{ "run_id": "phase1-rehearsal-2026-05-13-simplefold-100m-3targets", "paper_doi": "10.48550/arXiv.2509.18480", "paper_title": "Phase 1 technical rehearsal for Apple Silicon viability benchmark", "model_name": "simplefold-100m", "apple_silicon_path": "native_mlx", "recipe": { "paper_doi": "10.48550/arXiv.2509.18480", "paper_title": "Phase 1 technical rehearsal for Apple Silicon viability benchmark", "paper_year": 2026, "headline_metric": { "name": "engineering_rehearsal_median_lddt", "value": 0.5, "tolerance_pct": 100, "units": "lDDT" }, "data_sources": [ "pilot/data/test_set_v1_candidates.csv", "RCSB PDB reference structures" ], "models": [ { "name": "simplefold-100m", "code_url": "https://github.com/apple/ml-simplefold", "apple_silicon_path": "native_mlx" } ], "evaluation_set": [ "9PFE:A", "13CZ:A", "13BB:A" ], "evaluation_metric": "lDDT", "quotes": [ { "field": "fixture_scope", "text": "ENGINEERING_REHEARSAL_NOT_PAPER_CLAIM: this recipe exercises the Phase 1 target path on one short, one mid, and one long candidate chain. It is not the final benchmark and must not be reported as a Phase 1 result." }, { "field": "target_source", "text": "Targets are selected from pilot/data/test_set_v1_candidates.csv generated from RCSB Search and Data APIs on 2026-05-13." } ] }, "predictions": [ { "target_pdb_id": "9PFE:A", "model": "simplefold-100m", "predicted_pdb_text": "ATOM 1 N MET A 1 9.934 9.286 -14.207 1.00 79.47 N \nATOM 2 CA MET A 1 9.680 9.131 -12.802 1.00 79.47 C \nATOM 3 C MET A 1 10.510 7.972 -12.219 1.00 79.47 C \nATOM 4 O MET A 1 10.650 6.941 -12.915 1.00 79.47 O \nATOM 5 CB MET A 1 8.153 8.763 -12.683 1.00 79.47 C \nATOM 6 CG MET A 1 7.640 8.474 -11.263 1.00 79.47 C \nATOM 7 SD MET A 1 5.858 8.328 -11.122 1.00 79.47 S \nATOM 8 CE MET A 1 5.473 6.868 -11.604 1.00 79.47 C \nATOM 9 N PRO A 2 11.104 8.159 -10.952 1.00 90.08 N \nATOM 10 CA PRO A 2 11.970 7.086 -10.473 1.00 90.08 C \nATOM 11 C PRO A 2 11.148 5.900 -9.963 1.00 90.08 C \nATOM 12 O PRO A 2 9.981 6.081 -9.643 1.00 90.08 O \nATOM 13 CB PRO A 2 12.700 7.788 -9.328 1.00 90.08 C \nATOM 14 CG PRO A 2 11.817 8.902 -8.934 1.00 90.08 C \nATOM 15 CD PRO A 2 11.070 9.304 -10.063 1.00 90.08 C \nATOM 16 N GLN A 3 11.776 4.763 -9.935 1.00 92.16 N \nATOM 17 CA GLN A 3 11.122 3.576 -9.407 1.00 92.16 C \nATOM 18 C GLN A 3 10.933 3.743 -7.904 1.00 92.16 C \nATOM 19 O GLN A 3 11.853 4.133 -7.177 1.00 92.16 O \nATOM 20 CB GLN A 3 11.945 2.332 -9.719 1.00 92.16 C \nATOM 21 CG GLN A 3 11.176 1.078 -9.431 1.00 92.16 C \nATOM 22 CD GLN A 3 11.944 -0.172 -9.950 1.00 92.16 C \nATOM 23 OE1 GLN A 3 13.168 -0.182 -10.238 1.00 92.16 O \nATOM 24 NE2 GLN A 3 11.198 -1.241 -10.058 1.00 92.16 N \nATOM 25 N VAL A 4 9.642 3.502 -7.406 1.00 95.13 N \nATOM 26 CA VAL A 4 9.333 3.651 -5.989 1.00 95.13 C \nATOM 27 C VAL A 4 8.641 2.398 -5.493 1.00 95.13 C \nATOM 28 O VAL A 4 7.711 1.904 -6.166 1.00 95.13 O \nATOM 29 CB VAL A 4 8.441 4.873 -5.719 1.00 95.13 C \nATOM 30 CG1 VAL A 4 8.033 4.942 -4.229 1.00 95.13 C \nATOM 31 CG2 VAL A 4 9.143 6.158 -6.175 1.00 95.13 C \nATOM 32 N ASP A 5 9.070 1.925 -4.361 1.00 95.69 N \nATOM 33 CA ASP A 5 8.428 0.765 -3.756 1.00 95.69 C \nATOM 34 C ASP A 5 7.188 1.219 -3.015 1.00 95.69 C \nATOM 35 O ASP A 5 7.228 1.564 -1.852 1.00 95.69 O \nATOM 36 CB ASP A 5 9.407 0.025 -2.815 1.00 95.69 C \nATOM 37 CG ASP A 5 8.833 -1.293 -2.302 1.00 95.69 C \nATOM 38 OD1 ASP A 5 7.655 -1.596 -2.516 1.00 95.69 O \nATOM 39 OD2 ASP A 5 9.647 -2.040 -1.664 1.00 95.69 O \nATOM 40 N VAL A 6 6.054 1.240 -3.712 1.00 97.54 N \nATOM 41 CA VAL A 6 4.796 1.720 -3.161 1.00 97.54 C \nATOM 42 C VAL A 6 4.343 0.861 -1.963 1.00 97.54 C \nATOM 43 O VAL A 6 3.787 1.394 -0.986 1.00 97.54 O \nATOM 44 CB VAL A 6 3.701 1.714 -4.248 1.00 97.54 C \nATOM 45 CG1 VAL A 6 2.365 2.166 -3.673 1.00 97.54 C \nATOM 46 CG2 VAL A 6 4.145 2.669 -5.357 1.00 97.54 C \nATOM 47 N TRP A 7 4.554 -0.435 -2.038 1.00 97.57 N \nATOM 48 CA TRP A 7 4.172 -1.308 -0.948 1.00 97.57 C \nATOM 49 C TRP A 7 4.820 -0.876 0.344 1.00 97.57 C \nATOM 50 O TRP A 7 4.192 -0.850 1.380 1.00 97.57 O \nATOM 51 CB TRP A 7 4.478 -2.758 -1.283 1.00 97.57 C \nATOM 52 CG TRP A 7 3.735 -3.304 -2.437 1.00 97.57 C \nATOM 53 CD1 TRP A 7 4.267 -3.791 -3.606 1.00 97.57 C \nATOM 54 CD2 TRP A 7 2.370 -3.414 -2.660 1.00 97.57 C \nATOM 55 NE1 TRP A 7 3.308 -4.180 -4.447 1.00 97.57 N \nATOM 56 CE2 TRP A 7 2.088 -3.968 -3.883 1.00 97.57 C \nATOM 57 CE3 TRP A 7 1.262 -3.064 -1.863 1.00 97.57 C \nATOM 58 CZ2 TRP A 7 0.823 -4.169 -4.301 1.00 97.57 C \nATOM 59 CZ3 TRP A 7 0.050 -3.331 -2.355 1.00 97.57 C \nATOM 60 CH2 TRP A 7 -0.182 -3.884 -3.547 1.00 97.57 C \nATOM 61 N GLU A 8 6.095 -0.561 0.353 1.00 97.05 N \nATOM 62 CA GLU A 8 6.803 -0.115 1.534 1.00 97.05 C \nATOM 63 C GLU A 8 6.209 1.197 2.064 1.00 97.05 C \nATOM 64 O GLU A 8 6.049 1.375 3.252 1.00 97.05 O \nATOM 65 CB GLU A 8 8.300 0.055 1.297 1.00 97.05 C \nATOM 66 CG GLU A 8 9.025 -1.277 1.112 1.00 97.05 C \nATOM 67 CD GLU A 8 9.096 -2.101 2.316 1.00 97.05 C \nATOM 68 OE1 GLU A 8 9.259 -1.520 3.420 1.00 97.05 O \nATOM 69 OE2 GLU A 8 8.962 -3.335 2.257 1.00 97.05 O \nATOM 70 N LEU A 9 5.829 2.081 1.144 1.00 97.57 N \nATOM 71 CA LEU A 9 5.235 3.356 1.536 1.00 97.57 C \nATOM 72 C LEU A 9 3.882 3.122 2.176 1.00 97.57 C \nATOM 73 O LEU A 9 3.545 3.740 3.205 1.00 97.57 O \nATOM 74 CB LEU A 9 5.046 4.259 0.339 1.00 97.57 C \nATOM 75 CG LEU A 9 6.381 4.792 -0.319 1.00 97.57 C \nATOM 76 CD1 LEU A 9 6.098 5.526 -1.645 1.00 97.57 C \nATOM 77 CD2 LEU A 9 7.157 5.643 0.686 1.00 97.57 C \nATOM 78 N LEU A 10 3.087 2.252 1.598 1.00 97.63 N \nATOM 79 CA LEU A 10 1.759 1.962 2.136 1.00 97.63 C \nATOM 80 C LEU A 10 1.840 1.249 3.480 1.00 97.63 C \nATOM 81 O LEU A 10 1.037 1.511 4.384 1.00 97.63 O \nATOM 82 CB LEU A 10 0.966 1.125 1.115 1.00 97.63 C \nATOM 83 CG LEU A 10 0.514 1.899 -0.174 1.00 97.63 C \nATOM 84 CD1 LEU A 10 -0.055 0.986 -1.196 1.00 97.63 C \nATOM 85 CD2 LEU A 10 -0.497 2.977 0.188 1.00 97.63 C \nATOM 86 N LYS A 11 2.824 0.390 3.656 1.00 96.77 N \nATOM 87 CA LYS A 11 3.010 -0.282 4.963 1.00 96.77 C \nATOM 88 C LYS A 11 3.249 0.719 6.061 1.00 96.77 C \nATOM 89 O LYS A 11 2.837 0.485 7.212 1.00 96.77 O \nATOM 90 CB LYS A 11 4.168 -1.261 4.929 1.00 96.77 C \nATOM 91 CG LYS A 11 3.847 -2.538 4.164 1.00 96.77 C \nATOM 92 CD LYS A 11 5.025 -3.388 3.941 1.00 96.77 C \nATOM 93 CE LYS A 11 5.719 -4.014 5.113 1.00 96.77 C \nATOM 94 NZ LYS A 11 6.905 -4.819 4.784 1.00 96.77 N \nATOM 95 N ASN A 12 3.915 1.787 5.775 1.00 96.47 N \nATOM 96 CA ASN A 12 4.265 2.797 6.770 1.00 96.47 C \nATOM 97 C ASN A 12 3.210 3.876 6.865 1.00 96.47 C \nATOM 98 O ASN A 12 3.293 4.721 7.782 1.00 96.47 O \nATOM 99 CB ASN A 12 5.617 3.395 6.445 1.00 96.47 C \nATOM 100 CG ASN A 12 6.756 2.387 6.550 1.00 96.47 C \nATOM 101 OD1 ASN A 12 6.709 1.504 7.470 1.00 96.47 O \nATOM 102 ND2 ASN A 12 7.746 2.510 5.684 1.00 96.47 N \nATOM 103 N ALA A 13 2.205 3.915 5.955 1.00 97.29 N \nATOM 104 CA ALA A 13 1.184 4.944 5.964 1.00 97.29 C \nATOM 105 C ALA A 13 -0.021 4.474 6.721 1.00 97.29 C \nATOM 106 O ALA A 13 -0.319 3.297 6.807 1.00 97.29 O \nATOM 107 CB ALA A 13 0.811 5.308 