From 2d5664147d1f6bc5f5a012be0b84deb008fe59a6 Mon Sep 17 00:00:00 2001 From: Kevin Wu Date: Mon, 19 Sep 2022 17:22:51 -0700 Subject: [PATCH] Update clean/noisy example --- jupyter/requisite_internal_values.ipynb | 242 +++---- .../noising_visualization/clean.pdb | 618 +++++++++++------- .../noising_visualization/clean_values.pdf | Bin 5649 -> 5006 bytes .../noising_visualization/fully_noised.pdb | 578 +++++++++------- .../fully_noised_values.pdf | Bin 4192 -> 4333 bytes 5 files changed, 864 insertions(+), 574 deletions(-) diff --git a/jupyter/requisite_internal_values.ipynb b/jupyter/requisite_internal_values.ipynb index 18ec768..accc2aa 100644 --- a/jupyter/requisite_internal_values.ipynb +++ b/jupyter/requisite_internal_values.ipynb @@ -11,13 +11,13 @@ }, { "cell_type": "code", - "execution_count": 1, + "execution_count": 2, "metadata": {}, "outputs": [ { "data": { "application/vnd.jupyter.widget-view+json": { - "model_id": "c9260b14b28b468caae81e1f67c5fe4d", + "model_id": "d8262d22419c4a1284528aab2d11de05", "version_major": 2, "version_minor": 0 }, @@ -29,10 +29,10 @@ { "data": { "text/plain": [ - "PosixPath('/home/t-kevinwu/protdiff/data')" + "PosixPath('/home/wukevin/projects/protdiff/data')" ] }, - "execution_count": 1, + "execution_count": 2, "metadata": {}, "output_type": "execute_result" } @@ -71,43 +71,101 @@ }, { "cell_type": "code", - "execution_count": 2, + "execution_count": 8, "metadata": {}, "outputs": [ { "data": { "text/plain": [ - "1" + "24316" ] }, - "execution_count": 2, + "execution_count": 8, "metadata": {}, "output_type": "execute_result" } ], "source": [ - "# Define some simple structures\n", - "sample_structures = [\n", - " datasets.LOCAL_DATA_DIR / \"1CRN.pdb\",\n", - "]\n", - "assert all([s.exists() for s in sample_structures])\n", - "len(sample_structures)" + "importlib.reload(datasets)\n", + "\n", + "train_dset = datasets.CathCanonicalAnglesOnlyDataset(\n", + " split='train',\n", + " zero_center=True,\n", + ")\n", + "len(train_dset.filenames)" ] }, { "cell_type": "code", - "execution_count": 3, + "execution_count": 38, "metadata": {}, "outputs": [ { "data": { - "application/vnd.jupyter.widget-view+json": { - "model_id": "0b4c0ac632604e73a3a38de79c27f5a9", - "version_major": 2, - "version_minor": 0 - }, "text/plain": [ - "NGLWidget()" + "'NoisedAnglesDataset wrapping with 24316 examples with linear-1000 with variance scales 1.0 and 1.0'" + ] + }, + "execution_count": 38, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "train_dset_noised = datasets.NoisedAnglesDataset(\n", + " train_dset,\n", + " timesteps=1000,\n", + ")\n", + "str(train_dset_noised)" + ] + }, + { + "cell_type": "code", + "execution_count": 35, + "metadata": {}, + "outputs": [ + { + "data": { + "application/3dmoljs_load.v0": "
\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\n jupyter labextension install jupyterlab_3dmol

\n
\n", + "text/html": [ + "
\n", + "

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\n", + " jupyter labextension install jupyterlab_3dmol

\n", + "
\n", + "" ] }, "metadata": {}, @@ -126,8 +184,7 @@ " view.addModelsAsFrames(system)\n", " # view.setStyle({'chain': -1}, {\"cartoon\": {'color': 'blue'}})\n", " # view.setStyle({\"model\": -1}, {'stick':{'colorscheme':f\"WhiteCarbon\",'radius':0.3}})\n", - " # view.setStyle({\"cartoon\": {\"color\":\"blue\"}})\n", - " view.setStyle({\"stick\": {}})\n", + " view.setStyle({\"cartoon\": {\"color\":\"blue\"}})\n", " view.zoomTo()\n", " view.show()\n", "\n", @@ -138,34 +195,12 @@ " view.download_image(save_to, factor=10, trim=True, transparent=True)\n", " return view\n", "\n", - "view = view_pdb(sample_structures[0])\n", - "view.display()" + "view = view_pdb_py3dmol(train_dset.filenames[40])" ] }, { "cell_type": "code", - "execution_count": 4, - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "" - ] - }, - "execution_count": 4, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "all_ft_train_dset = datasets.CathCanonicalAnglesDataset(split='train')\n", - "all_ft_train_dset" - ] - }, - { - "cell_type": "code", - "execution_count": 5, + "execution_count": 36, "metadata": {}, "outputs": [ { @@ -174,20 +209,6 @@ "text": [ "1.0\n" ] - }, - { - "data": { - "application/vnd.jupyter.widget-view+json": { - "model_id": "d362c83b1a5541dbb83a17260a1e9cf0", - "version_major": 2, - "version_minor": 0 - }, - "text/plain": [ - "NGLWidget()" - ] - }, - "metadata": {}, - "output_type": "display_data" } ], "source": [ @@ -221,9 +242,8 @@ " view = view_pdb(out_fname)\n", " return score, view\n", "\n", - "score, view = test_consistency(sample_structures[0], visualize=True)\n", - "print(score)\n", - "view.display()" + "score, view = test_consistency(train_dset.filenames[40], visualize=True)\n", + "print(score)" ] }, { @@ -235,65 +255,15 @@ }, { "cell_type": "code", - "execution_count": 6, + "execution_count": 39, "metadata": {}, "outputs": [ { "data": { - "text/plain": [ - "24316" - ] - }, - "execution_count": 6, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "importlib.reload(datasets)\n", - "\n", - "train_dset = datasets.CathCanonicalAnglesOnlyDataset(\n", - " split='train',\n", - " zero_center=True,\n", - ")\n", - "len(train_dset.filenames)" - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "'NoisedAnglesDataset wrapping with 24316 examples with linear-1000 with variance scales 1.0 and 1.0'" - ] - }, - "execution_count": 7, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "train_dset_noised = datasets.NoisedAnglesDataset(\n", - " train_dset,\n", - " timesteps=1000,\n", - ")\n", - "str(train_dset_noised)" - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "metadata": {}, - "outputs": [ - { - "data": { - "application/3dmoljs_load.v0": "
\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\n jupyter labextension install jupyterlab_3dmol

\n
\n", + "application/3dmoljs_load.v0": "
\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\n jupyter labextension install jupyterlab_3dmol

\n
\n", "text/html": [ - "
\n", - "

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\n", + "

\n", + "

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\n", " jupyter labextension install jupyterlab_3dmol

\n", "
\n", "" ] @@ -337,18 +307,18 @@ } ], "source": [ - "view_pdb_py3dmol(train_dset.filenames[1])" + "view_pdb_py3dmol(train_dset.filenames[40])" ] }, { "cell_type": "code", - "execution_count": 9, + "execution_count": 40, "metadata": {}, "outputs": [ { "data": { "application/vnd.jupyter.widget-view+json": { - "model_id": "d892574fb2df4cce83cffdd2493e2997", + "model_id": "86de406ac0494f9aa0bc856a8694f8ca", "version_major": 2, "version_minor": 0 }, @@ -384,7 +354,7 @@ " return view_pdb(fname), angles\n", "\n", "noised_view, noised_angles = visualize_training_example(\n", - " i=1, timestep=999,\n", + " i=40, timestep=999,\n", " struct_pdb=\"../plots/pdb_structures/noising_visualization/fully_noised.pdb\",\n", ")\n", "noised_view" @@ -392,12 +362,12 @@ }, { "cell_type": "code", - "execution_count": 10, + "execution_count": 41, "metadata": {}, "outputs": [ { "data": { - "image/png": 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" ] @@ -429,13 +399,13 @@ }, { "cell_type": "code", - "execution_count": 11, + "execution_count": 42, "metadata": {}, "outputs": [ { "data": { "application/vnd.jupyter.widget-view+json": { - "model_id": "9f33735e1dbd4a0aab9eaab18ec0f4c5", + "model_id": "32550c242d3547bd9af19153f08ba4b7", "version_major": 2, "version_minor": 0 }, @@ -457,12 +427,12 @@ }, { "cell_type": "code", - "execution_count": 12, + "execution_count": 43, "metadata": {}, "outputs": [ { "data": { - "image/png": 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" ] @@ -969,7 +939,7 @@ "orig_nbformat": 4, "vscode": { "interpreter": { - "hash": "82eef42d9d266e3eab77afedf778ea2e9b0ef94de45309bb0162778ce7b89777" + "hash": "cf07cdbb5a58b114eee5e846da7a73ac6752c99f32447416b79ca92908fa8f46" } } }, diff --git a/plots/pdb_structures/noising_visualization/clean.pdb b/plots/pdb_structures/noising_visualization/clean.pdb index cf23fe4..13a4e0d 100644 --- a/plots/pdb_structures/noising_visualization/clean.pdb +++ b/plots/pdb_structures/noising_visualization/clean.pdb @@ -1,222 +1,330 @@ -ATOM 1 N GLY A 1 -7.033 9.417 -7.873 1.00 5.00 N -ATOM 2 CA GLY A 1 -7.113 8.102 -7.160 1.00 5.00 C -ATOM 3 C GLY A 1 -8.395 8.073 -6.365 1.00 5.00 C -ATOM 4 N GLY A 2 -8.990 6.897 -6.125 1.00 5.00 N -ATOM 5 CA GLY A 2 -10.238 6.854 -5.367 1.00 5.00 C -ATOM 6 C GLY A 2 -10.290 5.606 -4.467 1.00 5.00 C -ATOM 7 N GLY A 3 -10.988 5.748 -3.332 1.00 5.00 N -ATOM 8 CA GLY A 3 -11.212 4.552 -2.526 1.00 5.00 C -ATOM 9 C GLY A 3 -12.078 3.633 -3.407 1.00 5.00 C -ATOM 10 N GLY A 4 -11.704 2.348 -3.456 1.00 5.00 N -ATOM 11 CA GLY A 4 -12.456 1.396 -4.268 1.00 5.00 C -ATOM 12 C GLY A 4 -11.743 1.035 -5.585 1.00 5.00 C -ATOM 13 N GLY A 5 -10.751 1.839 -5.991 1.00 5.00 N -ATOM 14 CA GLY A 5 -10.036 1.499 -7.217 1.00 5.00 C -ATOM 15 C GLY A 5 -9.295 0.157 -7.062 1.00 5.00 C -ATOM 16 N GLY A 6 -9.361 -0.589 -8.173 1.00 5.00 N -ATOM 17 CA GLY A 6 -8.572 -1.813 -8.276 1.00 5.00 C -ATOM 18 C GLY A 6 -7.197 -1.401 -8.835 1.00 5.00 C -ATOM 19 N GLY A 7 -6.113 -1.947 -8.267 1.00 5.00 N -ATOM 20 CA GLY A 7 -4.749 -1.627 -8.678 1.00 5.00 C -ATOM 21 C GLY A 7 -3.888 -2.899 -8.795 1.00 5.00 C -ATOM 22 N GLY A 8 -2.846 -2.786 -9.631 1.00 5.00 N -ATOM 23 CA GLY A 8 -1.843 -3.827 -9.837 1.00 5.00 C -ATOM 24 C GLY A 8 -0.508 -3.278 -9.301 