2 PHE A   4      25.901  35.921   5.455  0.00  0.00\\nATOM     66  CZ  PHE A   4      24.820  35.292   4.871  0.00  0.00\\nATOM     67  H   PHE A   4      25.358  31.764   9.192  0.00  0.00\\nATOM     68  HA  PHE A   4      27.654  33.652   8.592  0.00  0.00\\nATOM     69  HB2 PHE A   4      24.835  34.326   9.509  0.00  0.00\\nATOM     70  HB3 PHE A   4      26.150  35.487   9.414  0.00  0.00\\nATOM     71  HD1 PHE A   4      23.733  33.513   7.531  0.00  0.00\\nATOM     72  HD2 PHE A   4      27.058  36.181   7.243  0.00  0.00\\nATOM     73  HE1 PHE A   4      23.189  33.931   5.156  0.00  0.00\\nATOM     74  HE2 PHE A   4      26.516  36.604   4.868  0.00  0.00\\nATOM     75  HZ  PHE A   4      24.581  35.477   3.824  0.00  0.00\\nATOM     76  N   VAL A   5      28.260  33.943  11.096  0.00  0.00\\nATOM     77  CA  VAL A   5      28.605  33.965  12.503  0.00  0.00\\nATOM     78  C   VAL A   5      28.638  35.461  12.900  0.00  0.00\\nATOM     79  O   VAL A   5      29.522  36.103  12.320  0.00  0.00\\nATOM     80  CB  VAL A   5      29.975  33.328  12.801  0.00  0.00\\nATOM     81  CG1 VAL A   5      30.284  33.399  14.289  0.00  0.00\\nATOM     82  CG2 VAL A   5      29.992  31.886  12.315  0.00  0.00\\nATOM     83  H   VAL A   5      28.880  34.382  10.431  0.00  0.00\\nATOM     84  HA  VAL A   5      27.849  33.405  13.054  0.00  0.00\\nATOM     85  HB  VAL A   5      30.749  33.895  12.284  0.00  0.00\\nATOM     86 HG11 VAL A   5      31.256  32.945  14.481  0.00  0.00\\nATOM     87 HG12 VAL A   5      30.303  34.442  14.606  0.00  0.00\\nATOM     88 HG13 VAL A   5      29.517  32.863  14.846  0.00  0.00\\nATOM     89 HG21 VAL A   5      30.964  31.442  12.528  0.00  0.00\\nATOM     90 HG22 VAL A   5      29.214  31.320  12.828  0.00  0.00\\nATOM     91 HG23 VAL A   5      29.810  31.862  11.241  0.00  0.00\\nATOM     92  N   LYS A   6      27.751  35.867  13.740  0.00  0.00\\nATOM     93  CA  LYS A   6      27.691  37.315  14.143  0.00  0.00\\nATOM     94  C   LYS A   6      28.469  37.475  15.420  0.00  0.00\\nATOM     95  O   LYS A   6      28.213  36.753  16.411  0.00  0.00\\nATOM     96  CB  LYS A   6      26.254  37.801  14.338  0.00  0.00\\nATOM     97  CG  LYS A   6      26.131  39.283  14.667  0.00  0.00\\nATOM     98  CD  LYS A   6      24.673  39.701  14.795  0.00  0.00\\nATOM     99  CE  LYS A   6      24.549  41.178  15.138  0.00  0.00\\nATOM    100  NZ  LYS A   6      23.128  41.602  15.266  0.00  0.00\\nATOM    101  H   LYS A   6      27.087  35.218  14.137  0.00  0.00\\nATOM    102  HA  LYS A   6      28.141  37.914  13.350  0.00  0.00\\nATOM    103  HB2 LYS A   6      25.679  37.611  13.432  0.00  0.00\\nATOM    104  HB3 LYS A   6      25.786  37.239  15.147  0.00  0.00\\nATOM    105  HG2 LYS A   6      26.643  39.491  15.607  0.00  0.00\\nATOM    106  HG3 LYS A   6      26.601  39.871  13.880  0.00  0.00\\nATOM    107  HD2 LYS A   6      24.156  39.511  13.853  0.00  0.00\\nATOM    108  HD3 LYS A   6      24.194  39.115  15.578  0.00  0.00\\nATOM    109  HE2 LYS A   6      25.060  41.377  16.079  0.00  0.00\\nATOM    110  HE3 LYS A   6      25.023  41.775  14.359  0.00  0.00\\nATOM    111  HZ1 LYS A   6      23.088  42.586  15.493  0.00  0.00\\nATOM    112  HZ2 LYS A   6      22.648  41.439  14.392  0.00  0.00\\nATOM    113  HZ3 LYS A   6      22.682  41.070  15.999  0.00  0.00\\nATOM    114  N   THR A   7      29.426  38.430  15.446  0.00  0.00\\nATOM    115  CA  THR A   7      30.225  38.643  16.662  0.00  0.00\\nATOM    116  C   THR A   7      29.664  39.839  17.434  0.00  0.00\\nATOM    117  O   THR A   7      28.850  40.565  16.859  0.00  0.00\\nATOM    118  CB  THR A   7      31.712  38.885  16.343  0.00  0.00\\nATOM    119  OG1 THR A   7      31.852  40.101  15.597  0.00  0.00\\nATOM    120  CG2 THR A   7      32.278  37.729  15.532  0.00  0.00\\nATOM    121  H   THR A   7      29.602  39.005  14.635  0.00  0.00\\nATOM    122  HA  THR A   7      30.152  37.751  17.284  0.00  0.00\\nATOM    