4.532 1.00 97.29 C \nATOM 108 N LYS A 14 -0.794 5.461 7.249 1.00 97.07 N \nATOM 109 CA LYS A 14 -2.076 5.173 7.898 1.00 97.07 C \nATOM 110 C LYS A 14 -3.112 4.763 6.873 1.00 97.07 C \nATOM 111 O LYS A 14 -3.052 5.216 5.736 1.00 97.07 O \nATOM 112 CB LYS A 14 -2.546 6.403 8.653 1.00 97.07 C \nATOM 113 CG LYS A 14 -1.639 6.776 9.807 1.00 97.07 C \nATOM 114 CD LYS A 14 -2.116 8.071 10.448 1.00 97.07 C \nATOM 115 CE LYS A 14 -1.194 8.474 11.628 1.00 97.07 C \nATOM 116 NZ LYS A 14 -1.666 9.706 12.342 1.00 97.07 N \nATOM 117 N PRO A 15 -4.096 3.926 7.183 1.00 94.79 N \nATOM 118 CA PRO A 15 -5.131 3.504 6.239 1.00 94.79 C \nATOM 119 C PRO A 15 -5.874 4.693 5.595 1.00 94.79 C \nATOM 120 O PRO A 15 -6.274 4.613 4.469 1.00 94.79 O \nATOM 121 CB PRO A 15 -6.106 2.642 7.066 1.00 94.79 C \nATOM 122 CG PRO A 15 -5.280 2.126 8.205 1.00 94.79 C \nATOM 123 CD PRO A 15 -4.267 3.211 8.536 1.00 94.79 C \nATOM 124 N SER A 16 -6.040 5.793 6.262 1.00 96.45 N \nATOM 125 CA SER A 16 -6.690 6.975 5.729 1.00 96.45 C \nATOM 126 C SER A 16 -5.869 7.599 4.633 1.00 96.45 C \nATOM 127 O SER A 16 -6.422 8.367 3.809 1.00 96.45 O \nATOM 128 CB SER A 16 -6.965 7.980 6.786 1.00 96.45 C \nATOM 129 OG SER A 16 -5.743 8.412 7.422 1.00 96.45 O \nATOM 130 N GLU A 17 -4.550 7.344 4.563 1.00 97.84 N \nATOM 131 CA GLU A 17 -3.674 7.926 3.552 1.00 97.84 C \nATOM 132 C GLU A 17 -3.515 7.020 2.323 1.00 97.84 C \nATOM 133 O GLU A 17 -2.946 7.463 1.294 1.00 97.84 O \nATOM 134 CB GLU A 17 -2.311 8.187 4.162 1.00 97.84 C \nATOM 135 CG GLU A 17 -2.386 9.257 5.234 1.00 97.84 C \nATOM 136 CD GLU A 17 -1.032 9.500 5.938 1.00 97.84 C \nATOM 137 OE1 GLU A 17 -0.013 8.753 5.687 1.00 97.84 O \nATOM 138 OE2 GLU A 17 -0.940 10.503 6.736 1.00 97.84 O \nATOM 139 N TYR A 18 -3.938 5.760 2.395 1.00 98.18 N \nATOM 140 CA TYR A 18 -3.740 4.806 1.299 1.00 98.18 C \nATOM 141 C TYR A 18 -4.321 5.338 -0.011 1.00 98.18 C \nATOM 142 O TYR A 18 -3.668 5.248 -1.061 1.00 98.18 O \nATOM 143 CB TYR A 18 -4.409 3.477 1.625 1.00 98.18 C \nATOM 144 CG TYR A 18 -3.716 2.641 2.635 1.00 98.18 C \nATOM 145 CD1 TYR A 18 -2.549 3.126 3.359 1.00 98.18 C \nATOM 146 CD2 TYR A 18 -4.095 1.360 2.920 1.00 98.18 C \nATOM 147 CE1 TYR A 18 -1.908 2.355 4.302 1.00 98.18 C \nATOM 148 CE2 TYR A 18 -3.437 0.532 3.879 1.00 98.18 C \nATOM 149 CZ TYR A 18 -2.343 1.052 4.593 1.00 98.18 C \nATOM 150 OH TYR A 18 -1.716 0.318 5.481 1.00 98.18 O \nATOM 151 N GLU A 19 -5.516 5.842 0.035 1.00 97.30 N \nATOM 152 CA GLU A 19 -6.170 6.327 -1.161 1.00 97.30 C \nATOM 153 C GLU A 19 -5.382 7.486 -1.758 1.00 97.30 C \nATOM 154 O GLU A 19 -5.200 7.581 -3.015 1.00 97.30 O \nATOM 155 CB GLU A 19 -7.617 6.779 -0.898 1.00 97.30 C \nATOM 156 CG GLU A 19 -8.381 7.143 -2.137 1.00 97.30 C \nATOM 157 CD GLU A 19 -9.858 7.466 -1.877 1.00 97.30 C \nATOM 158 OE1 GLU A 19 -10.269 7.392 -0.683 1.00 97.30 O \nATOM 159 OE2 GLU A 19 -10.574 7.797 -2.841 1.00 97.30 O \nATOM 160 N LYS A 20 -4.897 8.395 -0.959 1.00 97.92 N \nATOM 161 CA LYS A 20 -4.078 9.534 -1.394 1.00 97.92 C \nATOM 162 C LYS A 20 -2.801 9.044 -2.079 1.00 97.92 C \nATOM 163 O LYS A 20 -2.447 9.496 -3.166 1.00 97.92 O \nATOM 164 CB LYS A 20 -3.755 10.439 -0.219 1.00 97.92 C \nATOM 165 CG LYS A 20 -3.253 11.739 -0.600 1.00 97.92 C \nATOM 166 CD LYS A 20 -3.058 12.593 0.692 1.00 97.92 C \nATOM 167 CE LYS A 20 -3.168 14.083 0.555 1.00 97.92 C \nATOM 168 NZ LYS A 20 -3.021 14.869 1.749 1.00 97.92 N \nATOM 169 N ILE A 21 -2.102 8.128 -1.480 1.00 98.03 N \nATOM 170 CA ILE A 21 -0.851 7.565 -2.023 1.00 98.03 C \nATOM 171 C ILE A 21 -1.126 6.813 -3.330 1.00 98.03 C \nATOM 172 O ILE A 21 -0.425 6.984 -4.341 1.00 98.03 O \nATOM 173 CB ILE A 21 -0.175 6.626 -1.006 1.00 98.03 C \nATOM 174 CG1 ILE A 21 0.308 7.470 0.194 1.00 98.03 C \nATOM 175 CG2 ILE A 21 0.984 5.881 -1.612 1.00 98.03 C \nATOM 176 CD1 ILE A 21 0.787 6.640 1.382 1.00 98.03 C \nATOM 177 N ALA A 22 -2.172 6.018 -3.349 1.00 97.73 N \nATOM 178 CA ALA A 22 -2.538 5.258 -4.528 1.00 97.73 C \nATOM 179 C ALA A 22 -2.840 6.203 -5.678 1.00 97.73 C \nATOM 180 O ALA A 22 -2.399 5.957 -6.824 1.00 97.73 O \nATOM 181 CB ALA A 22 -3.678 4.371 -4.245 1.00 97.73 C \nATOM 182 N PHE A 23 -3.605 7.285 -5.420 1.00 97.77 N \nATOM 183 CA PHE A 23 -3.938 8.263 -6.441 1.00 97.77 C \nATOM 184 C PHE A 23 -2.676 8.913 -6.992 1.00 97.77 C \nATOM 185 O PHE A 23 -2.528 9.088 -8.179 1.00 97.77 O \nATOM 186 CB PHE A 23 -4.899 9.327 -5.909 1.00 97.77 C \nATOM 187 CG PHE A 23 -5.320 10.348 -6.847 1.00 97.77 C \nATOM 188 CD1 PHE A 23 -6.235 10.081 -7.819 1.00 97.77 C \nATOM 189 CD2 PHE A 23 -4.821 11.607 -6.815 1.00 97.77 C \nATOM 190 CE1 PHE A 23 -6.606 11.036 -8.710 1.00 97.77 C \nATOM 191 CE2 PHE A 23 -5.177 12.540 -7.654 1.00 97.77 C \nATOM 192 CZ PHE A 23 -6.063 12.267 -8.640 1.00 97.77 C \nATOM 193 N GLN A 24 -1.771 9.296 -6.112 1.00 96.55 N \nATOM 194 CA GLN A 24 -0.519 9.933 -6.491 1.00 96.55 C \nATOM 195 C GLN A 24 0.302 9.067 -7.473 1.00 96.55 C \nATOM 196 O GLN A 24 0.936 9.531 -8.398 1.00 96.55 O \nATOM 197 CB GLN A 24 0.304 10.215 -5.232 1.00 96.55 C \nATOM 198 CG GLN A 24 1.637 10.954 -5.492 1.00 96.55 C \nATOM 199 CD GLN A 24 2.418 11.232 -4.207 1.00 96.55 C \nATOM 200 OE1 GLN A 24 1.925 11.165 -3.051 1.00 96.55 O \nATOM 201 NE2 GLN A 24 3.677 11.576 -4.383 1.00 96.55 N \nATOM 202 N TYR A 25 0.281 7.743 -7.237 1.00 96.62 N \nATOM 203 CA TYR A 25 1.039 6.798 -8.071 1.00 96.62 C \nATOM 204 C TYR A 25 0.204 6.151 -9.183 1.00 96.62 C \nATOM 205 O TYR A 25 0.726 5.276 -9.923 1.00 96.62 O \nATOM 206 CB TYR A 25 1.704 5.731 -7.192 1.00 96.62 C \nATOM 207 CG TYR A 25 2.805 6.308 -6.354 1.00 96.62 C \nATOM 208 CD1 TYR A 25 4.135 6.641 -6.918 1.00 96.62 C \nATOM 209 CD2 TYR A 25 2.604 6.558 -4.934 1.00 96.62 C \nATOM 210 CE1 TYR A 25 5.148 7.111 -6.158 1.00 96.62 C \nATOM 211 CE2 TYR A 25 3.684 7.065 -4.126 1.00 96.62 C \nATOM 212 CZ TYR A 25 4.930 7.377 -4.730 1.00 96.62 C \nATOM 213 OH TYR A 25 5.964 7.908 -3.975 1.00 96.62 O \nATOM 214 N GLY A 26 -1.044 6.527 -9.333 1.00 96.42 N \nATOM 215 CA GLY A 26 -1.923 6.023 -10.344 1.00 96.42 C \nATOM 216 C GLY A 26 -2.423 4.640 -10.052 1.00 96.42 C \nATOM 217 O GLY A 26 -2.879 3.930 -10.985 1.00 96.42 O \nATOM 218 N ILE A 27 -2.387 4.188 -8.845 1.00 97.64 N \nATOM 219 CA ILE A 27 -2.861 2.862 -8.463 1.00 97.64 C \nATOM 220 C ILE A 27 -4.323 2.918 -8.118 1.00 97.64 C \nATOM 221 O ILE A 27 -4.751 3.689 -7.268 1.00 97.64 O \nATOM 222 CB ILE A 27 -2.062 2.364 -7.236 1.00 97.64 C \nATOM 223 CG1 ILE A 27 -0.582 2.316 -7.617 1.00 97.64 C \nATOM 224 CG2 ILE A 27 -2.639 1.010 -6.755 1.00 97.64 C \nATOM 225 CD1 ILE A 27 0.346 2.076 -6.428 1.00 97.64 C \nATOM 226 N THR A 28 -5.157 2.176 -8.824 1.00 95.54 N \nATOM 227 CA THR A 28 -6.601 2.238 -8.676 1.00 95.54 C \nATOM 228 C THR A 28 -7.184 1.034 -7.902 1.00 95.54 C \nATOM 229 O THR A 28 -8.298 1.099 -7.373 1.00 95.54 O \nATOM 230 CB THR A 28 -7.308 2.363 -10.046 1.00 95.54 C \nATOM 231 OG1 THR A 28 -6.957 1.261 -10.872 1.00 95.54 O \nATOM 232 CG2 THR A 28 -6.891 3.644 -10.766 1.00 95.54 C \nATOM 233 N ASP A 29 -6.446 -0.096 -7.797 1.00 96.24 N \nATOM 234 CA ASP A 29 -6.939 -1.282 -7.122 1.00 