1.00 5.00 C -ATOM 25 N GLY A 9 0.198 -4.071 -8.485 1.00 5.00 N -ATOM 26 CA GLY A 9 1.492 -3.608 -7.991 1.00 5.00 C -ATOM 27 C GLY A 9 2.453 -3.723 -9.189 1.00 5.00 C -ATOM 28 N GLY A 10 2.834 -2.585 -9.786 1.00 5.00 N -ATOM 29 CA GLY A 10 3.645 -2.631 -10.998 1.00 5.00 C -ATOM 30 C GLY A 10 5.142 -2.434 -10.693 1.00 5.00 C -ATOM 31 N GLY A 11 5.529 -1.752 -9.607 1.00 5.00 N -ATOM 32 CA GLY A 11 6.931 -1.657 -9.211 1.00 5.00 C -ATOM 33 C GLY A 11 7.289 -2.860 -8.318 1.00 5.00 C -ATOM 34 N GLY A 12 8.587 -3.147 -8.147 1.00 5.00 N -ATOM 35 CA GLY A 12 8.999 -4.193 -7.216 1.00 5.00 C -ATOM 36 C GLY A 12 8.920 -3.595 -5.799 1.00 5.00 C -ATOM 37 N GLY A 13 8.125 -4.220 -4.920 1.00 5.00 N -ATOM 38 CA GLY A 13 7.953 -3.733 -3.554 1.00 5.00 C -ATOM 39 C GLY A 13 8.174 -4.927 -2.608 1.00 5.00 C -ATOM 40 N GLY A 14 9.297 -4.955 -1.877 1.00 5.00 N -ATOM 41 CA GLY A 14 9.604 -6.089 -1.010 1.00 5.00 C -ATOM 42 C GLY A 14 9.121 -5.816 0.427 1.00 5.00 C -ATOM 43 N GLY A 15 8.234 -6.666 0.963 1.00 5.00 N -ATOM 44 CA GLY A 15 7.689 -6.452 2.301 1.00 5.00 C -ATOM 45 C GLY A 15 7.931 -7.677 3.202 1.00 5.00 C -ATOM 46 N GLY A 16 7.814 -7.416 4.511 1.00 5.00 N -ATOM 47 CA GLY A 16 8.073 -8.393 5.564 1.00 5.00 C -ATOM 48 C GLY A 16 6.865 -8.660 6.481 1.00 5.00 C -ATOM 49 N GLY A 17 5.678 -8.089 6.235 1.00 5.00 N -ATOM 50 CA GLY A 17 4.501 -8.296 7.074 1.00 5.00 C -ATOM 51 C GLY A 17 3.342 -9.053 6.399 1.00 5.00 C -ATOM 52 N GLY A 18 3.563 -9.707 5.251 1.00 5.00 N -ATOM 53 CA GLY A 18 2.485 -10.462 4.618 1.00 5.00 C -ATOM 54 C GLY A 18 2.153 -11.676 5.506 1.00 5.00 C -ATOM 55 N GLY A 19 0.872 -11.976 5.757 1.00 5.00 N -ATOM 56 CA GLY A 19 0.428 -13.077 6.607 1.00 5.00 C -ATOM 57 C GLY A 19 0.886 -14.469 6.133 1.00 5.00 C -ATOM 58 N GLY A 20 1.217 -14.655 4.848 1.00 5.00 N -ATOM 59 CA GLY A 20 1.727 -15.919 4.325 1.00 5.00 C -ATOM 60 C GLY A 20 3.265 -15.986 4.320 1.00 5.00 C -ATOM 61 N GLY A 21 3.980 -14.886 4.592 1.00 5.00 N -ATOM 62 CA GLY A 21 5.436 -14.789 4.530 1.00 5.00 C -ATOM 63 C GLY A 21 5.946 -13.983 5.739 1.00 5.00 C -ATOM 64 N GLY A 22 5.369 -14.318 6.901 1.00 5.00 N -ATOM 65 CA GLY A 22 5.680 -13.569 8.115 1.00 5.00 C -ATOM 66 C GLY A 22 7.204 -13.516 8.333 1.00 5.00 C -ATOM 67 N GLY A 23 7.755 -12.316 8.559 1.00 5.00 N -ATOM 68 CA GLY A 23 9.175 -12.094 8.811 1.00 5.00 C -ATOM 69 C GLY A 23 10.146 -12.322 7.638 1.00 5.00 C -ATOM 70 N GLY A 24 9.685 -12.672 6.430 1.00 5.00 N -ATOM 71 CA GLY A 24 10.578 -12.907 5.299 1.00 5.00 C -ATOM 72 C GLY A 24 10.238 -11.937 4.152 1.00 5.00 C -ATOM 73 N GLY A 25 11.269 -11.598 3.366 1.00 5.00 N -ATOM 74 CA GLY A 25 11.152 -10.630 2.279 1.00 5.00 C -ATOM 75 C GLY A 25 10.233 -11.056 1.119 1.00 5.00 C -ATOM 76 N GLY A 26 9.272 -10.189 0.770 1.00 5.00 N -ATOM 77 CA GLY A 26 8.292 -10.472 -0.274 1.00 5.00 C -ATOM 78 C GLY A 26 8.051 -9.197 -1.103 1.00 5.00 C -ATOM 79 N GLY A 27 8.280 -9.303 -2.419 1.00 5.00 N -ATOM 80 CA GLY A 27 8.098 -8.160 -3.310 1.00 5.00 C -ATOM 81 C GLY A 27 6.617 -8.113 -3.729 1.00 5.00 C -ATOM 82 N GLY A 28 6.024 -6.927 -3.539 1.00 5.00 N -ATOM 83 CA GLY A 28 4.627 -6.688 -3.893 1.00 5.00 C -ATOM 84 C GLY A 28 4.439 -6.245 -5.356 1.00 5.00 C -ATOM 85 N GLY A 29 5.522 -5.933 -6.080 1.00 5.00 N -ATOM 86 CA GLY A 29 5.364 -5.534 -7.476 1.00 5.00 C -ATOM 87 C GLY A 29 4.445 -6.499 -8.247 1.00 5.00 C -ATOM 88 N GLY A 30 3.458 -5.895 -8.923 1.00 5.00 N -ATOM 89 CA GLY A 30 2.485 -6.635 -9.721 1.00 5.00 C -ATOM 90 C GLY A 30 1.148 -6.857 -8.989 1.00 5.00 C -ATOM 91 N GLY A 31 1.182 -6.787 -7.651 1.00 5.00 N -ATOM 92 CA GLY A 31 -0.046 -6.968 -6.882 1.00 5.00 C -ATOM 93 C GLY A 31 -1.016 -5.796 -7.125 1.00 5.00 C -ATOM 94 N GLY A 32 -2.319 -6.087 -7.018 1.00 5.00 N -ATOM 95 CA GLY A 32 -3.376 -5.093 -7.186 1.00 5.00 C -ATOM 96 C GLY A 32 -4.257 -5.015 -5.925 1.00 5.00 C -ATOM 97 N GLY A 33 -4.558 -3.780 -5.501 1.00 5.00 N -ATOM 98 CA GLY A 33 -5.364 -3.588 -4.299 1.00 5.00 C -ATOM 99 C GLY A 33 -6.214 -2.312 -4.446 1.00 5.00 C -ATOM 100 N GLY A 34 -6.686 -1.773 -3.314 1.00 5.00 N -ATOM 101 CA GLY A 34 -7.501 -0.563 -3.314 1.00 5.00 C -ATOM 102 C GLY A 34 -6.948 0.454 -2.298 1.00 5.00 C -ATOM 103 N GLY A 35 -6.964 1.734 -2.693 1.00 5.00 N -ATOM 104 CA GLY A 35 -6.487 2.761 -1.771 1.00 5.00 C -ATOM 105 C GLY A 35 -7.487 2.843 -0.602 1.00 5.00 C -ATOM 106 N GLY A 36 -6.923 2.729 0.608 1.00 5.00 N -ATOM 107 CA GLY A 36 -7.706 2.787 1.838 1.00 5.00 C -ATOM 108 C GLY A 36 -7.550 4.160 2.517 1.00 5.00 C -ATOM 109 N GLY A 37 -6.414 4.823 2.259 1.00 5.00 N -ATOM 110 CA GLY A 37 -6.195 6.118 2.898 1.00 5.00 C -ATOM 111 C GLY A 37 -5.040 6.871 2.211 1.00 5.00 C -ATOM 112 N GLY A 38 -5.053 8.203 2.355 1.00 5.00 N -ATOM 113 CA GLY A 38 -3.937 9.013 1.875 1.00 5.00 C -ATOM 114 C GLY A 38 -3.599 