123  HB  THR A   7      32.273  38.978  17.272  0.00  0.00\\nATOM    124  HG1 THR A   7      32.780  40.250  15.399  0.00  0.00\\nATOM    125 HG21 THR A   7      33.330  37.917  15.316  0.00  0.00\\nATOM    126 HG22 THR A   7      32.184  36.805  16.101  0.00  0.00\\nATOM    127 HG23 THR A   7      31.727  37.637  14.597  0.00  0.00\\nATOM    128  N   LEU A   8      30.132  40.069  18.642  0.00  0.00\\nATOM    129  CA  LEU A   8      29.607  41.180  19.467  0.00  0.00\\nATOM    130  C   LEU A   8      30.075  42.538  18.984  0.00  0.00\\nATOM    131  O   LEU A   8      29.586  43.570  19.483  0.00  0.00\\nATOM    132  CB  LEU A   8      30.031  40.976  20.927  0.00  0.00\\nATOM    133  CG  LEU A   8      29.430  39.751  21.629  0.00  0.00\\nATOM    134  CD1 LEU A   8      30.037  39.613  23.018  0.00  0.00\\nATOM    135  CD2 LEU A   8      27.918  39.901  21.706  0.00  0.00\\nATOM    136  H   LEU A   8      30.862  39.480  19.017  0.00  0.00\\nATOM    137  HA  LEU A   8      28.528  41.234  19.328  0.00  0.00\\nATOM    138  HB2 LEU A   8      31.115  40.880  20.964  0.00  0.00\\nATOM    139  HB3 LEU A   8      29.745  41.859  21.499  0.00  0.00\\nATOM    140  HG  LEU A   8      29.677  38.851  21.066  0.00  0.00\\nATOM    141 HD11 LEU A   8      29.610  38.743  23.517  0.00  0.00\\nATOM    142 HD12 LEU A   8      31.117  39.488  22.933  0.00  0.00\\nATOM    143 HD13 LEU A   8      29.820  40.508  23.601  0.00  0.00\\nATOM    144 HD21 LEU A   8      27.490  39.030  22.204  0.00  0.00\\nATOM    145 HD22 LEU A   8      27.669  40.800  22.270  0.00  0.00\\nATOM    146 HD23 LEU A   8      27.508  39.980  20.698  0.00  0.00\\nATOM    147  N   THR A   9      30.991  42.571  17.998  0.00  0.00\\nATOM    148  CA  THR A   9      31.422  43.940  17.553  0.00  0.00\\nATOM    149  C   THR A   9      30.755  44.351  16.277  0.00  0.00\\nATOM    150  O   THR A   9      31.207  45.268  15.566  0.00  0.00\\nATOM    151  CB  THR A   9      32.951  43.999  17.380  0.00  0.00\\nATOM    152  OG1 THR A   9      33.362  43.029  16.408  0.00  0.00\\nATOM    153  CG2 THR A   9      33.649  43.715  18.701  0.00  0.00\\nATOM    154  H   THR A   9      31.394  41.759  17.552  0.00  0.00\\nATOM    155  HA  THR A   9      31.106  44.664  18.305  0.00  0.00\\nATOM    156  HB  THR A   9      33.239  44.989  17.029  0.00  0.00\\nATOM    157  HG1 THR A   9      33.207  43.375  15.525  0.00  0.00\\nATOM    158 HG21 THR A   9      34.729  43.761  18.559  0.00  0.00\\nATOM    159 HG22 THR A   9      33.347  44.458  19.439  0.00  0.00\\nATOM    160 HG23 THR A   9      33.372  42.721  19.052  0.00  0.00\\nATOM    161  N   GLY A  10      29.721  43.673  15.885  0.00  0.00\\nATOM    162  CA  GLY A  10      28.978  43.960  14.678  0.00  0.00\\nATOM    163  C   GLY A  10      29.604  43.507  13.393  0.00  0.00\\nATOM    164  H   GLY A  10      29.431  42.902  16.470  0.00  0.00\\nATOM    165  HA2 GLY A  10      27.994  43.494  14.737  0.00  0.00\\nATOM    166  HA3 GLY A  10      28.823  45.038  14.651  0.00  0.00\\nATOM    167  O   GLY A  10      29.219  43.981  12.301  0.00  0.00\\nATOM    168  OXT GLY A  10      30.479  42.686  13.409  0.00  0.00\\nTER\\nENDMDL\\n\",\"pdb\");\n",
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       "  <div class=\"tmol-viewer-note\">VAL-THR; max frozen coordinate change 0.000 Å</div>\n",
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       "\tviewer_17885205959110627.addModel(\"MODEL 1\\nATOM      1  N   MET A   1      27.340  24.430   2.614  0.00  0.00\\nATOM      2  CA  MET A   1      26.266  25.413   2.842  0.00  0.00\\nATOM      3  C   MET A   1      26.913  26.639   3.531  0.00  0.00\\nATOM      4  O   MET A   1      27.886  26.463   4.263  0.00  0.00\\nATOM      5  CB  MET A   1      25.112  24.880   3.649  0.00  0.00\\nATOM      6  CG  MET A   1      25.353  24.860   5.134  0.00  0.00\\nATOM      7  SD  MET A   1      23.930  23.959   5.904  0.00  0.00\\nATOM      8  CE  MET A   1      24.447  23.984   