96.24 C \nATOM 235 C ASP A 29 -6.550 -1.239 -5.646 1.00 96.24 C \nATOM 236 O ASP A 29 -5.647 -1.929 -5.178 1.00 96.24 O \nATOM 237 CB ASP A 29 -6.389 -2.525 -7.781 1.00 96.24 C \nATOM 238 CG ASP A 29 -6.932 -3.793 -7.165 1.00 96.24 C \nATOM 239 OD1 ASP A 29 -7.868 -3.688 -6.295 1.00 96.24 O \nATOM 240 OD2 ASP A 29 -6.462 -4.909 -7.558 1.00 96.24 O \nATOM 241 N LEU A 30 -7.260 -0.406 -4.855 1.00 96.08 N \nATOM 242 CA LEU A 30 -6.970 -0.279 -3.454 1.00 96.08 C \nATOM 243 C LEU A 30 -7.354 -1.505 -2.664 1.00 96.08 C \nATOM 244 O LEU A 30 -6.687 -1.856 -1.695 1.00 96.08 O \nATOM 245 CB LEU A 30 -7.669 0.937 -2.875 1.00 96.08 C \nATOM 246 CG LEU A 30 -7.150 2.313 -3.334 1.00 96.08 C \nATOM 247 CD1 LEU A 30 -7.993 3.416 -2.866 1.00 96.08 C \nATOM 248 CD2 LEU A 30 -5.761 2.525 -2.896 1.00 96.08 C \nATOM 249 N ARG A 31 -8.442 -2.138 -3.078 1.00 96.89 N \nATOM 250 CA ARG A 31 -8.825 -3.371 -2.359 1.00 96.89 C \nATOM 251 C ARG A 31 -7.761 -4.446 -2.458 1.00 96.89 C \nATOM 252 O ARG A 31 -7.450 -5.094 -1.457 1.00 96.89 O \nATOM 253 CB ARG A 31 -10.168 -3.896 -2.866 1.00 96.89 C \nATOM 254 CG ARG A 31 -11.351 -3.022 -2.428 1.00 96.89 C \nATOM 255 CD ARG A 31 -12.666 -3.710 -2.903 1.00 96.89 C \nATOM 256 NE ARG A 31 -13.826 -2.878 -2.418 1.00 96.89 N \nATOM 257 CZ ARG A 31 -15.132 -3.240 -2.626 1.00 96.89 C \nATOM 258 NH1 ARG A 31 -15.413 -4.409 -3.223 1.00 96.89 N \nATOM 259 NH2 ARG A 31 -16.150 -2.399 -2.225 1.00 96.89 N \nATOM 260 N GLY A 32 -7.150 -4.632 -3.586 1.00 97.40 N \nATOM 261 CA GLY A 32 -6.115 -5.590 -3.774 1.00 97.40 C \nATOM 262 C GLY A 32 -4.887 -5.195 -3.016 1.00 97.40 C \nATOM 263 O GLY A 32 -4.212 -6.081 -2.423 1.00 97.40 O \nATOM 264 N MET A 33 -4.583 -3.962 -2.987 1.00 96.97 N \nATOM 265 CA MET A 33 -3.436 -3.469 -2.250 1.00 96.97 C \nATOM 266 C MET A 33 -3.605 -3.725 -0.756 1.00 96.97 C \nATOM 267 O MET A 33 -2.665 -4.146 -0.103 1.00 96.97 O \nATOM 268 CB MET A 33 -3.260 -1.991 -2.494 1.00 96.97 C \nATOM 269 CG MET A 33 -2.742 -1.641 -3.896 1.00 96.97 C \nATOM 270 SD MET A 33 -2.600 0.068 -4.139 1.00 96.97 S \nATOM 271 CE MET A 33 -1.175 0.435 -3.182 1.00 96.97 C \nATOM 272 N LEU A 34 -4.790 -3.395 -0.227 1.00 96.54 N \nATOM 273 CA LEU A 34 -5.064 -3.614 1.189 1.00 96.54 C \nATOM 274 C LEU A 34 -4.983 -5.063 1.556 1.00 96.54 C \nATOM 275 O LEU A 34 -4.391 -5.427 2.593 1.00 96.54 O \nATOM 276 CB LEU A 34 -6.400 -3.024 1.569 1.00 96.54 C \nATOM 277 CG LEU A 34 -6.490 -1.486 1.587 1.00 96.54 C \nATOM 278 CD1 LEU A 34 -7.951 -1.056 1.737 1.00 96.54 C \nATOM 279 CD2 LEU A 34 -5.628 -0.936 2.672 1.00 96.54 C \nATOM 280 N LYS A 35 -5.533 -5.953 0.747 1.00 97.80 N \nATOM 281 CA LYS A 35 -5.437 -7.399 1.005 1.00 97.80 C \nATOM 282 C LYS A 35 -3.977 -7.816 1.013 1.00 97.80 C \nATOM 283 O LYS A 35 -3.535 -8.577 1.922 1.00 97.80 O \nATOM 284 CB LYS A 35 -6.185 -8.195 -0.054 1.00 97.80 C \nATOM 285 CG LYS A 35 -7.716 -8.112 0.128 1.00 97.80 C \nATOM 286 CD LYS A 35 -8.416 -8.834 -0.948 1.00 97.80 C \nATOM 287 CE LYS A 35 -9.974 -8.767 -0.710 1.00 97.80 C \nATOM 288 NZ LYS A 35 -10.737 -9.585 -1.800 1.00 97.80 N \nATOM 289 N ARG A 36 -3.193 -7.393 0.068 1.00 97.58 N \nATOM 290 CA ARG A 36 -1.764 -7.749 -0.001 1.00 97.58 C \nATOM 291 C ARG A 36 -1.021 -7.178 1.184 1.00 97.58 C \nATOM 292 O ARG A 36 -0.177 -7.839 1.759 1.00 97.58 O \nATOM 293 CB ARG A 36 -1.161 -7.253 -1.309 1.00 97.58 C \nATOM 294 CG ARG A 36 0.249 -7.773 -1.508 1.00 97.58 C \nATOM 295 CD ARG A 36 0.696 -7.566 -2.911 1.00 97.58 C \nATOM 296 NE ARG A 36 2.029 -8.140 -3.128 1.00 97.58 N \nATOM 297 CZ ARG A 36 2.646 -8.185 -4.307 1.00 97.58 C \nATOM 298 NH1 ARG A 36 2.008 -7.752 -5.424 1.00 97.58 N \nATOM 299 NH2 ARG A 36 3.872 -8.721 -4.413 1.00 97.58 N \nATOM 300 N LEU A 37 -1.320 -5.908 1.598 1.00 97.26 N \nATOM 301 CA LEU A 37 -0.684 -5.297 2.745 1.00 97.26 C \nATOM 302 C LEU A 37 -0.980 -6.077 4.034 1.00 97.26 C \nATOM 303 O LEU A 37 -0.072 -6.256 4.862 1.00 97.26 O \nATOM 304 CB LEU A 37 -1.155 -3.848 2.918 1.00 97.26 C \nATOM 305 CG LEU A 37 -0.532 -2.836 1.938 1.00 97.26 C \nATOM 306 CD1 LEU A 37 -1.242 -1.526 2.012 1.00 97.26 C \nATOM 307 CD2 LEU A 37 0.942 -2.657 2.194 1.00 97.26 C \nATOM 308 N LYS A 38 -2.152 -6.529 4.148 1.00 96.71 N \nATOM 309 CA LYS A 38 -2.521 -7.322 5.332 1.00 96.71 C \nATOM 310 C LYS A 38 -1.695 -8.575 5.362 1.00 96.71 C \nATOM 311 O LYS A 38 -1.186 -9.013 6.431 1.00 96.71 O \nATOM 312 CB LYS A 38 -4.019 -7.623 5.343 1.00 96.71 C \nATOM 313 CG LYS A 38 -4.863 -6.366 5.623 1.00 96.71 C \nATOM 314 CD LYS A 38 -6.376 -6.759 5.547 1.00 96.71 C \nATOM 315 CE LYS A 38 -7.243 -5.517 5.889 1.00 96.71 C \nATOM 316 NZ LYS A 38 -8.774 -5.904 5.851 1.00 96.71 N \nATOM 317 N ARG A 39 -1.565 -9.285 4.238 1.00 97.59 N \nATOM 318 CA ARG A 39 -0.735 -10.491 4.167 1.00 97.59 C \nATOM 319 C ARG A 39 0.719 -10.188 4.461 1.00 97.59 C \nATOM 320 O ARG A 39 1.375 -10.956 5.161 1.00 97.59 O \nATOM 321 CB ARG A 39 -0.830 -11.142 2.802 1.00 97.59 C \nATOM 322 CG ARG A 39 -2.248 -11.726 2.610 1.00 97.59 C \nATOM 323 CD ARG A 39 -2.367 -12.371 1.226 1.00 97.59 C \nATOM 324 NE ARG A 39 -1.458 -13.591 1.161 1.00 97.59 N \nATOM 325 CZ ARG A 39 -1.342 -14.261 0.087 1.00 97.59 C \nATOM 326 NH1 ARG A 39 -1.959 -13.938 -1.116 1.00 97.59 N \nATOM 327 NH2 ARG A 39 -0.479 -15.326 0.071 1.00 97.59 N \nATOM 328 N MET A 40 1.262 -9.086 3.935 1.00 96.80 N \nATOM 329 CA MET A 40 2.650 -8.698 4.197 1.00 96.80 C \nATOM 330 C MET A 40 2.873 -8.415 5.658 1.00 96.80 C \nATOM 331 O MET A 40 3.906 -8.768 6.207 1.00 96.80 O \nATOM 332 CB MET A 40 2.989 -7.469 3.380 1.00 96.80 C \nATOM 333 CG MET A 40 3.092 -7.730 1.839 1.00 96.80 C \nATOM 334 SD MET A 40 3.328 -6.242 0.930 1.00 96.80 S \nATOM 335 CE MET A 40 5.049 -5.902 1.226 1.00 96.80 C \nATOM 336 N ARG A 41 1.943 -7.762 6.334 1.00 95.44 N \nATOM 337 CA ARG A 41 2.060 -7.496 7.769 1.00 95.44 C \nATOM 338 C ARG A 41 1.997 -8.782 8.565 1.00 95.44 C \nATOM 339 O ARG A 41 2.756 -8.951 9.525 1.00 95.44 O \nATOM 340 CB ARG A 41 0.959 -6.523 8.238 1.00 95.44 C \nATOM 341 CG ARG A 41 1.181 -5.117 7.717 1.00 95.44 C \nATOM 342 CD ARG A 41 -0.015 -4.224 8.015 1.00 95.44 C \nATOM 343 NE ARG A 41 0.250 -2.857 7.560 1.00 95.44 N \nATOM 344 CZ ARG A 41 -0.693 -1.937 7.536 1.00 95.44 C \nATOM 345 NH1 ARG A 41 -1.923 -2.197 7.917 1.00 95.44 N \nATOM 346 NH2 ARG A 41 -0.396 -0.711 7.089 1.00 95.44 N \nATOM 347 N ARG A 42 1.120 -9.695 8.164 1.00 96.60 N \nATOM 348 CA ARG A 42 1.032 -10.995 8.850 1.00 96.60 C \nATOM 349 C ARG A 42 2.322 -11.777 8.681 1.00 96.60 C \nATOM 350 O ARG A 42 2.753 -12.454 9.601 1.00 96.60 O \nATOM 351 CB ARG A 42 -0.126 -11.808 8.329 1.00 96.60 C \nATOM 352 CG ARG A 42 -1.462 -11.270 8.797 1.00 96.60 C \nATOM 353 CD ARG A 42 -2.586 -12.041 8.219 1.00 96.60 C \nATOM 354 NE ARG A 42 -3.890 -11.541 8.668 1.00 96.60 N \nATOM 355 CZ ARG A 42 -4.981 -11.998 8.255 1.00 96.60 C \nATOM 356 NH1 ARG A 42 -5.065 -13.055 7.439 1.00 96.60 N \nATOM 357 NH2 ARG A 42 -6.154 -11.444 8.684 1.00 96.60 N \nATOM 358 N GLU A 43 2.940 -11.753 7.523 1.00 94.23 N \nATOM 359 CA GLU A 43 4.191 -12.476 7.269 1.00 94.23 C \nATOM 360 C GLU A 43 5.355 -11.914 