9.869 3.110 1.00 5.00 C -ATOM 115 N GLY A 39 -2.488 9.527 3.777 1.00 5.00 N -ATOM 116 CA GLY A 39 -2.061 10.219 4.990 1.00 5.00 C -ATOM 117 C GLY A 39 -1.422 11.596 4.733 1.00 5.00 C -ATOM 118 N GLY A 40 -2.104 12.706 5.049 1.00 5.00 N -ATOM 119 CA GLY A 40 -1.505 14.028 4.889 1.00 5.00 C -ATOM 120 C GLY A 40 -1.656 14.778 6.225 1.00 5.00 C -ATOM 121 N GLY A 41 -2.519 14.267 7.113 1.00 5.00 N -ATOM 122 CA GLY A 41 -2.715 14.890 8.419 1.00 5.00 C -ATOM 123 C GLY A 41 -3.451 14.003 9.440 1.00 5.00 C -ATOM 124 N GLY A 42 -3.282 14.361 10.720 1.00 5.00 N -ATOM 125 CA GLY A 42 -3.961 13.675 11.816 1.00 5.00 C -ATOM 126 C GLY A 42 -4.779 14.767 12.531 1.00 5.00 C -ATOM 127 N GLY A 43 -6.109 14.707 12.378 1.00 5.00 N -ATOM 128 CA GLY A 43 -7.000 15.711 12.952 1.00 5.00 C -ATOM 129 C GLY A 43 -6.496 17.136 12.657 1.00 5.00 C -ATOM 130 N GLY A 44 -6.291 17.458 11.373 1.00 5.00 N -ATOM 131 CA GLY A 44 -5.881 18.782 10.914 1.00 5.00 C -ATOM 132 C GLY A 44 -4.400 19.174 11.075 1.00 5.00 C -ATOM 133 N GLY A 45 -3.594 18.342 11.748 1.00 5.00 N -ATOM 134 CA GLY A 45 -2.182 18.626 11.988 1.00 5.00 C -ATOM 135 C GLY A 45 -1.352 17.731 11.050 1.00 5.00 C -ATOM 136 N GLY A 46 -0.704 18.344 10.049 1.00 5.00 N -ATOM 137 CA GLY A 46 0.125 17.618 9.091 1.00 5.00 C -ATOM 138 C GLY A 46 1.105 16.655 9.786 1.00 5.00 C -ATOM 139 N GLY A 47 1.229 15.444 9.226 1.00 5.00 N -ATOM 140 CA GLY A 47 2.146 14.418 9.713 1.00 5.00 C -ATOM 141 C GLY A 47 3.079 14.062 8.541 1.00 5.00 C -ATOM 142 N GLY A 48 4.220 13.433 8.854 1.00 5.00 N -ATOM 143 CA GLY A 48 5.275 13.166 7.881 1.00 5.00 C -ATOM 144 C GLY A 48 5.479 11.711 7.418 1.00 5.00 C -ATOM 145 N GLY A 49 4.445 10.860 7.465 1.00 5.00 N -ATOM 146 CA GLY A 49 4.596 9.495 6.972 1.00 5.00 C -ATOM 147 C GLY A 49 5.219 9.519 5.563 1.00 5.00 C -ATOM 148 N GLY A 50 6.258 8.709 5.322 1.00 5.00 N -ATOM 149 CA GLY A 50 6.874 8.751 3.999 1.00 5.00 C -ATOM 150 C GLY A 50 6.458 7.603 3.062 1.00 5.00 C -ATOM 151 N GLY A 51 5.456 6.829 3.502 1.00 5.00 N -ATOM 152 CA GLY A 51 4.762 5.809 2.722 1.00 5.00 C -ATOM 153 C GLY A 51 3.282 6.082 3.049 1.00 5.00 C -ATOM 154 N GLY A 52 2.709 7.154 2.485 1.00 5.00 N -ATOM 155 CA GLY A 52 1.419 7.712 2.881 1.00 5.00 C -ATOM 156 C GLY A 52 0.160 7.035 2.307 1.00 5.00 C -ATOM 157 N GLY A 53 0.374 6.229 1.258 1.00 5.00 N -ATOM 158 CA GLY A 53 -0.762 5.585 0.606 1.00 5.00 C -ATOM 159 C GLY A 53 -0.955 4.178 1.201 1.00 5.00 C -ATOM 160 N GLY A 54 -2.027 4.012 1.989 1.00 5.00 N -ATOM 161 CA GLY A 54 -2.316 2.743 2.650 1.00 5.00 C -ATOM 162 C GLY A 54 -3.255 1.942 1.730 1.00 5.00 C -ATOM 163 N GLY A 55 -2.817 0.735 1.345 1.00 5.00 N -ATOM 164 CA GLY A 55 -3.603 -0.061 0.407 1.00 5.00 C -ATOM 165 C GLY A 55 -4.045 -1.376 1.076 1.00 5.00 C -ATOM 166 N GLY A 56 -5.355 -1.640 0.969 1.00 5.00 N -ATOM 167 CA GLY A 56 -5.909 -2.888 1.486 1.00 5.00 C -ATOM 168 C GLY A 56 -6.113 -3.899 0.342 1.00 5.00 C -ATOM 169 N GLY A 57 -5.624 -5.120 0.600 1.00 5.00 N -ATOM 170 CA GLY A 57 -5.683 -6.255 -0.316 1.00 5.00 C -ATOM 171 C GLY A 57 -6.497 -7.421 0.276 1.00 5.00 C -ATOM 172 N GLY A 58 -6.681 -8.477 -0.529 1.00 5.00 N -ATOM 173 CA GLY A 58 -7.408 -9.654 -0.064 1.00 5.00 C -ATOM 174 C GLY A 58 -6.616 -10.331 1.070 1.00 5.00 C -ATOM 175 N GLY A 59 -7.312 -11.215 1.798 1.00 5.00 N -ATOM 176 CA GLY A 59 -6.734 -12.008 2.879 1.00 5.00 C -ATOM 177 C GLY A 59 -6.349 -11.157 4.104 1.00 5.00 C -ATOM 178 N GLY A 60 -7.137 -10.116 4.406 1.00 5.00 N -ATOM 179 CA GLY A 60 -6.880 -9.259 5.560 1.00 5.00 C -ATOM 180 C GLY A 60 -5.402 -8.833 5.637 1.00 5.00 C -ATOM 181 N GLY A 61 -4.882 -8.310 4.518 1.00 5.00 N -ATOM 182 CA GLY A 61 -3.483 -7.906 4.419 1.00 5.00 C -ATOM 183 C GLY A 61 -3.394 -6.439 3.957 1.00 5.00 C -ATOM 184 N GLY A 62 -2.498 -5.654 4.570 1.00 5.00 N -ATOM 185 CA GLY A 62 -2.292 -4.284 4.111 1.00 5.00 C -ATOM 186 C GLY A 62 -0.781 -3.989 4.155 1.00 5.00 C -ATOM 187 N GLY A 63 -0.344 -3.026 3.332 1.00 5.00 N -ATOM 188 CA GLY A 63 1.065 -2.643 3.336 1.00 5.00 C -ATOM 189 C GLY A 63 1.154 -1.179 2.867 1.00 5.00 C -ATOM 190 N GLY A 64 2.249 -0.502 3.237 1.00 5.00 N -ATOM 191 CA GLY A 64 2.428 0.907 2.900 1.00 5.00 C -ATOM 192 C GLY A 64 3.410 1.105 1.730 1.00 5.00 C -ATOM 193 N GLY A 65 3.130 2.070 0.843 1.00 5.00 N -ATOM 194 CA GLY A 65 3.928 2.331 -0.351 1.00 5.00 C -ATOM 195 C GLY A 65 4.162 3.828 -0.625 1.00 5.00 C -ATOM 196 N GLY A 66 5.196 4.083 -1.439 1.00 5.00 N -ATOM 197 CA GLY A 66 5.400 5.421 -1.987 1.00 5.00 C -ATOM 198 C GLY A 66 4.398 5.510 -3.153 1.00 5.00 C -ATOM 199 N GLY A 67 4.027 6.736 -3.548 1.00 5.00 N -ATOM 200 CA GLY A 67 3.121 6.941 -4.674 1.00 5.00 C -ATOM 201 C GLY A 67 3.686 6.379 -5.992 1.00 5.00 C -ATOM 202 N GLY A 68 5.010 6.389 -6.196 1.00 5.00 N -ATOM 203 CA GLY A 68 5.614 5.889 -7.427 1.00 5.00 C -ATOM 204 C GLY A 68 5.677 4.354 -7.542 1.00 5.00 C -ATOM 205 N GLY A 69 5.291 3.583 -6.517 1.00 5.00 N -ATOM 206 CA GLY A 69 5.416 2.132 -6.625 1.00 5.00 C -ATOM 207 C GLY A 69 4.108 1.433 -7.042 1.00 5.00 C -ATOM 208 N GLY A 70 2.974 2.146 -7.050 1.00 5.00 N -ATOM 209 CA GLY A 70 1.654 1.618 -7.382 1.00 5.00 C -ATOM 210 C GLY A 70 1.030 2.404 -8.550 1.00 5.00 C -ATOM 211 N GLY A 71 0.132 1.699 -9.252 1.00 5.00 N -ATOM 212 CA GLY A 71 -0.585 2.224 -10.410 1.00 5.00 C -ATOM 213 C GLY A 71 -2.095 1.939 -10.312 1.00 5.00 C -ATOM 214 N GLY A 72 -2.880 2.995 -10.566 1.00 5.00 N -ATOM 215 CA GLY A 72 -4.336 2.893 -10.514 1.00 5.00 C -ATOM 216 C GLY A 72 -4.779 1.819 -11.525 1.00 5.00 C -ATOM 217 N GLY A 73 -5.521 0.831 -11.008 1.00 5.00 N -ATOM 218 CA GLY A 73 -5.917 -0.288 -11.858 1.00 5.00 C -ATOM 219 C GLY A 73 -6.841 0.224 -12.978 1.00 5.00 C +ATOM 1 N GLY A 1 -2.603 -6.458 -13.717 1.00 5.00 N +ATOM 2 CA GLY A 1 -2.683 -7.773 -13.004 1.00 5.00 C +ATOM 3 C GLY A 1 -3.965 -7.802 -12.209 1.00 5.00 C +ATOM 4 N GLY A 2 -4.600 -8.981 -12.163 1.00 5.00 N +ATOM 5 CA GLY A 2 -5.833 -9.147 -11.399 1.00 5.00 C +ATOM 6 C GLY A 2 -7.063 -8.577 -12.131 1.00 5.00 C +ATOM 7 N GLY A 3 -8.214 -8.550 -11.446 1.00 5.00 N +ATOM 8 CA GLY A 3 -9.453 -8.040 -12.025 1.00 5.00 C +ATOM 9 C GLY A 3 -9.753 -6.631 -11.479 1.00 5.00 C +ATOM 10 N GLY A 4 -9.367 -6.384 -10.220 1.00 5.00 N +ATOM 11 CA GLY A 4 -9.597 -5.084 -9.596 1.00 5.00 C +ATOM 12 C GLY A 4 -8.270 -4.369 -9.279 1.00 5.00 C +ATOM 13 N GLY A 5 -8.347 -3.078 -8.926 1.00 5.00 N +ATOM 14 CA GLY A 5 -7.144 -2.320 -8.593 1.00 5.00 C +ATOM 15 C GLY A 5 -7.422 -1.126 -7.662 1.00 5.00 C +ATOM 16 N GLY A 6 -6.632 -1.026 -6.584 1.00 5.00 N +ATOM 17 CA GLY A 6 -6.788 0.069 -5.629 1.00 5.00 C +ATOM 18 C GLY A 6 -5.898 1.264 -6.020 1.00 5.00 C +ATOM 19 N GLY A 7 -6.546 2.371 -6.408 1.00 5.00 N +ATOM 20 CA GLY A 7 -5.830 3.576 -6.817 1.00 5.00 C +ATOM 21 C GLY A 7 -5.843 4.657 -5.720 1.00 5.00 C +ATOM 22 N GLY A 8 -4.734 5.404 -5.632 1.00 5.00 N +ATOM 23 CA GLY A 8 -4.578 6.492 -4.671 1.00 5.00 C +ATOM 24 C GLY A 8 -4.905 7.837 -5.346 1.00 5.00 C +ATOM 25 N GLY A 9 -6.024 8.442 -4.924 1.00 5.00 N +ATOM 26 CA GLY A 9 -6.474 9.712 -5.487 1.00 5.00 C +ATOM 27 C GLY A 9 -5.723 10.910 -4.876 1.00 5.00 C +ATOM 28 N GLY A 10 -4.733 10.644 -4.014 1.00 5.00 N +ATOM 29 CA GLY A 10 -3.977 11.736 -3.409 1.00 5.00 C +ATOM 30 C GLY A 10 -2.522 11.305 -3.144 1.00 5.00 C +ATOM 31 N GLY A 11 -1.577 12.251 -3.235 1.00 5.00 N +ATOM 32 CA GLY A 11 -0.155 11.990 -3.029 1.00 5.00 C +ATOM 33 C GLY A 11 0.173 11.734 -1.546 1.00 5.00 C +ATOM 34 N GLY A 12 0.963 10.686 -1.276 1.00 5.00 N +ATOM 35 CA GLY A 12 1.351 10.336 0.087 1.00 5.00 C +ATOM 36 C GLY A 12 2.569 9.394 0.103 1.00 5.00 C +ATOM 37 N GLY A 13 3.130 9.162 1.298 1.00 5.00 N +ATOM 38 CA GLY A 13 4.283 8.282 1.469 1.00 5.00 C +ATOM 39 C GLY A 13 3.882 7.001 2.224 1.00 5.00 C +ATOM 40 N GLY A 14 3.850 5.884 1.484 1.00 5.00 N +ATOM 41 CA GLY A 14 3.494 4.589 2.056 1.00 5.00 C +ATOM 42 C GLY A 14 4.714 3.921 2.719 1.00 5.00 C +ATOM 43 N GLY A 15 4.566 3.622 4.016 1.00 5.00 N +ATOM 44 CA GLY A 15 5.637 2.991 4.781 1.00 5.00 C +ATOM 45 C GLY A 15 5.716 1.479 4.499 1.00 5.00 C +ATOM 46 N GLY A 16 6.793 0.849 4.988 1.00 5.00 N +ATOM 47 CA GLY A 16 6.986 -0.585 4.787 1.00 5.00 C +ATOM 48 C GLY A 16 5.832 -1.402 5.396 1.00 5.00 C +ATOM 49 N GLY A 17 5.443 -1.050 6.629 1.00 5.00 N +ATOM 50 CA GLY A 17 4.377 -1.749 7.341 1.00 5.00 C +ATOM 51 C GLY A 17 3.036 -1.682 6.586 1.00 5.00 C +ATOM 52 N GLY A 18 2.722 -0.529 5.980 1.00 5.00 N +ATOM 53 CA GLY A 18 1.464 -0.389 5.251 1.00 5.00 C +ATOM 54 C GLY A 18 1.379 -1.431 4.120 1.00 5.00 C +ATOM 55 N GLY A 19 2.524 -1.760 3.507 1.00 5.00 N +ATOM 56 CA GLY A 19 2.543 -2.738 2.424 1.00 5.00 C +ATOM 57 C GLY A 19 2.327 -4.175 2.935 1.00 5.00 C +ATOM 58 N GLY A 20 3.097 -4.551 3.965 1.00 5.00 N +ATOM 59 CA GLY A 20 3.016 -5.892 4.536 1.00 5.00 C +ATOM 60 C GLY A 20 1.872 -6.022 5.558 1.00 5.00 C +ATOM 61 N GLY A 21 1.742 -5.053 6.475 1.00 5.00 N +ATOM 62 CA GLY A 21 0.705 -5.096 7.501 1.00 5.00 C +ATOM 63 C GLY A 21 -0.685 -5.284 6.866 1.00 5.00 C +ATOM 64 N GLY A 22 -0.974 -4.493 5.824 1.00 5.00 N +ATOM 65 CA GLY A 22 -2.249 -4.574 5.117 1.00 5.00 C +ATOM 66 C GLY A 22 -2.361 -5.929 4.393 1.00 5.00 C +ATOM 67 N GLY A 23 -1.245 -6.371 3.796 1.00 5.00 N +ATOM 68 CA GLY A 23 -1.215 -7.651 3.094 1.00 5.00 C +ATOM 69 C GLY A 23 -1.572 -8.807 4.048 1.00 5.00 C +ATOM 70 N GLY A 24 -1.029 -8.752 5.271 1.00 5.00 N +ATOM 71 CA GLY A 24 -1.294 -9.792 6.261 1.00 5.00 C +ATOM 72 C GLY A 24 -2.797 -9.926 6.567 1.00 5.00 C +ATOM 73 N GLY A 25 -3.458 -8.778 6.770 1.00 5.00 N +ATOM 74 CA GLY A 25 -4.886 -8.743 7.069 1.00 5.00 C +ATOM 