7.620  0.00  0.00\\nATOM      9  HA  MET A   1      25.864  25.717   1.875  0.00  0.00\\nATOM     10  HB2 MET A   1      24.227  25.486   3.461  0.00  0.00\\nATOM     11  HB3 MET A   1      24.886  23.861   3.332  0.00  0.00\\nATOM     12  HG2 MET A   1      26.298  24.359   5.342  0.00  0.00\\nATOM     13  HG3 MET A   1      25.421  25.882   5.505  0.00  0.00\\nATOM     14  HE1 MET A   1      23.700  23.479   8.233  0.00  0.00\\nATOM     15  HE2 MET A   1      25.405  23.472   7.719  0.00  0.00\\nATOM     16  HE3 MET A   1      24.552  25.017   7.954  0.00  0.00\\nATOM     17  H1  MET A   1      26.961  23.619   2.168  0.00  0.00\\nATOM     18  H2  MET A   1      28.043  24.834   2.029  0.00  0.00\\nATOM     19  H3  MET A   1      27.746  24.169   3.490  0.00  0.00\\nATOM     20  N   GLN A   2      26.335  27.770   3.258  0.00  0.00\\nATOM     21  CA  GLN A   2      26.850  29.021   3.898  0.00  0.00\\nATOM     22  C   GLN A   2      26.100  29.253   5.202  0.00  0.00\\nATOM     23  O   GLN A   2      24.865  29.024   5.330  0.00  0.00\\nATOM     24  CB  GLN A   2      26.688  30.235   2.979  0.00  0.00\\nATOM     25  CG  GLN A   2      27.271  31.521   3.539  0.00  0.00\\nATOM     26  CD  GLN A   2      27.146  32.683   2.571  0.00  0.00\\nATOM     27  OE1 GLN A   2      26.486  32.576   1.534  0.00  0.00\\nATOM     28  NE2 GLN A   2      27.782  33.800   2.904  0.00  0.00\\nATOM     29  H   GLN A   2      25.549  27.828   2.627  0.00  0.00\\nATOM     30  HA  GLN A   2      27.898  28.870   4.158  0.00  0.00\\nATOM     31  HB2 GLN A   2      27.173  30.035   2.023  0.00  0.00\\nATOM     32  HB3 GLN A   2      25.630  30.403   2.781  0.00  0.00\\nATOM     33  HG2 GLN A   2      26.738  31.781   4.454  0.00  0.00\\nATOM     34  HG3 GLN A   2      28.328  31.367   3.753  0.00  0.00\\nATOM     35 HE21 GLN A   2      28.306  33.843   3.755  0.00  0.00\\nATOM     36 HE22 GLN A   2      27.736  34.600   2.304  0.00  0.00\\nATOM     37  N   ILE A   3      26.849  29.656   6.217  0.00  0.00\\nATOM     38  CA  ILE A   3      26.235  30.058   7.497  0.00  0.00\\nATOM     39  C   ILE A   3      26.882  31.428   7.862  0.00  0.00\\nATOM     40  O   ILE A   3      27.906  31.711   7.264  0.00  0.00\\nATOM     41  CB  ILE A   3      26.473  29.056   8.641  0.00  0.00\\nATOM     42  CG1 ILE A   3      27.969  28.942   8.949  0.00  0.00\\nATOM     43  CG2 ILE A   3      25.895  27.695   8.286  0.00  0.00\\nATOM     44  CD1 ILE A   3      28.278  28.129  10.185  0.00  0.00\\nATOM     45  H   ILE A   3      27.854  29.691   6.121  0.00  0.00\\nATOM     46  HA  ILE A   3      25.168  30.210   7.336  0.00  0.00\\nATOM     47  HB  ILE A   3      25.992  29.419   9.549  0.00  0.00\\nATOM     48 HG12 ILE A   3      28.480  28.485   8.102  0.00  0.00\\nATOM     49 HG13 ILE A   3      28.389  29.939   9.084  0.00  0.00\\nATOM     50 HG21 ILE A   3      26.073  26.999   9.105  0.00  0.00\\nATOM     51 HG22 ILE A   3      24.823  27.789   8.115  0.00  0.00\\nATOM     52 HG23 ILE A   3      26.375  27.321   7.381  0.00  0.00\\nATOM     53 HD11 ILE A   3      29.357  28.094  10.337  0.00  0.00\\nATOM     54 HD12 ILE A   3      27.804  28.590  11.052  0.00  0.00\\nATOM     55 HD13 ILE A   3      27.898  27.116  10.058  0.00  0.00\\nATOM     56  N   PHE A   4      26.214  32.097   8.771  0.00  0.00\\nATOM     57  CA  PHE A   4      26.772  33.436   9.197  0.00  0.00\\nATOM     58  C   PHE A   4      27.151  33.362  10.650  0.00  0.00\\nATOM     59  O   PHE A   4      26.350  32.778  11.395  0.00  0.00\\nATOM     60  CB  PHE A   4      25.760  34.564   8.985  0.00  0.00\\nATOM     61  CG  PHE A   4      25.431  34.820   7.542  0.00  0.00\\nATOM     62  CD1 PHE A   4      24.348  34.195   6.942  0.00  0.00\\nATOM     63  CD2 PHE A   4      26.203  35.684   6.782  0.00  0.00\\nATOM     64  CE1 PHE A   4      24.043  34.429   5.615  0.00  0.00\\nATOM     65  CE2 PHE A   4      25.901  35.921   5.455  0.00  0.00\\nATOM     66  CZ  PHE A   4      24.820  