8.045 1.00 94.23 C \nATOM 361 O GLU A 43 6.289 -12.619 8.342 1.00 94.23 O \nATOM 362 CB GLU A 43 4.514 -12.458 5.781 1.00 94.23 C \nATOM 363 CG GLU A 43 3.556 -13.281 4.939 1.00 94.23 C \nATOM 364 CD GLU A 43 3.681 -13.152 3.441 1.00 94.23 C \nATOM 365 OE1 GLU A 43 4.507 -12.392 2.961 1.00 94.23 O \nATOM 366 OE2 GLU A 43 2.915 -13.814 2.729 1.00 94.23 O \nATOM 367 N GLU A 44 5.301 -10.580 8.385 1.00 91.27 N \nATOM 368 CA GLU A 44 6.352 -9.949 9.174 1.00 91.27 C \nATOM 369 C GLU A 44 6.240 -10.223 10.634 1.00 91.27 C \nATOM 370 O GLU A 44 7.143 -9.982 11.369 1.00 91.27 O \nATOM 371 CB GLU A 44 6.311 -8.458 8.937 1.00 91.27 C \nATOM 372 CG GLU A 44 6.731 -8.057 7.549 1.00 91.27 C \nATOM 373 CD GLU A 44 6.588 -6.623 7.273 1.00 91.27 C \nATOM 374 OE1 GLU A 44 6.088 -5.847 8.085 1.00 91.27 O \nATOM 375 OE2 GLU A 44 6.999 -6.154 6.188 1.00 91.27 O \nATOM 376 N LYS A 45 5.144 -10.757 11.075 1.00 91.03 N \nATOM 377 CA LYS A 45 4.963 -11.145 12.480 1.00 91.03 C \nATOM 378 C LYS A 45 5.539 -12.465 12.785 1.00 91.03 C \nATOM 379 O LYS A 45 6.106 -12.937 13.542 1.00 91.03 O \nATOM 380 CB LYS A 45 3.491 -11.134 12.892 1.00 91.03 C \nATOM 381 CG LYS A 45 2.914 -9.749 12.979 1.00 91.03 C \nATOM 382 CD LYS A 45 1.494 -9.731 13.479 1.00 91.03 C \nATOM 383 CE LYS A 45 0.953 -8.382 13.639 1.00 91.03 C \nATOM 384 NZ LYS A 45 -0.477 -8.461 14.201 1.00 91.03 N \nEND \n ", "plddt_mean": 95.97111111111111, "wall_clock_seconds": 117.68537926673889, "ok": true }, { "target_pdb_id": "13CZ:A", "model": "simplefold-100m", "predicted_pdb_text": "ATOM 1 N MET A 1 -8.898 -4.436 -15.713 1.00 41.26 N \nATOM 2 CA MET A 1 -9.130 -3.821 -14.453 1.00 41.26 C \nATOM 3 C MET A 1 -10.026 -2.636 -14.608 1.00 41.26 C \nATOM 4 O MET A 1 -9.885 -1.866 -15.574 1.00 41.26 O \nATOM 5 CB MET A 1 -7.705 -3.394 -13.976 1.00 41.26 C \nATOM 6 CG MET A 1 -7.592 -2.432 -12.901 1.00 41.26 C \nATOM 7 SD MET A 1 -5.949 -1.916 -12.358 1.00 41.26 S \nATOM 8 CE MET A 1 -5.546 -0.746 -13.435 1.00 41.26 C \nATOM 9 N ALA A 2 -10.894 -2.450 -13.576 1.00 47.82 N \nATOM 10 CA ALA A 2 -11.763 -1.269 -13.576 1.00 47.82 C \nATOM 11 C ALA A 2 -11.058 -0.098 -12.928 1.00 47.82 C \nATOM 12 O ALA A 2 -10.668 -0.189 -11.763 1.00 47.82 O \nATOM 13 CB ALA A 2 -13.051 -1.591 -12.825 1.00 47.82 C \nATOM 14 N SER A 3 -10.818 0.978 -13.652 1.00 49.01 N \nATOM 15 CA SER A 3 -10.183 2.163 -13.104 1.00 49.01 C \nATOM 16 C SER A 3 -11.215 3.076 -12.468 1.00 49.01 C \nATOM 17 O SER A 3 -12.343 3.228 -12.959 1.00 49.01 O \nATOM 18 CB SER A 3 -9.450 2.954 -14.168 1.00 49.01 C \nATOM 19 OG SER A 3 -8.405 2.147 -14.740 1.00 49.01 O \nATOM 20 N GLY A 4 -10.778 3.718 -11.431 1.00 66.06 N \nATOM 21 CA GLY A 4 -11.660 4.644 -10.762 1.00 66.06 C \nATOM 22 C GLY A 4 -11.199 6.064 -10.921 1.00 66.06 C \nATOM 23 O GLY A 4 -10.821 6.510 -12.011 1.00 66.06 O \nATOM 24 N GLN A 5 -11.128 6.783 -9.791 1.00 70.41 N \nATOM 25 CA GLN A 5 -10.728 8.174 -9.791 1.00 70.41 C \nATOM 26 C GLN A 5 -9.223 8.291 -10.027 1.00 70.41 C \nATOM 27 O GLN A 5 -8.454 7.697 -9.299 1.00 70.41 O \nATOM 28 CB GLN A 5 -11.087 8.851 -8.468 1.00 70.41 C \nATOM 29 CG GLN A 5 -10.668 10.282 -8.334 1.00 70.41 C \nATOM 30 CD GLN A 5 -11.022 10.910 -7.002 1.00 70.41 C \nATOM 31 OE1 GLN A 5 -11.632 10.316 -6.082 1.00 70.41 O \nATOM 32 NE2 GLN A 5 -10.674 12.158 -6.854 1.00 70.41 N \nATOM 33 N PRO A 6 -8.696 8.995 -10.952 1.00 75.77 N \nATOM 34 CA PRO A 6 -7.267 9.221 -11.108 1.00 75.77 C \nATOM 35 C PRO A 6 -6.721 10.069 -9.952 1.00 75.77 C \nATOM 36 O PRO A 6 -7.366 11.043 -9.527 1.00 75.77 O \nATOM 37 CB PRO A 6 -7.110 9.966 -12.409 1.00 75.77 C \nATOM 38 CG PRO A 6 -8.380 9.723 -13.157 1.00 75.77 C \nATOM 39 CD PRO A 6 -9.452 9.530 -12.102 1.00 75.77 C \nATOM 40 N ILE A 7 -5.618 9.691 -9.529 1.00 74.78 N \nATOM 41 CA ILE A 7 -4.964 10.407 -8.432 1.00 74.78 C \nATOM 42 C ILE A 7 -3.578 10.814 -8.869 1.00 74.78 C \nATOM 43 O ILE A 7 -2.872 10.019 -9.499 1.00 74.78 O \nATOM 44 CB ILE A 7 -4.878 9.492 -7.201 1.00 74.78 C \nATOM 45 CG1 ILE A 7 -6.192 8.975 -6.772 1.00 74.78 C \nATOM 46 CG2 ILE A 7 -4.211 10.207 -6.063 1.00 74.78 C \nATOM 47 CD1 ILE A 7 -7.207 10.042 -6.417 1.00 74.78 C \nATOM 48 N SER A 8 -3.189 12.034 -8.546 1.00 78.24 N \nATOM 49 CA SER A 8 -1.861 12.577 -8.889 1.00 78.24 C \nATOM 50 C SER A 8 -1.150 13.010 -7.616 1.00 78.24 C \nATOM 51 O SER A 8 -1.693 13.719 -6.797 1.00 78.24 O \nATOM 52 CB SER A 8 -1.968 13.758 -9.844 1.00 78.24 C \nATOM 53 OG SER A 8 -0.696 14.247 -10.215 1.00 78.24 O \nATOM 54 N LEU A 9 -0.004 12.441 -7.347 1.00 74.03 N \nATOM 55 CA LEU A 9 0.803 12.779 -6.184 1.00 74.03 C \nATOM 56 C LEU A 9 2.147 13.285 -6.630 1.00 74.03 C \nATOM 57 O LEU A 9 2.568 13.107 -7.798 1.00 74.03 O \nATOM 58 CB LEU A 9 0.989 11.523 -5.301 1.00 74.03 C \nATOM 59 CG LEU A 9 -0.260 10.842 -4.785 1.00 74.03 C \nATOM 60 CD1 LEU A 9 0.120 9.551 -4.045 1.00 74.03 C \nATOM 61 CD2 LEU A 9 -1.058 11.792 -3.929 1.00 74.03 C \nATOM 62 N MET A 10 2.898 13.892 -5.807 1.00 70.13 N \nATOM 63 CA MET A 10 4.262 14.362 -6.038 1.00 70.13 C \nATOM 64 C MET A 10 4.336 15.309 -7.234 1.00 70.13 C \nATOM 65 O MET A 10 5.224 15.112 -8.141 1.00 70.13 O \nATOM 66 CB MET A 10 5.229 13.195 -6.198 1.00 70.13 C \nATOM 67 CG MET A 10 5.243 12.237 -5.089 1.00 70.13 C \nATOM 68 SD MET A 10 6.421 10.939 -5.327 1.00 70.13 S \nATOM 69 CE MET A 10 7.969 11.864 -5.387 1.00 70.13 C \nATOM 70 N ASP A 11 3.441 16.357 -7.218 1.00 74.67 N \nATOM 71 CA ASP A 11 3.438 17.382 -8.313 1.00 74.67 C \nATOM 72 C ASP A 11 3.353 16.704 -9.669 1.00 74.67 C \nATOM 73 O ASP A 11 4.006 17.116 -10.608 1.00 74.67 O \nATOM 74 CB ASP A 11 4.631 18.288 -8.241 1.00 74.67 C \nATOM 75 CG ASP A 11 4.665 19.109 -6.952 1.00 74.67 C \nATOM 76 OD1 ASP A 11 3.600 19.634 -6.555 1.00 74.67 O \nATOM 77 OD2 ASP A 11 5.747 19.252 -6.403 1.00 74.67 O \nATOM 78 N GLY A 12 2.579 15.554 -9.796 1.00 72.24 N \nATOM 79 CA GLY A 12 2.398 14.854 -11.036 1.00 72.24 C \nATOM 80 C GLY A 12 3.429 13.823 -11.356 1.00 72.24 C \nATOM 81 O GLY A 12 3.340 13.168 -12.441 1.00 72.24 O \nATOM 82 N LYS A 13 4.398 13.651 -10.556 1.00 72.84 N \nATOM 83 CA LYS A 13 5.445 12.664 -10.823 1.00 72.84 C \nATOM 84 C LYS A 13 4.966 11.262 -10.577 1.00 72.84 C \nATOM 85 O LYS A 13 5.559 10.297 -11.099 1.00 72.84 O \nATOM 86 CB LYS A 13 6.663 12.955 -9.931 1.00 72.84 C \nATOM 87 CG LYS A 13 7.390 14.247 -10.237 1.00 72.84 C \nATOM 88 CD LYS A 13 8.547 14.495 -9.328 1.00 72.84 C \nATOM 89 CE LYS A 13 9.259 15.806 -9.564 1.00 72.84 C \nATOM 90 NZ LYS A 13 10.326 16.001 -8.594 1.00 72.84 N \nATOM 91 N LEU A 14 3.870 11.103 -9.764 1.00 72.18 N \nATOM 92 CA LEU A 14 3.314 9.793 -9.455 1.00 72.18 C \nATOM 93 C LEU A 14 1.815 9.836 -9.615 1.00 72.18 C \nATOM 94 O LEU A 14 1.159 10.775 -9.103 1.00 72.18 O \nATOM 95 CB LEU A 14 3.663 9.421 -8.012 1.00 72.18 C \nATOM 96 CG LEU A 14 3.107 8.089 -7.499 1.00 72.18 C \nATOM 97 CD1 LEU A 14 3.807 6.951 -8.172 1.00 72.18 C \nATOM 98 CD2 LEU A 14 3.298 8.050 -5.985 1.00 72.18 C \nATOM 99 N SER A 15 1.217 8.860 -10.318 1.00 75.17 N \nATOM 100 CA SER A 15 -0.227 8.805 -10.440 1.00 75.17 C \nATOM 101 C SER A 15 -0.737 7.371 -10.427 