75 C GLY A 25 -5.710 -9.285 5.886 1.00 5.00 C +ATOM 76 N GLY A 26 -5.254 -8.979 4.664 1.00 5.00 N +ATOM 77 CA GLY A 26 -5.939 -9.422 3.453 1.00 5.00 C +ATOM 78 C GLY A 26 -5.758 -10.938 3.254 1.00 5.00 C +ATOM 79 N GLY A 27 -4.507 -11.401 3.374 1.00 5.00 N +ATOM 80 CA GLY A 27 -4.205 -12.818 3.191 1.00 5.00 C +ATOM 81 C GLY A 27 -5.028 -13.697 4.151 1.00 5.00 C +ATOM 82 N GLY A 28 -5.181 -13.222 5.394 1.00 5.00 N +ATOM 83 CA GLY A 28 -5.954 -13.922 6.416 1.00 5.00 C +ATOM 84 C GLY A 28 -7.467 -13.776 6.165 1.00 5.00 C +ATOM 85 N GLY A 29 -7.839 -12.648 5.545 1.00 5.00 N +ATOM 86 CA GLY A 29 -9.239 -12.355 5.249 1.00 5.00 C +ATOM 87 C GLY A 29 -9.864 -13.447 4.361 1.00 5.00 C +ATOM 88 N GLY A 30 -9.214 -13.732 3.224 1.00 5.00 N +ATOM 89 CA GLY A 30 -9.714 -14.753 2.307 1.00 5.00 C +ATOM 90 C GLY A 30 -9.983 -16.083 3.035 1.00 5.00 C +ATOM 91 N GLY A 31 -11.246 -16.354 3.392 1.00 5.00 N +ATOM 92 CA GLY A 31 -11.588 -17.590 4.089 1.00 5.00 C +ATOM 93 C GLY A 31 -11.219 -18.820 3.239 1.00 5.00 C +ATOM 94 N GLY A 32 -11.320 -18.678 1.911 1.00 5.00 N +ATOM 95 CA GLY A 32 -11.005 -19.770 0.994 1.00 5.00 C +ATOM 96 C GLY A 32 -9.616 -19.556 0.364 1.00 5.00 C +ATOM 97 N GLY A 33 -8.693 -18.956 1.128 1.00 5.00 N +ATOM 98 CA GLY A 33 -7.348 -18.712 0.613 1.00 5.00 C +ATOM 99 C GLY A 33 -7.308 -17.690 -0.539 1.00 5.00 C +ATOM 100 N GLY A 34 -6.099 -17.213 -0.868 1.00 5.00 N +ATOM 101 CA GLY A 34 -5.946 -16.237 -1.943 1.00 5.00 C +ATOM 102 C GLY A 34 -4.512 -15.692 -2.078 1.00 5.00 C +ATOM 103 N GLY A 35 -4.206 -15.057 -3.218 1.00 5.00 N +ATOM 104 CA GLY A 35 -2.870 -14.513 -3.443 1.00 5.00 C +ATOM 105 C GLY A 35 -2.963 -13.039 -3.876 1.00 5.00 C +ATOM 106 N GLY A 36 -2.053 -12.215 -3.340 1.00 5.00 N +ATOM 107 CA GLY A 36 -2.019 -10.793 -3.671 1.00 5.00 C +ATOM 108 C GLY A 36 -0.703 -10.439 -4.389 1.00 5.00 C +ATOM 109 N GLY A 37 -0.756 -9.424 -5.262 1.00 5.00 N +ATOM 110 CA GLY A 37 0.426 -8.966 -5.986 1.00 5.00 C +ATOM 111 C GLY A 37 0.735 -7.506 -5.605 1.00 5.00 C +ATOM 112 N GLY A 38 1.928 -7.257 -5.048 1.00 5.00 N +ATOM 113 CA GLY A 38 2.316 -5.912 -4.634 1.00 5.00 C +ATOM 114 C GLY A 38 3.412 -5.316 -5.538 1.00 5.00 C +ATOM 115 N GLY A 39 3.237 -4.037 -5.898 1.00 5.00 N +ATOM 116 CA GLY A 39 4.189 -3.343 -6.759 1.00 5.00 C +ATOM 117 C GLY A 39 4.848 -2.168 -6.012 1.00 5.00 C +ATOM 118 N GLY A 40 4.104 -1.589 -5.059 1.00 5.00 N +ATOM 119 CA GLY A 40 4.644 -0.482 -4.276 1.00 5.00 C +ATOM 120 C GLY A 40 5.874 -0.928 -3.464 1.00 5.00 C +ATOM 121 N GLY A 41 6.914 -0.082 -3.475 1.00 5.00 N +ATOM 122 CA GLY A 41 8.154 -0.368 -2.759 1.00 5.00 C +ATOM 123 C GLY A 41 8.734 0.906 -2.116 1.00 5.00 C +ATOM 124 N GLY A 42 9.258 0.799 -0.888 1.00 5.00 N +ATOM 125 CA GLY A 42 9.843 1.924 -0.163 1.00 5.00 C +ATOM 126 C GLY A 42 11.183 2.395 -0.757 1.00 5.00 C +ATOM 127 N GLY A 43 11.250 3.678 -1.139 1.00 5.00 N +ATOM 128 CA GLY A 43 12.474 4.239 -1.704 1.00 5.00 C +ATOM 129 C GLY A 43 12.680 5.665 -1.159 1.00 5.00 C +ATOM 130 N GLY A 44 11.612 6.472 -1.207 1.00 5.00 N +ATOM 131 CA GLY A 44 11.688 7.836 -0.694 1.00 5.00 C +ATOM 132 C GLY A 44 11.871 7.839 0.835 1.00 5.00 C +ATOM 133 N GLY A 45 12.915 8.496 1.358 1.00 5.00 N +ATOM 134 CA GLY A 45 13.173 8.556 2.794 1.00 5.00 C +ATOM 135 C GLY A 45 11.932 9.064 3.551 1.00 5.00 C +ATOM 136 N GLY A 46 11.779 8.659 4.819 1.00 5.00 N +ATOM 137 CA GLY A 46 10.628 9.093 5.605 1.00 5.00 C +ATOM 138 C GLY A 46 11.084 9.806 6.892 1.00 5.00 C +ATOM 139 N GLY A 47 11.068 11.145 6.847 1.00 5.00 N +ATOM 140 CA GLY A 47 11.484 11.956 7.987 1.00 5.00 C +ATOM 141 C GLY A 47 10.320 12.836 8.481 1.00 5.00 C +ATOM 142 N GLY A 48 10.248 13.018 9.806 1.00 5.00 N +ATOM 143 CA GLY A 48 9.192 13.820 10.416 1.00 5.00 C +ATOM 144 C GLY A 48 9.688 15.246 10.717 1.00 5.00 C +ATOM 145 N GLY A 49 10.616 15.745 9.889 1.00 5.00 N +ATOM 146 CA GLY A 49 11.134 17.099 10.068 1.00 5.00 C +ATOM 147 C GLY A 49 10.647 18.027 8.940 1.00 5.00 C +ATOM 148 N GLY A 50 9.956 19.110 9.319 1.00 5.00 N +ATOM 149 CA GLY A 50 9.436 20.087 8.367 1.00 5.00 C +ATOM 150 C GLY A 50 10.561 20.778 7.575 1.00 5.00 C +ATOM 151 N GLY A 51 11.510 21.387 8.299 1.00 5.00 N +ATOM 152 CA GLY A 51 12.632 22.085 7.680 1.00 5.00 C +ATOM 153 C GLY A 51 13.961 21.375 7.995 1.00 5.00 C +ATOM 154 N GLY A 52 14.776 21.145 6.956 1.00 5.00 N +ATOM 155 CA GLY A 52 16.080 20.511 7.127 1.00 5.00 C +ATOM 156 C GLY A 52 16.916 20.632 5.839 1.00 5.00 C +ATOM 157 N GLY A 53 16.737 21.744 5.113 1.00 5.00 N +ATOM 158 CA GLY A 53 17.475 21.966 3.874 1.00 5.00 C +ATOM 159 C GLY A 53 18.818 22.661 4.165 1.00 5.00 C +ATOM 160 N GLY A 54 19.925 21.929 3.977 1.00 5.00 N +ATOM 161 CA GLY A 54 21.253 22.480 4.225 1.00 5.00 C +ATOM 162 C GLY A 54 21.421 22.919 5.692 1.00 5.00 C +ATOM 163 N GLY