35.292   4.871  0.00  0.00\\nATOM     67  H   PHE A   4      25.358  31.764   9.192  0.00  0.00\\nATOM     68  HA  PHE A   4      27.654  33.652   8.592  0.00  0.00\\nATOM     69  HB2 PHE A   4      24.835  34.326   9.509  0.00  0.00\\nATOM     70  HB3 PHE A   4      26.150  35.487   9.414  0.00  0.00\\nATOM     71  HD1 PHE A   4      23.733  33.513   7.531  0.00  0.00\\nATOM     72  HD2 PHE A   4      27.058  36.181   7.243  0.00  0.00\\nATOM     73  HE1 PHE A   4      23.189  33.931   5.156  0.00  0.00\\nATOM     74  HE2 PHE A   4      26.516  36.604   4.868  0.00  0.00\\nATOM     75  HZ  PHE A   4      24.581  35.477   3.824  0.00  0.00\\nATOM     76  N   VAL A   5      28.260  33.943  11.096  0.00  0.00\\nATOM     77  CA  VAL A   5      28.605  33.965  12.503  0.00  0.00\\nATOM     78  C   VAL A   5      28.638  35.461  12.900  0.00  0.00\\nATOM     79  O   VAL A   5      29.522  36.103  12.320  0.00  0.00\\nATOM     80  CB  VAL A   5      29.975  33.328  12.801  0.00  0.00\\nATOM     81  CG1 VAL A   5      30.284  33.399  14.289  0.00  0.00\\nATOM     82  CG2 VAL A   5      29.992  31.886  12.315  0.00  0.00\\nATOM     83  H   VAL A   5      28.880  34.382  10.431  0.00  0.00\\nATOM     84  HA  VAL A   5      27.849  33.405  13.054  0.00  0.00\\nATOM     85  HB  VAL A   5      30.749  33.895  12.284  0.00  0.00\\nATOM     86 HG11 VAL A   5      31.256  32.945  14.481  0.00  0.00\\nATOM     87 HG12 VAL A   5      30.303  34.442  14.606  0.00  0.00\\nATOM     88 HG13 VAL A   5      29.517  32.863  14.846  0.00  0.00\\nATOM     89 HG21 VAL A   5      30.964  31.442  12.528  0.00  0.00\\nATOM     90 HG22 VAL A   5      29.214  31.320  12.828  0.00  0.00\\nATOM     91 HG23 VAL A   5      29.810  31.862  11.241  0.00  0.00\\nATOM     92  N   LYS A   6      27.751  35.867  13.740  0.00  0.00\\nATOM     93  CA  LYS A   6      27.691  37.315  14.143  0.00  0.00\\nATOM     94  C   LYS A   6      28.469  37.475  15.420  0.00  0.00\\nATOM     95  O   LYS A   6      28.213  36.753  16.411  0.00  0.00\\nATOM     96  CB  LYS A   6      26.254  37.801  14.338  0.00  0.00\\nATOM     97  CG  LYS A   6      26.131  39.283  14.667  0.00  0.00\\nATOM     98  CD  LYS A   6      24.673  39.701  14.795  0.00  0.00\\nATOM     99  CE  LYS A   6      24.549  41.178  15.138  0.00  0.00\\nATOM    100  NZ  LYS A   6      23.128  41.602  15.266  0.00  0.00\\nATOM    101  H   LYS A   6      27.087  35.218  14.137  0.00  0.00\\nATOM    102  HA  LYS A   6      28.141  37.914  13.350  0.00  0.00\\nATOM    103  HB2 LYS A   6      25.679  37.611  13.432  0.00  0.00\\nATOM    104  HB3 LYS A   6      25.786  37.239  15.147  0.00  0.00\\nATOM    105  HG2 LYS A   6      26.643  39.491  15.607  0.00  0.00\\nATOM    106  HG3 LYS A   6      26.601  39.871  13.880  0.00  0.00\\nATOM    107  HD2 LYS A   6      24.156  39.511  13.853  0.00  0.00\\nATOM    108  HD3 LYS A   6      24.194  39.115  15.578  0.00  0.00\\nATOM    109  HE2 LYS A   6      25.060  41.377  16.079  0.00  0.00\\nATOM    110  HE3 LYS A   6      25.023  41.775  14.359  0.00  0.00\\nATOM    111  HZ1 LYS A   6      23.088  42.586  15.493  0.00  0.00\\nATOM    112  HZ2 LYS A   6      22.648  41.439  14.392  0.00  0.00\\nATOM    113  HZ3 LYS A   6      22.682  41.070  15.999  0.00  0.00\\nATOM    114  N   THR A   7      29.426  38.430  15.446  0.00  0.00\\nATOM    115  CA  THR A   7      30.225  38.643  16.662  0.00  0.00\\nATOM    116  C   THR A   7      29.664  39.839  17.434  0.00  0.00\\nATOM    117  O   THR A   7      28.850  40.565  16.859  0.00  0.00\\nATOM    118  CB  THR A   7      31.712  38.885  16.343  0.00  0.00\\nATOM    119  OG1 THR A   7      31.852  40.101  15.597  0.00  0.00\\nATOM    120  CG2 THR A   7      32.278  37.729  15.532  0.00  0.00\\nATOM    121  H   THR A   7      29.602  39.005  14.635  0.00  0.00\\nATOM    122  HA  THR A   7      30.152  37.751  17.284  0.00  0.00\\nATOM    123  HB  THR A   7      32.273  38.978  17.272  0.00  0.00\\nATOM    124  HG1 THR A   