1.00 75.17 C \nATOM 102 O SER A 15 0.006 6.419 -10.724 1.00 75.17 O \nATOM 103 CB SER A 15 -0.698 9.539 -11.711 1.00 75.17 C \nATOM 104 OG SER A 15 -0.259 8.831 -12.897 1.00 75.17 O \nATOM 105 N PHE A 16 -1.983 7.192 -10.007 1.00 74.08 N \nATOM 106 CA PHE A 16 -2.676 5.892 -10.061 1.00 74.08 C \nATOM 107 C PHE A 16 -4.158 6.178 -10.028 1.00 74.08 C \nATOM 108 O PHE A 16 -4.589 7.312 -9.796 1.00 74.08 O \nATOM 109 CB PHE A 16 -2.215 4.960 -8.921 1.00 74.08 C \nATOM 110 CG PHE A 16 -2.514 5.398 -7.562 1.00 74.08 C \nATOM 111 CD1 PHE A 16 -3.731 5.062 -6.968 1.00 74.08 C \nATOM 112 CD2 PHE A 16 -1.523 6.169 -6.850 1.00 74.08 C \nATOM 113 CE1 PHE A 16 -3.992 5.450 -5.628 1.00 74.08 C \nATOM 114 CE2 PHE A 16 -1.716 6.595 -5.544 1.00 74.08 C \nATOM 115 CZ PHE A 16 -2.999 6.263 -4.919 1.00 74.08 C \nATOM 116 N SER A 17 -4.951 5.117 -10.247 1.00 72.13 N \nATOM 117 CA SER A 17 -6.409 5.236 -10.148 1.00 72.13 C \nATOM 118 C SER A 17 -6.891 4.316 -9.036 1.00 72.13 C \nATOM 119 O SER A 17 -6.325 3.240 -8.791 1.00 72.13 O \nATOM 120 CB SER A 17 -7.049 4.831 -11.417 1.00 72.13 C \nATOM 121 OG SER A 17 -6.710 5.802 -12.479 1.00 72.13 O \nATOM 122 N LEU A 18 -7.966 4.746 -8.375 1.00 74.14 N \nATOM 123 CA LEU A 18 -8.631 3.908 -7.365 1.00 74.14 C \nATOM 124 C LEU A 18 -9.946 3.379 -7.936 1.00 74.14 C \nATOM 125 O LEU A 18 -10.560 4.051 -8.838 1.00 74.14 O \nATOM 126 CB LEU A 18 -8.905 4.695 -6.105 1.00 74.14 C \nATOM 127 CG LEU A 18 -7.626 5.104 -5.307 1.00 74.14 C \nATOM 128 CD1 LEU A 18 -8.054 5.859 -4.044 1.00 74.14 C \nATOM 129 CD2 LEU A 18 -6.826 3.849 -4.877 1.00 74.14 C \nATOM 130 N PRO A 19 -10.369 2.255 -7.398 1.00 71.13 N \nATOM 131 CA PRO A 19 -11.677 1.751 -7.808 1.00 71.13 C \nATOM 132 C PRO A 19 -12.769 2.802 -7.580 1.00 71.13 C \nATOM 133 O PRO A 19 -12.718 3.564 -6.598 1.00 71.13 O \nATOM 134 CB PRO A 19 -11.907 0.553 -6.943 1.00 71.13 C \nATOM 135 CG PRO A 19 -10.518 0.074 -6.555 1.00 71.13 C \nATOM 136 CD PRO A 19 -9.701 1.362 -6.407 1.00 71.13 C \nATOM 137 N ALA A 20 -13.770 2.862 -8.493 1.00 71.57 N \nATOM 138 CA ALA A 20 -14.814 3.883 -8.490 1.00 71.57 C \nATOM 139 C ALA A 20 -15.647 3.882 -7.193 1.00 71.57 C \nATOM 140 O ALA A 20 -16.239 4.924 -6.857 1.00 71.57 O \nATOM 141 CB ALA A 20 -15.733 3.714 -9.687 1.00 71.57 C \nATOM 142 N ASP A 21 -15.753 2.735 -6.560 1.00 70.28 N \nATOM 143 CA ASP A 21 -16.551 2.626 -5.329 1.00 70.28 C \nATOM 144 C ASP A 21 -15.829 3.152 -4.077 1.00 70.28 C \nATOM 145 O ASP A 21 -16.366 3.126 -2.963 1.00 70.28 O \nATOM 146 CB ASP A 21 -16.990 1.190 -5.098 1.00 70.28 C \nATOM 147 CG ASP A 21 -15.867 0.218 -4.822 1.00 70.28 C \nATOM 148 OD1 ASP A 21 -14.725 0.497 -5.172 1.00 70.28 O \nATOM 149 OD2 ASP A 21 -16.170 -0.820 -4.251 1.00 70.28 O \nATOM 150 N MET A 22 -14.504 3.601 -4.210 1.00 74.44 N \nATOM 151 CA MET A 22 -13.779 4.137 -3.084 1.00 74.44 C \nATOM 152 C MET A 22 -13.836 5.642 -3.057 1.00 74.44 C \nATOM 153 O MET A 22 -13.878 6.289 -4.092 1.00 74.44 O \nATOM 154 CB MET A 22 -12.326 3.644 -3.048 1.00 74.44 C \nATOM 155 CG MET A 22 -12.183 2.103 -2.999 1.00 74.44 C \nATOM 156 SD MET A 22 -10.470 1.539 -2.822 1.00 74.44 S \nATOM 157 CE MET A 22 -10.232 1.744 -1.021 1.00 74.44 C \nATOM 158 N THR A 23 -13.856 6.206 -1.846 1.00 77.74 N \nATOM 159 CA THR A 23 -13.985 7.669 -1.644 1.00 77.74 C \nATOM 160 C THR A 23 -12.779 8.210 -0.886 1.00 77.74 C \nATOM 161 O THR A 23 -12.268 7.563 -0.004 1.00 77.74 O \nATOM 162 CB THR A 23 -15.243 7.978 -0.819 1.00 77.74 C \nATOM 163 OG1 THR A 23 -16.371 7.522 -1.505 1.00 77.74 O \nATOM 164 CG2 THR A 23 -15.426 9.434 -0.515 1.00 77.74 C \nATOM 165 N ASP A 24 -12.330 9.428 -1.230 1.00 76.03 N \nATOM 166 CA ASP A 24 -11.263 10.116 -0.549 1.00 76.03 C \nATOM 167 C ASP A 24 -11.739 10.553 0.845 1.00 76.03 C \nATOM 168 O ASP A 24 -12.665 11.337 0.972 1.00 76.03 O \nATOM 169 CB ASP A 24 -10.789 11.318 -1.370 1.00 76.03 C \nATOM 170 CG ASP A 24 -9.553 12.007 -0.796 1.00 76.03 C \nATOM 171 OD1 ASP A 24 -9.221 11.805 0.414 1.00 76.03 O \nATOM 172 OD2 ASP A 24 -8.888 12.751 -1.544 1.00 76.03 O \nATOM 173 N GLN A 25 -11.126 9.974 1.870 1.00 74.96 N \nATOM 174 CA GLN A 25 -11.487 10.248 3.259 1.00 74.96 C \nATOM 175 C GLN A 25 -10.415 11.056 4.017 1.00 74.96 C \nATOM 176 O GLN A 25 -10.522 11.217 5.269 1.00 74.96 O \nATOM 177 CB GLN A 25 -11.801 8.929 4.007 1.00 74.96 C \nATOM 178 CG GLN A 25 -12.884 8.079 3.407 1.00 74.96 C \nATOM 179 CD GLN A 25 -14.304 8.729 3.523 1.00 74.96 C \nATOM 180 OE1 GLN A 25 -14.572 9.573 4.522 1.00 74.96 O \nATOM 181 NE2 GLN A 25 -15.217 8.466 2.578 1.00 74.96 N \nATOM 182 N SER A 26 -9.340 11.434 3.268 1.00 74.88 N \nATOM 183 CA SER A 26 -8.221 12.141 3.906 1.00 74.88 C \nATOM 184 C SER A 26 -8.662 13.307 4.748 1.00 74.88 C \nATOM 185 O SER A 26 -8.228 13.451 5.894 1.00 74.88 O \nATOM 186 CB SER A 26 -7.241 12.587 2.851 1.00 74.88 C \nATOM 187 OG SER A 26 -6.700 11.480 2.127 1.00 74.88 O \nATOM 188 N GLY A 27 -9.542 14.141 4.234 1.00 68.28 N \nATOM 189 CA GLY A 27 -10.023 15.301 4.994 1.00 68.28 C \nATOM 190 C GLY A 27 -10.862 14.912 6.189 1.00 68.28 C \nATOM 191 O GLY A 27 -10.769 15.575 7.253 1.00 68.28 O \nATOM 192 N LYS A 28 -11.708 13.892 6.073 1.00 69.56 N \nATOM 193 CA LYS A 28 -12.601 13.469 7.158 1.00 69.56 C \nATOM 194 C LYS A 28 -11.837 12.834 8.313 1.00 69.56 C \nATOM 195 O LYS A 28 -12.315 12.864 9.467 1.00 69.56 O \nATOM 196 CB LYS A 28 -13.649 12.487 6.623 1.00 69.56 C \nATOM 197 CG LYS A 28 -14.613 13.100 5.637 1.00 69.56 C \nATOM 198 CD LYS A 28 -15.646 12.152 5.166 1.00 69.56 C \nATOM 199 CE LYS A 28 -16.652 12.799 4.247 1.00 69.56 C \nATOM 200 NZ LYS A 28 -17.618 11.847 3.688 1.00 69.56 N \nATOM 201 N LEU A 29 -10.600 12.273 8.007 1.00 65.88 N \nATOM 202 CA LEU A 29 -9.813 11.652 9.095 1.00 65.88 C \nATOM 203 C LEU A 29 -8.988 12.647 9.881 1.00 65.88 C \nATOM 204 O LEU A 29 -8.246 12.268 10.801 1.00 65.88 O \nATOM 205 CB LEU A 29 -8.884 10.544 8.470 1.00 65.88 C \nATOM 206 CG LEU A 29 -9.665 9.377 7.828 1.00 65.88 C \nATOM 207 CD1 LEU A 29 -8.629 8.436 7.141 1.00 65.88 C \nATOM 208 CD2 LEU A 29 -10.482 8.633 8.907 1.00 65.88 C \nATOM 209 N GLY A 30 -9.074 13.945 9.590 1.00 65.40 N \nATOM 210 CA GLY A 30 -8.432 15.012 10.356 1.00 65.40 C \nATOM 211 C GLY A 30 -6.948 15.005 10.329 1.00 65.40 C \nATOM 212 O GLY A 30 -6.295 15.459 11.247 1.00 65.40 O \nATOM 213 N THR A 31 -6.334 14.463 9.247 1.00 57.83 N \nATOM 214 CA THR A 31 -4.873 14.452 9.168 1.00 57.83 C \nATOM 215 C THR A 31 -4.388 15.818 8.707 1.00 57.83 C \nATOM 216 O THR A 31 -5.094 16.544 7.967 1.00 57.83 O \nATOM 217 CB THR A 31 -4.346 13.370 8.143 1.00 57.83 C \nATOM 218 OG1 THR A 31 -4.834 13.675 6.840 1.00 57.83 O \nATOM 219 CG2 THR A 31 -4.745 11.979 8.574 1.00 57.83 C \nATOM 220 N GLN A 32 -3.196 16.100 9.108 1.00 60.73 N \nATOM 221 CA GLN A 32 -2.543 17.341 8.723 1.00 60.73 C \nATOM 222 C GLN A 32 -1.486 17.112 7.690 1.00 60.73 C \nATOM 223 O GLN A 32 -0.878 18.055 7.190 1.00 60.73 O \nATOM 224 CB GLN A 32 -1.952 18.051 9.944 1.00 60.73 C \nATOM 225 CG GLN A 32 -3.040 18.558 10.876 1.00 60.73 C \nATOM 226 CD GLN A 32 -2.451 19.240 12.089 1.00 60.73 C \nATOM 227 