A 55 20.753 22.194 6.600 1.00 5.00 N +ATOM 164 CA GLY A 55 20.845 22.488 8.027 1.00 5.00 C +ATOM 165 C GLY A 55 20.957 21.197 8.858 1.00 5.00 C +ATOM 166 N GLY A 56 21.892 21.191 9.818 1.00 5.00 N +ATOM 167 CA GLY A 56 22.103 20.019 10.663 1.00 5.00 C +ATOM 168 C GLY A 56 23.592 19.782 10.972 1.00 5.00 C +ATOM 169 N GLY A 57 23.873 18.943 11.978 1.00 5.00 N +ATOM 170 CA GLY A 57 25.245 18.633 12.369 1.00 5.00 C +ATOM 171 C GLY A 57 25.702 17.335 11.679 1.00 5.00 C +ATOM 172 N GLY A 58 24.979 16.954 10.617 1.00 5.00 N +ATOM 173 CA GLY A 58 25.300 15.728 9.892 1.00 5.00 C +ATOM 174 C GLY A 58 24.093 15.113 9.160 1.00 5.00 C +ATOM 175 N GLY A 59 23.187 14.488 9.923 1.00 5.00 N +ATOM 176 CA GLY A 59 22.011 13.871 9.316 1.00 5.00 C +ATOM 177 C GLY A 59 21.059 13.312 10.390 1.00 5.00 C +ATOM 178 N GLY A 60 19.772 13.675 10.296 1.00 5.00 N +ATOM 179 CA GLY A 60 18.790 13.195 11.264 1.00 5.00 C +ATOM 180 C GLY A 60 18.439 11.711 11.051 1.00 5.00 C +ATOM 181 N GLY A 61 17.889 11.069 12.091 1.00 5.00 N +ATOM 182 CA GLY A 61 17.523 9.658 12.024 1.00 5.00 C +ATOM 183 C GLY A 61 16.242 9.443 11.197 1.00 5.00 C +ATOM 184 N GLY A 62 16.385 8.810 10.025 1.00 5.00 N +ATOM 185 CA GLY A 62 15.243 8.557 9.151 1.00 5.00 C +ATOM 186 C GLY A 62 14.302 7.510 9.775 1.00 5.00 C +ATOM 187 N GLY A 63 12.987 7.714 9.622 1.00 5.00 N +ATOM 188 CA GLY A 63 11.990 6.800 10.171 1.00 5.00 C +ATOM 189 C GLY A 63 11.572 5.757 9.118 1.00 5.00 C +ATOM 190 N GLY A 64 12.565 5.183 8.425 1.00 5.00 N +ATOM 191 CA GLY A 64 12.289 4.175 7.406 1.00 5.00 C +ATOM 192 C GLY A 64 12.017 4.790 6.020 1.00 5.00 C +ATOM 193 N GLY A 65 11.704 3.923 5.047 1.00 5.00 N +ATOM 194 CA GLY A 65 11.435 4.383 3.688 1.00 5.00 C +ATOM 195 C GLY A 65 9.981 4.095 3.271 1.00 5.00 C +ATOM 196 N GLY A 66 9.485 4.830 2.266 1.00 5.00 N +ATOM 197 CA GLY A 66 8.121 4.650 1.777 1.00 5.00 C +ATOM 198 C GLY A 66 8.033 4.667 0.239 1.00 5.00 C +ATOM 199 N GLY A 67 6.846 4.323 -0.278 1.00 5.00 N +ATOM 200 CA GLY A 67 6.613 4.274 -1.718 1.00 5.00 C +ATOM 201 C GLY A 67 5.520 5.272 -2.144 1.00 5.00 C +ATOM 202 N GLY A 68 5.970 6.377 -2.755 1.00 5.00 N +ATOM 203 CA GLY A 68 5.061 7.433 -3.190 1.00 5.00 C +ATOM 204 C GLY A 68 4.004 6.913 -4.183 1.00 5.00 C +ATOM 205 N GLY A 69 2.733 7.240 -3.910 1.00 5.00 N +ATOM 206 CA GLY A 69 1.632 6.793 -4.758 1.00 5.00 C +ATOM 207 C GLY A 69 0.788 7.999 -5.208 1.00 5.00 C +ATOM 208 N GLY A 70 0.002 7.776 -6.269 1.00 5.00 N +ATOM 209 CA GLY A 70 -0.842 8.825 -6.834 1.00 5.00 C +ATOM 210 C GLY A 70 -2.285 8.314 -7.003 1.00 5.00 C +ATOM 211 N GLY A 71 -3.261 9.224 -7.121 1.00 5.00 N +ATOM 212 CA GLY A 71 -4.661 8.846 -7.288 1.00 5.00 C +ATOM 213 C GLY A 71 -4.873 7.920 -8.500 1.00 5.00 C +ATOM 214 N GLY A 72 -5.273 6.675 -8.210 1.00 5.00 N +ATOM 215 CA GLY A 72 -5.523 5.712 -9.279 1.00 5.00 C +ATOM 216 C GLY A 72 -4.363 4.717 -9.477 1.00 5.00 C +ATOM 217 N GLY A 73 -3.621 4.434 -8.398 1.00 5.00 N +ATOM 218 CA GLY A 73 -2.491 3.512 -8.465 1.00 5.00 C +ATOM 219 C GLY A 73 -2.792 2.193 -7.728 1.00 5.00 C +ATOM 220 N GLY A 74 -2.680 1.071 -8.452 1.00 5.00 N +ATOM 221 CA GLY A 74 -2.931 -0.251 -7.886 1.00 5.00 C +ATOM 222 C GLY A 74 -1.706 -0.762 -7.104 1.00 5.00 C +ATOM 223 N GLY A 75 -1.802 -0.736 -5.768 1.00 5.00 N +ATOM 224 CA GLY A 75 -0.715 -1.175 -4.898 1.00 5.00 C +ATOM 225 C GLY A 75 -0.816 -2.682 -4.596 1.00 5.00 C +ATOM 226 N GLY A 76 -2.010 -3.268 -4.759 1.00 5.00 N +ATOM 227 CA GLY A 76 -2.191 -4.690 -4.482 1.00 5.00 C +ATOM 228 C GLY A 76 -3.129 -5.354 -5.507 1.00 5.00 C +ATOM 229 N GLY A 77 -3.066 -6.691 -5.567 1.00 5.00 N +ATOM 230 CA GLY A 77 -3.902 -7.472 -6.474 1.00 5.00 C +ATOM 231 C GLY A 77 -3.845 -8.960 -6.083 1.00 5.00 C +ATOM 232 N GLY A 78 -5.008 -9.535 -5.748 1.00 5.00 N +ATOM 233 CA GLY A 78 -5.106 -10.935 -5.346 1.00 5.00 C +ATOM 234 C GLY A 78 -5.750 -11.799 -6.447 1.00 5.00 C +ATOM 235 N GLY A 79 -5.662 -13.125 -6.276 1.00 5.00 N +ATOM 236 CA GLY A 79 -6.241 -14.038 -7.257 1.00 5.00 C +ATOM 237 C GLY A 79 -6.502 -15.429 -6.651 1.00 5.00 C +ATOM 238 N GLY A 80 -7.626 -16.047 -7.037 1.00 5.00 N +ATOM 239 CA GLY A 80 -7.976 -17.376 -6.543 1.00 5.00 C +ATOM 240 C GLY A 80 -9.002 -17.348 -5.395 1.00 5.00 C +ATOM 241 N GLY A 81 -8.894 -16.348 -4.511 1.00 5.00 N +ATOM 242 CA GLY A 81 -9.812 -16.209 -3.384 1.00 5.00 C +ATOM 243 C GLY A 81 -11.178 -15.669 -3.846 1.00 5.00 C +ATOM 244 N GLY A 82 -12.216 -15.859 -3.020 1.00 5.00 N +ATOM 245 CA GLY A 82 -13.555 -15.374 -3.344 1.00 5.00 C +ATOM 246 C GLY A 82 -13.608 -13.837 -3.268 1.00 5.00 C +ATOM 247 N GLY A 83 -14.668 -13.243 -3.832 1.00 5.00 N +ATOM 248 CA GLY A 83 -14.822 -11.791 -3.828 1.00 5.00 C +ATOM 249 C GLY A 83 -14.843 -11.246 -2.388 1.00 5.00 C +ATOM 250 N GLY A 84 -15.571 -11.942 -1.504 1.00 