7      32.780  40.250  15.399  0.00  0.00\\nATOM    125 HG21 THR A   7      33.330  37.917  15.316  0.00  0.00\\nATOM    126 HG22 THR A   7      32.184  36.805  16.101  0.00  0.00\\nATOM    127 HG23 THR A   7      31.727  37.637  14.597  0.00  0.00\\nATOM    128  N   LEU A   8      30.132  40.069  18.642  0.00  0.00\\nATOM    129  CA  LEU A   8      29.607  41.180  19.467  0.00  0.00\\nATOM    130  C   LEU A   8      30.075  42.538  18.984  0.00  0.00\\nATOM    131  O   LEU A   8      29.586  43.570  19.483  0.00  0.00\\nATOM    132  CB  LEU A   8      30.031  40.976  20.927  0.00  0.00\\nATOM    133  CG  LEU A   8      29.430  39.751  21.629  0.00  0.00\\nATOM    134  CD1 LEU A   8      30.037  39.613  23.018  0.00  0.00\\nATOM    135  CD2 LEU A   8      27.918  39.901  21.706  0.00  0.00\\nATOM    136  H   LEU A   8      30.862  39.480  19.017  0.00  0.00\\nATOM    137  HA  LEU A   8      28.528  41.234  19.328  0.00  0.00\\nATOM    138  HB2 LEU A   8      31.115  40.880  20.964  0.00  0.00\\nATOM    139  HB3 LEU A   8      29.745  41.859  21.499  0.00  0.00\\nATOM    140  HG  LEU A   8      29.677  38.851  21.066  0.00  0.00\\nATOM    141 HD11 LEU A   8      29.610  38.743  23.517  0.00  0.00\\nATOM    142 HD12 LEU A   8      31.117  39.488  22.933  0.00  0.00\\nATOM    143 HD13 LEU A   8      29.820  40.508  23.601  0.00  0.00\\nATOM    144 HD21 LEU A   8      27.490  39.030  22.204  0.00  0.00\\nATOM    145 HD22 LEU A   8      27.669  40.800  22.270  0.00  0.00\\nATOM    146 HD23 LEU A   8      27.508  39.980  20.698  0.00  0.00\\nATOM    147  N   THR A   9      30.991  42.571  17.998  0.00  0.00\\nATOM    148  CA  THR A   9      31.422  43.940  17.553  0.00  0.00\\nATOM    149  C   THR A   9      30.755  44.351  16.277  0.00  0.00\\nATOM    150  O   THR A   9      31.207  45.268  15.566  0.00  0.00\\nATOM    151  CB  THR A   9      32.951  43.999  17.380  0.00  0.00\\nATOM    152  OG1 THR A   9      33.362  43.029  16.408  0.00  0.00\\nATOM    153  CG2 THR A   9      33.649  43.715  18.701  0.00  0.00\\nATOM    154  H   THR A   9      31.394  41.759  17.552  0.00  0.00\\nATOM    155  HA  THR A   9      31.106  44.664  18.305  0.00  0.00\\nATOM    156  HB  THR A   9      33.239  44.989  17.029  0.00  0.00\\nATOM    157  HG1 THR A   9      33.207  43.375  15.525  0.00  0.00\\nATOM    158 HG21 THR A   9      34.729  43.761  18.559  0.00  0.00\\nATOM    159 HG22 THR A   9      33.347  44.458  19.439  0.00  0.00\\nATOM    160 HG23 THR A   9      33.372  42.721  19.052  0.00  0.00\\nATOM    161  N   GLY A  10      29.721  43.673  15.885  0.00  0.00\\nATOM    162  CA  GLY A  10      28.978  43.960  14.678  0.00  0.00\\nATOM    163  C   GLY A  10      29.604  43.507  13.393  0.00  0.00\\nATOM    164  H   GLY A  10      29.431  42.902  16.470  0.00  0.00\\nATOM    165  HA2 GLY A  10      27.994  43.494  14.737  0.00  0.00\\nATOM    166  HA3 GLY A  10      28.823  45.038  14.651  0.00  0.00\\nATOM    167  O   GLY A  10      29.219  43.981  12.301  0.00  0.00\\nATOM    168  OXT GLY A  10      30.479  42.686  13.409  0.00  0.00\\nTER\\nENDMDL\\n\",\"pdb\");\n",
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   "source": [
    "def restrict_regional_design(task, allowed_name3_by_block):\n",
    "    \"\"\"Keep the original identity elsewhere and allow a small design alphabet.\"\"\"\n",
    "    considered = task.per_block_considered_block_types\n",
    "    keep = task.per_block_considered_block_types_is_orig.detach().clone()\n",
    "    for pose_index in range(keep.shape[0]):\n",
    "        for block_index, allowed_names in allowed_name3_by_block.items():\n",
    "            considered_types = (\n",
    "                considered[pose_index, block_index].detach().cpu().tolist()\n",
    "            )\n",
    "            allowed = torch.tensor(\n",
    "                [\n",
    "                    index >= 0\n",
    "                    and task.pbt.active_block_types[index].name3 in allowed_names\n",