OE1 GLN A 32 -1.186 19.292 12.373 1.00 60.73 O \nATOM 228 NE2 GLN A 32 -3.330 19.911 12.836 1.00 60.73 N \nATOM 229 N ALA A 33 -1.300 15.855 7.327 1.00 60.90 N \nATOM 230 CA ALA A 33 -0.278 15.493 6.375 1.00 60.90 C \nATOM 231 C ALA A 33 -0.799 15.700 4.959 1.00 60.90 C \nATOM 232 O ALA A 33 -1.749 15.079 4.541 1.00 60.90 O \nATOM 233 CB ALA A 33 0.146 14.063 6.565 1.00 60.90 C \nATOM 234 N ASN A 34 -0.142 16.607 4.230 1.00 61.90 N \nATOM 235 CA ASN A 34 -0.535 16.924 2.861 1.00 61.90 C \nATOM 236 C ASN A 34 -0.077 15.790 1.930 1.00 61.90 C \nATOM 237 O ASN A 34 -0.622 15.672 0.806 1.00 61.90 O \nATOM 238 CB ASN A 34 0.038 18.229 2.377 1.00 61.90 C \nATOM 239 CG ASN A 34 -0.513 19.394 3.102 1.00 61.90 C \nATOM 240 OD1 ASN A 34 -1.689 19.335 3.469 1.00 61.90 O \nATOM 241 ND2 ASN A 34 0.296 20.413 3.243 1.00 61.90 N \nATOM 242 N ASN A 35 0.856 14.993 2.389 1.00 70.43 N \nATOM 243 CA ASN A 35 1.372 13.920 1.593 1.00 70.43 C \nATOM 244 C ASN A 35 0.687 12.579 1.906 1.00 70.43 C \nATOM 245 O ASN A 35 1.143 11.497 1.425 1.00 70.43 O \nATOM 246 CB ASN A 35 2.878 13.762 1.790 1.00 70.43 C \nATOM 247 CG ASN A 35 3.267 13.343 3.193 1.00 70.43 C \nATOM 248 OD1 ASN A 35 2.567 13.777 4.154 1.00 70.43 O \nATOM 249 ND2 ASN A 35 4.393 12.614 3.345 1.00 70.43 N \nATOM 250 N MET A 36 -0.366 12.602 2.725 1.00 75.07 N \nATOM 251 CA MET A 36 -1.142 11.405 3.040 1.00 75.07 C \nATOM 252 C MET A 36 -2.491 11.447 2.353 1.00 75.07 C \nATOM 253 O MET A 36 -3.209 12.447 2.424 1.00 75.07 O \nATOM 254 CB MET A 36 -1.355 11.264 4.531 1.00 75.07 C \nATOM 255 CG MET A 36 -2.090 10.007 4.955 1.00 75.07 C \nATOM 256 SD MET A 36 -2.360 9.796 6.707 1.00 75.07 S \nATOM 257 CE MET A 36 -0.737 9.493 7.303 1.00 75.07 C \nATOM 258 N HIS A 37 -2.855 10.385 1.728 1.00 75.80 N \nATOM 259 CA HIS A 37 -4.147 10.229 1.082 1.00 75.80 C \nATOM 260 C HIS A 37 -4.788 8.942 1.578 1.00 75.80 C \nATOM 261 O HIS A 37 -4.186 7.883 1.576 1.00 75.80 O \nATOM 262 CB HIS A 37 -3.993 10.235 -0.463 1.00 75.80 C \nATOM 263 CG HIS A 37 -3.371 11.503 -0.993 1.00 75.80 C \nATOM 264 ND1 HIS A 37 -4.145 12.531 -1.482 1.00 75.80 N \nATOM 265 CD2 HIS A 37 -2.099 11.889 -1.095 1.00 75.80 C \nATOM 266 CE1 HIS A 37 -3.372 13.498 -1.902 1.00 75.80 C \nATOM 267 NE2 HIS A 37 -2.099 13.172 -1.644 1.00 75.80 N \nATOM 268 N VAL A 38 -6.005 8.994 1.994 1.00 77.71 N \nATOM 269 CA VAL A 38 -6.728 7.823 2.503 1.00 77.71 C \nATOM 270 C VAL A 38 -8.010 7.686 1.748 1.00 77.71 C \nATOM 271 O VAL A 38 -8.800 8.666 1.662 1.00 77.71 O \nATOM 272 CB VAL A 38 -7.026 7.941 3.999 1.00 77.71 C \nATOM 273 CG1 VAL A 38 -7.771 6.631 4.534 1.00 77.71 C \nATOM 274 CG2 VAL A 38 -5.711 8.178 4.764 1.00 77.71 C \nATOM 275 N TYR A 39 -8.292 6.566 1.228 1.00 76.66 N \nATOM 276 CA TYR A 39 -9.525 6.250 0.471 1.00 76.66 C \nATOM 277 C TYR A 39 -10.156 5.039 1.089 1.00 76.66 C \nATOM 278 O TYR A 39 -9.525 4.108 1.532 1.00 76.66 O \nATOM 279 CB TYR A 39 -9.190 5.985 -0.984 1.00 76.66 C \nATOM 280 CG TYR A 39 -8.553 7.159 -1.634 1.00 76.66 C \nATOM 281 CD1 TYR A 39 -9.318 8.156 -2.270 1.00 76.66 C \nATOM 282 CD2 TYR A 39 -7.154 7.335 -1.627 1.00 76.66 C \nATOM 283 CE1 TYR A 39 -8.746 9.209 -2.859 1.00 76.66 C \nATOM 284 CE2 TYR A 39 -6.550 8.402 -2.197 1.00 76.66 C \nATOM 285 CZ TYR A 39 -7.376 9.344 -2.846 1.00 76.66 C \nATOM 286 OH TYR A 39 -6.756 10.426 -3.429 1.00 76.66 O \nATOM 287 N SER A 40 -11.541 5.068 1.116 1.00 76.15 N \nATOM 288 CA SER A 40 -12.248 3.911 1.639 1.00 76.15 C \nATOM 289 C SER A 40 -13.507 3.652 0.846 1.00 76.15 C \nATOM 290 O SER A 40 -14.026 4.566 0.128 1.00 76.15 O \nATOM 291 CB SER A 40 -12.586 4.098 3.107 1.00 76.15 C \nATOM 292 OG SER A 40 -13.501 5.161 3.285 1.00 76.15 O \nATOM 293 N ASP A 41 -14.077 2.462 0.888 1.00 72.10 N \nATOM 294 CA ASP A 41 -15.339 2.217 0.260 1.00 72.10 C \nATOM 295 C ASP A 41 -16.467 2.759 1.153 1.00 72.10 C \nATOM 296 O ASP A 41 -16.235 3.178 2.280 1.00 72.10 O \nATOM 297 CB ASP A 41 -15.511 0.768 -0.095 1.00 72.10 C \nATOM 298 CG ASP A 41 -15.673 -0.196 1.066 1.00 72.10 C \nATOM 299 OD1 ASP A 41 -15.768 0.272 2.213 1.00 72.10 O \nATOM 300 OD2 ASP A 41 -15.731 -1.426 0.814 1.00 72.10 O \nATOM 301 N PRO A 42 -17.658 2.794 0.634 1.00 73.69 N \nATOM 302 CA PRO A 42 -18.756 3.339 1.461 1.00 73.69 C \nATOM 303 C PRO A 42 -19.029 2.653 2.793 1.00 73.69 C \nATOM 304 O PRO A 42 -19.527 3.278 3.695 1.00 73.69 O \nATOM 305 CB PRO A 42 -19.967 3.201 0.535 1.00 73.69 C \nATOM 306 CG PRO A 42 -19.421 3.145 -0.834 1.00 73.69 C \nATOM 307 CD PRO A 42 -18.132 2.449 -0.707 1.00 73.69 C \nATOM 308 N THR A 43 -18.718 1.393 2.897 1.00 73.22 N \nATOM 309 CA THR A 43 -18.969 0.679 4.142 1.00 73.22 C \nATOM 310 C THR A 43 -17.767 0.749 5.104 1.00 73.22 C \nATOM 311 O THR A 43 -17.908 0.309 6.252 1.00 73.22 O \nATOM 312 CB THR A 43 -19.290 -0.803 3.889 1.00 73.22 C \nATOM 313 OG1 THR A 43 -18.220 -1.452 3.309 1.00 73.22 O \nATOM 314 CG2 THR A 43 -20.515 -0.923 2.975 1.00 73.22 C \nATOM 315 N GLY A 44 -16.627 1.318 4.642 1.00 69.18 N \nATOM 316 CA GLY A 44 -15.404 1.359 5.433 1.00 69.18 C \nATOM 317 C GLY A 44 -14.714 0.027 5.543 1.00 69.18 C \nATOM 318 O GLY A 44 -13.779 -0.082 6.328 1.00 69.18 O \nATOM 319 N GLN A 45 -15.065 -0.963 4.738 1.00 70.59 N \nATOM 320 CA GLN A 45 -14.444 -2.295 4.809 1.00 70.59 C \nATOM 321 C GLN A 45 -13.133 -2.374 4.037 1.00 70.59 C \nATOM 322 O GLN A 45 -12.329 -3.242 4.287 1.00 70.59 O \nATOM 323 CB GLN A 45 -15.431 -3.350 4.284 1.00 70.59 C \nATOM 324 CG GLN A 45 -16.663 -3.430 5.065 1.00 70.59 C \nATOM 325 CD GLN A 45 -16.408 -3.915 6.479 1.00 70.59 C \nATOM 326 OE1 GLN A 45 -15.663 -4.882 6.724 1.00 70.59 O \nATOM 327 NE2 GLN A 45 -16.963 -3.172 7.456 1.00 70.59 N \nATOM 328 N LYS A 46 -12.925 -1.491 3.091 1.00 72.69 N \nATOM 329 CA LYS A 46 -11.746 -1.419 2.299 1.00 72.69 C \nATOM 330 C LYS A 46 -11.115 -0.056 2.509 1.00 72.69 C \nATOM 331 O LYS A 46 -11.789 0.961 2.640 1.00 72.69 O \nATOM 332 CB LYS A 46 -12.019 -1.639 0.811 1.00 72.69 C \nATOM 333 CG LYS A 46 -12.671 -2.921 0.500 1.00 72.69 C \nATOM 334 CD LYS A 46 -13.096 -3.017 -0.930 1.00 72.69 C \nATOM 335 CE LYS A 46 -13.757 -4.319 -1.238 1.00 72.69 C \nATOM 336 NZ LYS A 46 -14.212 -4.318 -2.597 1.00 72.69 N \nATOM 337 N ALA A 47 -9.848 -0.020 2.584 1.00 78.37 N \nATOM 338 CA ALA A 47 -9.149 1.251 2.697 1.00 78.37 C \nATOM 339 C ALA A 47 -7.832 1.202 1.938 1.00 78.37 C \nATOM 340 O ALA A 47 -7.169 0.166 1.870 1.00 78.37 O \nATOM 341 CB ALA A 47 -8.875 1.578 4.162 1.00 78.37 C \nATOM 342 N VAL A 48 -7.459 2.316 1.350 1.00 75.95 N \nATOM 343 CA VAL A 48 -6.173 2.485 0.693 1.00 75.95 C \nATOM 344 C VAL A 48 -5.532 3.733 1.262 1.00 75.95 C \nATOM 345 O VAL A 48 -6.152 4.811 1.303 1.00 75.95 O \nATOM 346 CB VAL A 48 -6.290 2.653 -0.839 1.00 75.95 C \nATOM 347 CG1 VAL A 48 -4.891 2.933 -1.453 1.00 75.95 C \nATOM 348 CG2 VAL A 48 -6.961 1.402 -1.429 1.00 75.95 C \nATOM 349 N ILE A 49 -4.358 3.574 1.793 1.00 77.94 N \nATOM 350 CA ILE A 49 -3.590 4.696 2.351 1.00 77.94 C \nATOM 351 C ILE A 49 -2.325 4.901 1.539 1.00 77.94 C \nATOM 352 O ILE A 49 -1.564 3.940 1.339 1.00 77.94 O \nATOM 353 CB ILE A 49 -3.221 4.450 3.826 1.00 