5.00 N +ATOM 251 CA GLY A 84 -15.680 -11.528 -0.108 1.00 5.00 C +ATOM 252 C GLY A 84 -14.306 -11.593 0.586 1.00 5.00 C +ATOM 253 N GLY A 85 -13.562 -12.679 0.338 1.00 5.00 N +ATOM 254 CA GLY A 85 -12.243 -12.862 0.937 1.00 5.00 C +ATOM 255 C GLY A 85 -11.212 -11.966 0.226 1.00 5.00 C +ATOM 256 N GLY A 86 -11.350 -11.842 -1.102 1.00 5.00 N +ATOM 257 CA GLY A 86 -10.442 -11.026 -1.902 1.00 5.00 C +ATOM 258 C GLY A 86 -10.650 -9.518 -1.667 1.00 5.00 C +ATOM 259 N GLY A 87 -11.909 -9.062 -1.715 1.00 5.00 N +ATOM 260 CA GLY A 87 -12.207 -7.648 -1.507 1.00 5.00 C +ATOM 261 C GLY A 87 -11.785 -7.219 -0.089 1.00 5.00 C +ATOM 262 N GLY A 88 -12.101 -8.058 0.906 1.00 5.00 N +ATOM 263 CA GLY A 88 -11.742 -7.755 2.289 1.00 5.00 C +ATOM 264 C GLY A 88 -10.215 -7.785 2.488 1.00 5.00 C +ATOM 265 N GLY A 89 -9.572 -8.852 1.995 1.00 5.00 N +ATOM 266 CA GLY A 89 -8.123 -8.989 2.115 1.00 5.00 C +ATOM 267 C GLY A 89 -7.410 -7.767 1.506 1.00 5.00 C +ATOM 268 N GLY A 90 -7.798 -7.379 0.284 1.00 5.00 N +ATOM 269 CA GLY A 90 -7.204 -6.229 -0.393 1.00 5.00 C +ATOM 270 C GLY A 90 -7.391 -4.953 0.450 1.00 5.00 C +ATOM 271 N GLY A 91 -8.507 -4.913 1.190 1.00 5.00 N +ATOM 272 CA GLY A 91 -8.802 -3.771 2.051 1.00 5.00 C +ATOM 273 C GLY A 91 -7.916 -3.786 3.311 1.00 5.00 C +ATOM 274 N GLY A 92 -7.671 -4.978 3.872 1.00 5.00 N +ATOM 275 CA GLY A 92 -6.842 -5.106 5.066 1.00 5.00 C +ATOM 276 C GLY A 92 -5.470 -4.446 4.837 1.00 5.00 C +ATOM 277 N GLY A 93 -4.922 -4.591 3.623 1.00 5.00 N +ATOM 278 CA GLY A 93 -3.629 -4.003 3.285 1.00 5.00 C +ATOM 279 C GLY A 93 -3.683 -2.465 3.239 1.00 5.00 C +ATOM 280 N GLY A 94 -4.706 -1.926 2.561 1.00 5.00 N +ATOM 281 CA GLY A 94 -4.864 -0.477 2.468 1.00 5.00 C +ATOM 282 C GLY A 94 -5.358 0.127 3.795 1.00 5.00 C +ATOM 283 N GLY A 95 -5.968 -0.717 4.638 1.00 5.00 N +ATOM 284 CA GLY A 95 -6.488 -0.250 5.920 1.00 5.00 C +ATOM 285 C GLY A 95 -5.369 0.341 6.798 1.00 5.00 C +ATOM 286 N GLY A 96 -4.195 -0.306 6.792 1.00 5.00 N +ATOM 287 CA GLY A 96 -3.058 0.153 7.584 1.00 5.00 C +ATOM 288 C GLY A 96 -2.197 1.149 6.785 1.00 5.00 C +ATOM 289 N GLY A 97 -2.651 1.505 5.576 1.00 5.00 N +ATOM 290 CA GLY A 97 -1.923 2.449 4.734 1.00 5.00 C +ATOM 291 C GLY A 97 -2.257 3.904 5.112 1.00 5.00 C +ATOM 292 N GLY A 98 -1.373 4.856 4.785 1.00 5.00 N +ATOM 293 CA GLY A 98 -1.582 6.269 5.086 1.00 5.00 C +ATOM 294 C GLY A 98 -2.369 6.981 3.970 1.00 5.00 C +ATOM 295 N GLY A 99 -3.018 6.191 3.105 1.00 5.00 N +ATOM 296 CA GLY A 99 -3.783 6.763 2.001 1.00 5.00 C +ATOM 297 C GLY A 99 -5.000 5.879 1.668 1.00 5.00 C +ATOM 298 N GLY A 100 -5.923 6.426 0.865 1.00 5.00 N +ATOM 299 CA GLY A 100 -7.129 5.707 0.467 1.00 5.00 C +ATOM 300 C GLY A 100 -6.828 4.734 -0.688 1.00 5.00 C +ATOM 301 N GLY A 101 -7.432 3.540 -0.623 1.00 5.00 N +ATOM 302 CA GLY A 101 -7.239 2.533 -1.663 1.00 5.00 C +ATOM 303 C GLY A 101 -8.565 1.795 -1.929 1.00 5.00 C +ATOM 304 N GLY A 102 -8.773 1.376 -3.184 1.00 5.00 N +ATOM 305 CA GLY A 102 -9.998 0.660 -3.528 1.00 5.00 C +ATOM 306 C GLY A 102 -9.670 -0.636 -4.293 1.00 5.00 C +ATOM 307 N GLY A 103 -10.640 -1.560 -4.281 1.00 5.00 N +ATOM 308 CA GLY A 103 -10.475 -2.836 -4.970 1.00 5.00 C +ATOM 309 C GLY A 103 -10.950 -2.737 -6.431 1.00 5.00 C +ATOM 310 N GLY A 104 -10.166 -3.324 -7.346 1.00 5.00 N +ATOM 311 CA GLY A 104 -10.497 -3.311 -8.768 1.00 5.00 C +ATOM 312 C GLY A 104 -10.008 -4.601 -9.452 1.00 5.00 C +ATOM 313 N GLY A 105 -10.816 -5.112 -10.392 1.00 5.00 N +ATOM 314 CA GLY A 105 -10.453 -6.314 -11.136 1.00 5.00 C +ATOM 315 C GLY A 105 -9.398 -5.968 -12.203 1.00 5.00 C +ATOM 316 N GLY A 106 -8.771 -7.026 -12.736 1.00 5.00 N +ATOM 317 CA GLY A 106 -7.752 -6.851 -13.768 1.00 5.00 C +ATOM 318 C GLY A 106 -8.246 -5.857 -14.835 1.00 5.00 C +ATOM 319 N GLY A 107 -7.943 -4.572 -14.606 1.00 5.00 N +ATOM 320 CA GLY A 107 -8.358 -3.502 -15.509 1.00 5.00 C +ATOM 321 C GLY A 107 -9.889 -3.339 -15.474 1.00 5.00 C +ATOM 322 N GLY A 108 -10.440 -3.358 -14.253 1.00 5.00 N +ATOM 323 CA GLY A 108 -11.879 -3.217 -14.052 1.00 5.00 C +ATOM 324 C GLY A 108 -12.189 -1.907 -13.303 1.00 5.00 C +ATOM 325 N GLY A 109 -12.481 -0.847 -14.068 1.00 5.00 N +ATOM 326 CA GLY A 109 -12.769 0.452 -13.466 1.00 5.00 C +ATOM 327 C GLY A 109 -14.107 1.047 -13.943 1.00 5.00 C CONECT 3 4 CONECT 4 3 CONECT 6 7 @@ -361,3 +469,75 @@ CONECT 213 214 CONECT 214 213 CONECT 216 217 CONECT 217 216 +CONECT 219 220 +CONECT 220 219 +CONECT 222 223 +CONECT 223 222 +CONECT 225 226 +CONECT 226 225 +CONECT 228 229 +CONECT 229 228 +CONECT 231 232 +CONECT 232 231 +CONECT 234 235 +CONECT 235 234 +CONECT 237 238 +CONECT 238 237 +CONECT 240 241 +CONECT 241 240 +CONECT 243 244 +CONECT 244 243 +CONECT 246 247 +CONECT 247 246 +CONECT 249 250 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