    "                    for index in considered_types\n",
    "                ],\n",
    "                dtype=torch.bool,\n",
    "                device=task.device,\n",
    "            )\n",
    "            if not torch.any(allowed):\n",
    "                raise ValueError(f\"No requested identities at block {block_index}\")\n",
    "            keep[pose_index, block_index] = allowed\n",
    "    task.per_block_is_block_type_allowed = torch.logical_and(\n",
    "        task.per_block_is_block_type_allowed, keep\n",
    "    )\n",
    "    return task\n",
    "\n",
    "\n",
    "design_blocks = [4, 6]\n",
    "design_alphabet = {\n",
    "    block_index: {\n",
    "        pose_stack.block_type(0, block_index).name3,\n",
    "        \"ALA\",\n",
    "        \"LEU\",\n",
    "        \"PHE\",\n",
    "    }\n",
    "    for block_index in design_blocks\n",
    "}\n",
    "\n",
    "# The union of adjacency neighborhoods defines which blocks may pack.\n",
    "design_block_mask = torch.zeros(\n",
    "    (pose_stack.n_poses, pose_stack.max_n_blocks),\n",
    "    dtype=torch.bool,\n",
    "    device=device,\n",
    ")\n",
    "design_block_mask[:, design_blocks] = True\n",
    "design_shell = torch.any(block_adjacency[:, design_blocks, :], dim=1)\n",
    "design_shell |= design_block_mask\n",
    "design_repack_only = design_shell & ~design_block_mask\n",
    "design_frozen = ~design_shell\n",
    "\n",
    "def design_pdb_label(block_index):\n",
    "    return (\n",
    "        f\"{pose_stack.pdb_info.chain_labels[0, block_index]}:\"\n",
    "        f\"{pose_stack.pdb_info.residue_labels[0, block_index]}\"\n",
    "        f\"{pose_stack.pdb_info.residue_insertion_codes[0, block_index]}\"\n",
    "    )\n",
    "\n",
    "\n",
    "design_role_rows = []\n",
    "for block_index in range(pose_stack.max_n_blocks):\n",
    "    if bool(design_block_mask[0, block_index]):\n",
    "        role = \"design\"\n",
    "    elif bool(design_repack_only[0, block_index]):\n",
    "        role = \"repack-only\"\n",
    "    else:\n",
    "        role = \"frozen\"\n",
    "    design_role_rows.append(\n",
    "        {\n",
    "            \"block_index\": block_index,\n",
    "            \"pdb_label\": design_pdb_label(block_index),\n",
    "            \"starting_identity\": pose_stack.block_type(0, block_index).name3,\n",
    "            \"role\": role,\n",
    "        }\n",
    "    )\n",
    "design_role_frame = pd.DataFrame(design_role_rows)\n",
    "show_table(design_role_frame)\n",
    "\n",
    "n_design_batch_members = 3\n",
    "design_batch = PoseStackBuilder.from_poses(\n",
    "    [pose_stack] * n_design_batch_members, device\n",
    ")\n",
    "design_task = PackerTask(design_batch, PackerPalette())\n",
    "restrict_regional_design(design_task, design_alphabet)\n",
    "design_shell_batch = design_shell.expand(n_design_batch_members, -1).clone()\n",
    "design_task.disable_packing_by_block_mask(~design_shell_batch)\n",
    "add_standard_samplers(design_task)\n",
    "\n",
    "torch.manual_seed(SEED)\n",
    "if device.type == \"cuda\":\n",
    "    torch.cuda.synchronize()\n",
    "design_start = perf_counter()\n",
    "designed_batch = pack_rotamers(design_batch, score_function, design_task)\n",
    "if device.type == \"cuda\":\n",
    "    torch.cuda.synchronize()\n",
    "design_seconds = perf_counter() - design_start\n",
    "\n",
    "design_rows = []\n",
    "design_poses = {}\n",
    "frozen_block_indices = torch.nonzero(\n",
    "    design_frozen[0], as_tuple=False\n",
    ").flatten().tolist()\n",
    "for pose_index in range(n_design_batch_members):\n",
    "    designed_pose = designed_batch.split(pose_index)\n",
    "    label = f\"batch member {pose_index + 1}\"\n",
    "    identities = [\n",
    "        designed_pose.block_type(0, block_index).name3\n",
    "        for block_index in design_blocks\n",
    "    ]\n",
    "\n",
    "    # Compare each frozen block in local coordinates; mutations can shift later offsets.\n",