77.94 C \nATOM 354 CG1 ILE A 49 -4.547 4.208 4.612 1.00 77.94 C \nATOM 355 CG2 ILE A 49 -2.437 5.672 4.349 1.00 77.94 C \nATOM 356 CD1 ILE A 49 -4.277 3.770 6.051 1.00 77.94 C \nATOM 357 N VAL A 50 -2.111 6.089 1.061 1.00 76.38 N \nATOM 358 CA VAL A 50 -0.902 6.434 0.315 1.00 76.38 C \nATOM 359 C VAL A 50 -0.183 7.544 1.036 1.00 76.38 C \nATOM 360 O VAL A 50 -0.805 8.556 1.345 1.00 76.38 O \nATOM 361 CB VAL A 50 -1.211 6.868 -1.123 1.00 76.38 C \nATOM 362 CG1 VAL A 50 0.091 7.242 -1.854 1.00 76.38 C \nATOM 363 CG2 VAL A 50 -1.985 5.760 -1.877 1.00 76.38 C \nATOM 364 N ILE A 51 1.099 7.310 1.317 1.00 75.78 N \nATOM 365 CA ILE A 51 1.917 8.332 1.967 1.00 75.78 C \nATOM 366 C ILE A 51 3.160 8.571 1.123 1.00 75.78 C \nATOM 367 O ILE A 51 3.860 7.621 0.773 1.00 75.78 O \nATOM 368 CB ILE A 51 2.338 7.919 3.387 1.00 75.78 C \nATOM 369 CG1 ILE A 51 1.089 7.709 4.228 1.00 75.78 C \nATOM 370 CG2 ILE A 51 3.238 8.996 3.992 1.00 75.78 C \nATOM 371 CD1 ILE A 51 1.368 7.133 5.606 1.00 75.78 C \nATOM 372 N VAL A 52 3.412 9.783 0.775 1.00 77.16 N \nATOM 373 CA VAL A 52 4.631 10.166 0.111 1.00 77.16 C \nATOM 374 C VAL A 52 5.388 11.038 1.047 1.00 77.16 C \nATOM 375 O VAL A 52 5.008 12.189 1.274 1.00 77.16 O \nATOM 376 CB VAL A 52 4.390 10.876 -1.215 1.00 77.16 C \nATOM 377 CG1 VAL A 52 5.724 11.240 -1.860 1.00 77.16 C \nATOM 378 CG2 VAL A 52 3.529 9.959 -2.120 1.00 77.16 C \nATOM 379 N GLY A 53 6.482 10.560 1.597 1.00 76.55 N \nATOM 380 CA GLY A 53 7.230 11.275 2.634 1.00 76.55 C \nATOM 381 C GLY A 53 8.687 11.441 2.262 1.00 76.55 C \nATOM 382 O GLY A 53 9.134 10.980 1.215 1.00 76.55 O \nATOM 383 N ASP A 54 9.476 12.025 3.143 1.00 75.05 N \nATOM 384 CA ASP A 54 10.914 12.200 2.924 1.00 75.05 C \nATOM 385 C ASP A 54 11.602 10.838 2.870 1.00 75.05 C \nATOM 386 O ASP A 54 11.337 9.972 3.704 1.00 75.05 O \nATOM 387 CB ASP A 54 11.545 13.028 4.036 1.00 75.05 C \nATOM 388 CG ASP A 54 11.087 14.400 4.031 1.00 75.05 C \nATOM 389 OD1 ASP A 54 10.672 14.901 2.998 1.00 75.05 O \nATOM 390 OD2 ASP A 54 11.154 15.017 5.091 1.00 75.05 O \nATOM 391 N ASN A 55 12.425 10.655 1.879 1.00 71.59 N \nATOM 392 CA ASN A 55 13.214 9.469 1.783 1.00 71.59 C \nATOM 393 C ASN A 55 14.350 9.535 2.718 1.00 71.59 C \nATOM 394 O ASN A 55 14.948 10.580 2.924 1.00 71.59 O \nATOM 395 CB ASN A 55 13.662 9.289 0.375 1.00 71.59 C \nATOM 396 CG ASN A 55 14.371 7.936 0.147 1.00 71.59 C \nATOM 397 OD1 ASN A 55 14.186 6.967 0.964 1.00 71.59 O \nATOM 398 ND2 ASN A 55 15.146 7.879 -0.994 1.00 71.59 N \nATOM 399 N THR A 56 14.750 8.410 3.344 1.00 73.10 N \nATOM 400 CA THR A 56 15.892 8.351 4.221 1.00 73.10 C \nATOM 401 C THR A 56 16.990 7.539 3.516 1.00 73.10 C \nATOM 402 O THR A 56 16.775 6.920 2.479 1.00 73.10 O \nATOM 403 CB THR A 56 15.541 7.653 5.538 1.00 73.10 C \nATOM 404 OG1 THR A 56 15.329 6.263 5.366 1.00 73.10 O \nATOM 405 CG2 THR A 56 14.269 8.257 6.129 1.00 73.10 C \nATOM 406 N ASP A 57 18.171 7.582 4.147 1.00 77.56 N \nATOM 407 CA ASP A 57 19.320 6.801 3.637 1.00 77.56 C \nATOM 408 C ASP A 57 19.162 5.316 4.010 1.00 77.56 C \nATOM 409 O ASP A 57 19.953 4.486 3.529 1.00 77.56 O \nATOM 410 CB ASP A 57 20.650 7.326 4.170 1.00 77.56 C \nATOM 411 CG ASP A 57 20.976 8.679 3.632 1.00 77.56 C \nATOM 412 OD1 ASP A 57 20.587 8.951 2.441 1.00 77.56 O \nATOM 413 OD2 ASP A 57 21.647 9.445 4.378 1.00 77.56 O \nATOM 414 N GLU A 58 18.137 4.968 4.848 1.00 78.95 N \nATOM 415 CA GLU A 58 17.935 3.589 5.207 1.00 78.95 C \nATOM 416 C GLU A 58 17.522 2.801 3.984 1.00 78.95 C \nATOM 417 O GLU A 58 16.744 3.284 3.158 1.00 78.95 O \nATOM 418 CB GLU A 58 16.919 3.429 6.283 1.00 78.95 C \nATOM 419 CG GLU A 58 17.354 4.045 7.650 1.00 78.95 C \nATOM 420 CD GLU A 58 16.227 3.814 8.666 1.00 78.95 C \nATOM 421 OE1 GLU A 58 15.203 4.494 8.571 1.00 78.95 O \nATOM 422 OE2 GLU A 58 16.395 2.903 9.518 1.00 78.95 O \nATOM 423 N ALA A 59 18.026 1.576 3.837 1.00 80.24 N \nATOM 424 CA ALA A 59 17.620 0.691 2.788 1.00 80.24 C \nATOM 425 C ALA A 59 16.157 0.226 2.981 1.00 80.24 C \nATOM 426 O ALA A 59 15.691 0.073 4.082 1.00 80.24 O \nATOM 427 CB ALA A 59 18.563 -0.525 2.765 1.00 80.24 C \nATOM 428 N LEU A 60 15.441 0.041 1.828 1.00 80.44 N \nATOM 429 CA LEU A 60 14.044 -0.368 1.923 1.00 80.44 C \nATOM 430 C LEU A 60 13.823 -1.640 2.741 1.00 80.44 C \nATOM 431 O LEU A 60 12.802 -1.733 3.486 1.00 80.44 O \nATOM 432 CB LEU A 60 13.405 -0.526 0.514 1.00 80.44 C \nATOM 433 CG LEU A 60 13.162 0.820 -0.240 1.00 80.44 C \nATOM 434 CD1 LEU A 60 12.668 0.474 -1.706 1.00 80.44 C \nATOM 435 CD2 LEU A 60 12.132 1.667 0.521 1.00 80.44 C \nATOM 436 N PRO A 61 14.626 -2.648 2.656 1.00 80.37 N \nATOM 437 CA PRO A 61 14.441 -3.824 3.522 1.00 80.37 C \nATOM 438 C PRO A 61 14.445 -3.445 5.001 1.00 80.37 C \nATOM 439 O PRO A 61 13.661 -4.012 5.783 1.00 80.37 O \nATOM 440 CB PRO A 61 15.599 -4.702 3.220 1.00 80.37 C \nATOM 441 CG PRO A 61 15.932 -4.391 1.784 1.00 80.37 C \nATOM 442 CD PRO A 61 15.740 -2.843 1.719 1.00 80.37 C \nATOM 443 N VAL A 62 15.332 -2.484 5.413 1.00 84.27 N \nATOM 444 CA VAL A 62 15.350 -2.021 6.799 1.00 84.27 C \nATOM 445 C VAL A 62 14.033 -1.322 7.153 1.00 84.27 C \nATOM 446 O VAL A 62 13.460 -1.553 8.238 1.00 84.27 O \nATOM 447 CB VAL A 62 16.560 -1.103 7.051 1.00 84.27 C \nATOM 448 CG1 VAL A 62 16.480 -0.425 8.406 1.00 84.27 C \nATOM 449 CG2 VAL A 62 17.872 -1.855 6.839 1.00 84.27 C \nATOM 450 N LEU A 63 13.551 -0.492 6.251 1.00 82.69 N \nATOM 451 CA LEU A 63 12.286 0.219 6.488 1.00 82.69 C \nATOM 452 C LEU A 63 11.106 -0.751 6.562 1.00 82.69 C \nATOM 453 O LEU A 63 10.224 -0.619 7.408 1.00 82.69 O \nATOM 454 CB LEU A 63 12.026 1.218 5.388 1.00 82.69 C \nATOM 455 CG LEU A 63 13.060 2.380 5.288 1.00 82.69 C \nATOM 456 CD1 LEU A 63 12.829 3.189 4.038 1.00 82.69 C \nATOM 457 CD2 LEU A 63 12.970 3.222 6.524 1.00 82.69 C \nATOM 458 N ALA A 64 11.117 -1.782 5.706 1.00 81.53 N \nATOM 459 CA ALA A 64 10.080 -2.805 5.745 1.00 81.53 C \nATOM 460 C ALA A 64 10.109 -3.589 7.050 1.00 81.53 C \nATOM 461 O ALA A 64 9.068 -3.870 7.645 1.00 81.53 O \nATOM 462 CB ALA A 64 10.216 -3.725 4.573 1.00 81.53 C \nATOM 463 N ASN A 65 11.313 -3.951 7.503 1.00 82.84 N \nATOM 464 CA ASN A 65 11.452 -4.667 8.777 1.00 82.84 C \nATOM 465 C ASN A 65 11.024 -3.786 9.955 1.00 82.84 C \nATOM 466 O ASN A 65 10.413 -4.288 10.890 1.00 82.84 O \nATOM 467 CB ASN A 65 12.857 -5.153 8.978 1.00 82.84 C \nATOM 468 CG ASN A 65 13.228 -6.299 8.035 1.00 82.84 C \nATOM 469 OD1 ASN A 65 12.364 -7.037 7.570 1.00 82.84 O \nATOM 470 ND2 ASN A 65 14.536 -6.473 7.772 1.00 82.84 N \nATOM 471 N ARG A 66 11.270 -2.529 9.895 1.00 82.51 N \nATOM 472 CA ARG A 66 10.847 -1.573 10.954 1.00 82.51 C \nATOM 473 C ARG A 66 9.331 -1.510 11.001 1.00 82.51 C \nATOM 474 O ARG A 66 8.736 -1.538 12.075 1.00 82.51 O \nATOM 475 CB ARG A 66 11.427 -0.186 10.730 1.00 82.51 C \nATOM 476 CG ARG A 66 11.074 0.811 11.834 1.00 82.51 C \nATOM 477 CD ARG A 66 11.656 2.183 11.587 1.00 82.51 C \nATOM 478 NE ARG A 66 13.140 2.127 11.535 1.00 82.51 N \nATOM 479 CZ ARG A 66 13.938 3.157 11.175 1.00 82.51 C \nATOM 480 NH1 ARG A 66 13.371 4.324 10.683 1.00 82.51 N \nATOM 481 NH2 ARG A 66 15.269 3.020 11.181 