    "    max_frozen_coordinate_change = 0.0\n",
    "    for block_index in frozen_block_indices:\n",
    "        input_block_type = pose_stack.block_type(0, block_index)\n",
    "        output_block_type = designed_pose.block_type(0, block_index)\n",
    "        assert output_block_type.name == input_block_type.name\n",
    "        n_block_atoms = len(input_block_type.atoms)\n",
    "        input_offset = int(pose_stack.block_coord_offset64[0, block_index])\n",
    "        output_offset = int(designed_pose.block_coord_offset64[0, block_index])\n",
    "        input_block_coords = pose_stack.coords[\n",
    "            0, input_offset : input_offset + n_block_atoms\n",
    "        ]\n",
    "        output_block_coords = designed_pose.coords[\n",
    "            0, output_offset : output_offset + n_block_atoms\n",
    "        ]\n",
    "        # Pose reconstruction may introduce a few micro-angstroms of float32\n",
    "        # roundoff even when packing is disabled for the block.\n",
    "        torch.testing.assert_close(\n",
    "            output_block_coords, input_block_coords, rtol=1e-6, atol=1e-5\n",
    "        )\n",
    "        block_change = float(\n",
    "            torch.linalg.vector_norm(\n",
    "                output_block_coords - input_block_coords, dim=-1\n",
    "            )\n",
    "            .max()\n",
    "            .detach()\n",
    "            .cpu()\n",
    "        )\n",
    "        max_frozen_coordinate_change = max(\n",
    "            max_frozen_coordinate_change, block_change\n",
    "        )\n",
    "\n",
    "    design_poses[label] = designed_pose\n",
    "    design_rows.append(\n",
    "        {\n",
    "            \"batch_member\": pose_index + 1,\n",
    "            \"block_4_identity\": identities[0],\n",
    "            \"block_6_identity\": identities[1],\n",
    "            \"sequence_pair\": \"-\".join(identities),\n",
    "            \"total_score\": total_score(designed_pose),\n",
    "            \"max_frozen_coordinate_change_A\": max_frozen_coordinate_change,\n",
    "            \"shared_batch_seconds\": design_seconds,\n",
    "        }\n",
    "    )\n",
    "\n",
    "design_frame = pd.DataFrame(design_rows).sort_values(\"total_score\")\n",
    "show_table(design_frame)\n",
    "\n",
    "design_shell_atom_mask = res_mask_to_coord_mask(pose_stack, design_shell)\n",
    "try:\n",
    "    design_region_viewer = tmol.view(\n",
    "        pose_stack,\n",
    "        highlighted=design_shell_atom_mask[pose_stack.real_atoms],\n",
    "        highlight_color=\"#ff7f0e\",\n",
    "    )\n",
    "    print(\n",
    "        \"Orange: complete design packing shell; see the role table for \"\n",
    "        \"design, repack-only, and frozen assignments.\"\n",
    "    )\n",
    "    design_region_viewer.show()\n",
    "    display(\n",
    "        tmol.switchable_view(\n",
    "            design_poses,\n",
    "            notes={\n",
    "                f\"batch member {row['batch_member']}\": (\n",
    "                    f\"{row['sequence_pair']}; max frozen coordinate change \"\n",
    "                    f\"{row['max_frozen_coordinate_change_A']:.3f} Å\"\n",
    "                )\n",
    "                for row in design_rows\n",
    "            },\n",
    "            width=720,\n",
    "            height=420,\n",
    "        )\n",
    "    )\n",
    "except ImportError as exc:\n",
    "    print(\"Interactive design comparison unavailable:\", exc)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "3a24eb51",
   "metadata": {},
   "source": [
    "## Rosetta comparison\n",
    "\n",
    "Both systems separate a task describing allowed identities/conformers from the packing algorithm. Rosetta has mature `ResidueSelector`, `TaskOperation`, resfile, mover, and mutation-scan protocol layers. The mutation and design shells above adapt that experimental design explicitly with TMol's centroid/radius adjacency helper and disable masks; neither is an implementation of Rosetta's `NeighborhoodResidueSelector`. The design role table makes the lower-level contract explicit: design positions may change identity, shell neighbors are repack-only, and blocks outside the shell are frozen and checked by block-local coordinate slices.\n",
    "\n",
    "Likewise, Rosetta `ex1`/`ex2` motivate the χ1/χ2 expansion comparison, while TMol receives zero-based chi indices `0`/`1` and does not promise the same candidates. TMol exposes lower-level `PackerPalette`/`PackerTask` masks and GPU-oriented packer machinery, but no native point-mutation-scan protocol or Rosetta `ResidueSelector` equivalent. The [Rosetta-to-TMol crosswalk](rosetta_crosswalk.md) summarizes these boundaries.\n",
    "\n",
    "For the complete Rosetta workflows, see [Optimizing Sidechains: The Packer](https://docs.rosettacommons.org/demos/latest/tutorials/Optimizing_Sidechains_The_Packer/Optimizing_Sidechains_The_Packer), [PyRosetta packing and regional relax](https://nbviewer.org/github/RosettaCommons/PyRosetta.notebooks/blob/master/notebooks/06.02-Packing-design-and-regional-relax.ipynb), [06.08 Point Mutation Scan](https://nbviewer.org/github/RosettaCommons/PyRosetta.notebooks/blob/master/notebooks/06.08-Point-Mutation-Scan.ipynb), and [16.01 distributed ddG/PSSM](https://nbviewer.org/github/RosettaCommons/PyRosetta.notebooks/blob/master/notebooks/16.01-PyData-ddG-pssm.ipynb).\n",
    "\n",
    "## Next: complete the continuous branch\n",
    "\n",
    "Continue to [05 — Minimization, constraints, and kinematics](05_minimization_constraints_kinematics.ipynb) if you have not completed it, then use [06 — FastRelax](06_fast_relax.ipynb) to compose fixed-sequence packing with continuous minimization under a staged score function."
   ]
  },
  {
   "cell_type": "markdown",
   "id": "53543505",
   "metadata": {},
   "source": [
    "## Exercises\n",
    "\n",
    "1. Change the regional repacking mask and verify that disabled blocks retain their input coordinates.\n",
    "2. Change the adjacency constant, redisplay the mutation and design shells, and record which author-labeled blocks change role.\n",
    "3. Increase the scan to at least five independent outcomes per identity; summarize each distribution before computing differences of means, and do not call any score difference a $\\Delta\\Delta G$. Remember that `torch.manual_seed()` still does not seed the CPU C RNG.\n",
    "4. Add Cartesian minimization after each packed variant and state how that changes the computational experiment.\n",
    "5. Sketch an external scheduler that shards positions across GPUs while preserving one result row per position, identity, outcome, and score-function version."
   ]
  },
  {
   "cell_type": "markdown",
   "id": "47862332",
   "metadata": {},
   "source": [
    "## References\n",
    "\n",
    "- [Rosetta-to-TMol crosswalk](rosetta_crosswalk.md)\n",
    "- [Rosetta Packer tutorial](https://docs.rosettacommons.org/demos/latest/tutorials/Optimizing_Sidechains_The_Packer/Optimizing_Sidechains_The_Packer)\n",
    "- [PyRosetta 06.01 Side Chain Conformations and Dunbrack Energies](https://nbviewer.org/github/RosettaCommons/PyRosetta.notebooks/blob/master/notebooks/06.01-Side-Chain-Conformations-and-Dunbrack-Energies.ipynb)\n",
    "- [PyRosetta 06.02 Packing and regional relax](https://nbviewer.org/github/RosettaCommons/PyRosetta.notebooks/blob/master/notebooks/06.02-Packing-design-and-regional-relax.ipynb)\n",
    "- [PyRosetta 06.08 Point Mutation Scan](https://nbviewer.org/github/RosettaCommons/PyRosetta.notebooks/blob/master/notebooks/06.08-Point-Mutation-Scan.ipynb)\n",
    "- [PyRosetta 16.01 distributed ddG/PSSM](https://nbviewer.org/github/RosettaCommons/PyRosetta.notebooks/blob/master/notebooks/16.01-PyData-ddG-pssm.ipynb)\n",
    "- [TMol repository](https://github.com/uw-ipd/tmol)"
   ]
  }
 ],
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