1.00 82.51 N \nATOM 482 N LEU A 67 8.718 -1.455 9.836 1.00 81.50 N \nATOM 483 CA LEU A 67 7.269 -1.416 9.755 1.00 81.50 C \nATOM 484 C LEU A 67 6.624 -2.716 10.301 1.00 81.50 C \nATOM 485 O LEU A 67 5.615 -2.692 11.014 1.00 81.50 O \nATOM 486 CB LEU A 67 6.813 -1.180 8.304 1.00 81.50 C \nATOM 487 CG LEU A 67 5.307 -1.205 8.025 1.00 81.50 C \nATOM 488 CD1 LEU A 67 4.615 -0.099 8.863 1.00 81.50 C \nATOM 489 CD2 LEU A 67 5.025 -1.042 6.526 1.00 81.50 C \nATOM 490 N LEU A 68 7.233 -3.832 9.977 1.00 81.79 N \nATOM 491 CA LEU A 68 6.779 -5.129 10.530 1.00 81.79 C \nATOM 492 C LEU A 68 6.798 -5.147 12.042 1.00 81.79 C \nATOM 493 O LEU A 68 5.818 -5.563 12.659 1.00 81.79 O \nATOM 494 CB LEU A 68 7.636 -6.247 9.964 1.00 81.79 C \nATOM 495 CG LEU A 68 7.320 -7.657 10.484 1.00 81.79 C \nATOM 496 CD1 LEU A 68 5.932 -8.062 10.165 1.00 81.79 C \nATOM 497 CD2 LEU A 68 8.359 -8.650 9.901 1.00 81.79 C \nATOM 498 N GLU A 69 7.896 -4.686 12.617 1.00 85.29 N \nATOM 499 CA GLU A 69 7.987 -4.639 14.050 1.00 85.29 C \nATOM 500 C GLU A 69 6.955 -3.704 14.660 1.00 85.29 C \nATOM 501 O GLU A 69 6.388 -4.013 15.746 1.00 85.29 O \nATOM 502 CB GLU A 69 9.402 -4.253 14.526 1.00 85.29 C \nATOM 503 CG GLU A 69 10.461 -5.279 14.207 1.00 85.29 C \nATOM 504 CD GLU A 69 10.169 -6.677 14.802 1.00 85.29 C \nATOM 505 OE1 GLU A 69 9.701 -6.693 15.975 1.00 85.29 O \nATOM 506 OE2 GLU A 69 10.283 -7.710 14.087 1.00 85.29 O \nATOM 507 N GLN A 70 6.767 -2.594 14.072 1.00 83.36 N \nATOM 508 CA GLN A 70 5.759 -1.649 14.557 1.00 83.36 C \nATOM 509 C GLN A 70 4.368 -2.270 14.489 1.00 83.36 C \nATOM 510 O GLN A 70 3.572 -2.097 15.426 1.00 83.36 O \nATOM 511 CB GLN A 70 5.776 -0.351 13.751 1.00 83.36 C \nATOM 512 CG GLN A 70 6.991 0.510 14.021 1.00 83.36 C \nATOM 513 CD GLN A 70 7.068 1.698 13.114 1.00 83.36 C \nATOM 514 OE1 GLN A 70 6.344 1.819 12.098 1.00 83.36 O \nATOM 515 NE2 GLN A 70 8.000 2.628 13.431 1.00 83.36 N \nATOM 516 N GLN A 71 4.070 -3.022 13.462 1.00 80.21 N \nATOM 517 CA GLN A 71 2.785 -3.693 13.351 1.00 80.21 C \nATOM 518 C GLN A 71 2.653 -4.811 14.354 1.00 80.21 C \nATOM 519 O GLN A 71 1.584 -4.954 14.962 1.00 80.21 O \nATOM 520 CB GLN A 71 2.553 -4.250 11.945 1.00 80.21 C \nATOM 521 CG GLN A 71 2.321 -3.134 10.917 1.00 80.21 C \nATOM 522 CD GLN A 71 2.139 -3.676 9.493 1.00 80.21 C \nATOM 523 OE1 GLN A 71 2.671 -4.763 9.177 1.00 80.21 O \nATOM 524 NE2 GLN A 71 1.459 -2.970 8.641 1.00 80.21 N \nATOM 525 N ARG A 72 3.686 -5.539 14.565 1.00 82.57 N \nATOM 526 CA ARG A 72 3.678 -6.580 15.587 1.00 82.57 C \nATOM 527 C ARG A 72 3.506 -6.003 16.984 1.00 82.57 C \nATOM 528 O ARG A 72 2.849 -6.607 17.816 1.00 82.57 O \nATOM 529 CB ARG A 72 4.917 -7.431 15.533 1.00 82.57 C \nATOM 530 CG ARG A 72 4.938 -8.434 14.404 1.00 82.57 C \nATOM 531 CD ARG A 72 6.245 -9.137 14.322 1.00 82.57 C \nATOM 532 NE ARG A 72 6.228 -10.233 13.428 1.00 82.57 N \nATOM 533 CZ ARG A 72 7.277 -10.815 12.914 1.00 82.57 C \nATOM 534 NH1 ARG A 72 8.529 -10.327 13.174 1.00 82.57 N \nATOM 535 NH2 ARG A 72 7.166 -11.884 12.071 1.00 82.57 N \nATOM 536 N SER A 73 4.077 -4.826 17.288 1.00 81.63 N \nATOM 537 CA SER A 73 3.922 -4.230 18.585 1.00 81.63 C \nATOM 538 C SER A 73 2.500 -3.777 18.833 1.00 81.63 C \nATOM 539 O SER A 73 2.058 -3.750 19.984 1.00 81.63 O \nATOM 540 CB SER A 73 4.919 -3.094 18.775 1.00 81.63 C \nATOM 541 OG SER A 73 4.368 -1.841 18.583 1.00 81.63 O \nATOM 542 N ARG A 74 1.757 -3.373 17.759 1.00 77.68 N \nATOM 543 CA ARG A 74 0.383 -2.956 17.878 1.00 77.68 C \nATOM 544 C ARG A 74 -0.577 -4.116 17.881 1.00 77.68 C \nATOM 545 O ARG A 74 -1.679 -4.014 18.386 1.00 77.68 O \nATOM 546 CB ARG A 74 0.041 -2.027 16.744 1.00 77.68 C \nATOM 547 CG ARG A 74 0.602 -0.623 16.871 1.00 77.68 C \nATOM 548 CD ARG A 74 0.244 0.305 15.759 1.00 77.68 C \nATOM 549 NE ARG A 74 0.980 -0.002 14.648 1.00 77.68 N \nATOM 550 CZ ARG A 74 0.796 0.452 13.489 1.00 77.68 C \nATOM 551 NH1 ARG A 74 -0.225 1.226 13.222 1.00 77.68 N \nATOM 552 NH2 ARG A 74 1.537 0.095 12.462 1.00 77.68 N \nATOM 553 N ASP A 75 -0.203 -5.247 17.217 1.00 77.05 N \nATOM 554 CA ASP A 75 -1.061 -6.410 17.109 1.00 77.05 C \nATOM 555 C ASP A 75 -0.212 -7.645 17.276 1.00 77.05 C \nATOM 556 O ASP A 75 0.395 -8.115 16.309 1.00 77.05 O \nATOM 557 CB ASP A 75 -1.801 -6.397 15.785 1.00 77.05 C \nATOM 558 CG ASP A 75 -2.802 -7.502 15.616 1.00 77.05 C \nATOM 559 OD1 ASP A 75 -2.824 -8.392 16.519 1.00 77.05 O \nATOM 560 OD2 ASP A 75 -3.548 -7.488 14.638 1.00 77.05 O \nATOM 561 N PRO A 76 -0.197 -8.237 18.407 1.00 76.20 N \nATOM 562 CA PRO A 76 0.594 -9.474 18.627 1.00 76.20 C \nATOM 563 C PRO A 76 0.154 -10.645 17.790 1.00 76.20 C \nATOM 564 O PRO A 76 0.906 -11.624 17.652 1.00 76.20 O \nATOM 565 CB PRO A 76 0.425 -9.756 20.108 1.00 76.20 C \nATOM 566 CG PRO A 76 0.047 -8.408 20.711 1.00 76.20 C \nATOM 567 CD PRO A 76 -0.760 -7.714 19.671 1.00 76.20 C \nATOM 568 N GLN A 77 -1.019 -10.571 17.167 1.00 77.39 N \nATOM 569 CA GLN A 77 -1.558 -11.654 16.349 1.00 77.39 C \nATOM 570 C GLN A 77 -1.316 -11.443 14.883 1.00 77.39 C \nATOM 571 O GLN A 77 -1.904 -12.156 14.033 1.00 77.39 O \nATOM 572 CB GLN A 77 -3.038 -11.880 16.625 1.00 77.39 C \nATOM 573 CG GLN A 77 -3.260 -12.255 18.034 1.00 77.39 C \nATOM 574 CD GLN A 77 -4.731 -12.562 18.283 1.00 77.39 C \nATOM 575 OE1 GLN A 77 -5.639 -12.302 17.497 1.00 77.39 O \nATOM 576 NE2 GLN A 77 -4.935 -13.148 19.407 1.00 77.39 N \nATOM 577 N LEU A 78 -0.452 -10.492 14.560 1.00 78.23 N \nATOM 578 CA LEU A 78 -0.142 -10.259 13.188 1.00 78.23 C \nATOM 579 C LEU A 78 0.559 -11.455 12.590 1.00 78.23 C \nATOM 580 O LEU A 78 1.491 -12.036 13.140 1.00 78.23 O \nATOM 581 CB LEU A 78 0.733 -9.020 13.046 1.00 78.23 C \nATOM 582 CG LEU A 78 1.165 -8.583 11.634 1.00 78.23 C \nATOM 583 CD1 LEU A 78 1.298 -7.050 11.613 1.00 78.23 C \nATOM 584 CD2 LEU A 78 2.479 -9.201 11.193 1.00 78.23 C \nATOM 585 N GLN A 79 0.056 -11.869 11.474 1.00 78.41 N \nATOM 586 CA GLN A 79 0.637 -12.996 10.746 1.00 78.41 C \nATOM 587 C GLN A 79 1.189 -12.487 9.444 1.00 78.41 C \nATOM 588 O GLN A 79 0.443 -12.034 8.575 1.00 78.41 O \nATOM 589 CB GLN A 79 -0.393 -14.084 10.494 1.00 78.41 C \nATOM 590 CG GLN A 79 0.176 -15.299 9.767 1.00 78.41 C \nATOM 591 CD GLN A 79 -0.907 -16.292 9.375 1.00 78.41 C \nATOM 592 OE1 GLN A 79 -2.119 -16.183 9.686 1.00 78.41 O \nATOM 593 NE2 GLN A 79 -0.468 -17.319 8.634 1.00 78.41 N \nATOM 594 N VAL A 80 2.508 -12.590 9.227 1.00 77.17 N \nATOM 595 CA VAL A 80 3.150 -12.148 8.006 1.00 77.17 C \nATOM 596 C VAL A 80 2.987 -13.206 6.932 1.00 77.17 C \nATOM 597 O VAL A 80 3.403 -14.349 7.111 1.00 77.17 O \nATOM 598 CB VAL A 80 4.628 -11.861 8.225 1.00 77.17 C \nATOM 599 CG1 VAL A 80 5.345 -11.486 6.878 1.00 77.17 C \nATOM 600 CG2 VAL A 80 4.760 -10.740 9.235 1.00 77.17 C \nATOM 601 N VAL A 81 2.371 -12.844 5.879 1.00 75.36 N \nATOM 602 CA VAL A 81 2.153 -13.787 4.775 1.00 75.36 C \nATOM 603 C VAL A 81 3.305 -13.668 3.771 1.00 75.36 C \nATOM 604 O VAL A 81 3.825 -14.683 3.283 1.00 75.36 O \nATOM 605 CB VAL A 81 0.778 -13.476 4.064 1.00 75.36 C \nATOM 606 CG1 VAL A 81 0.595 -14.296 2.794 1.00 75.36 C \nATOM 607 CG2 VAL A 81 -0.403 -13.608 5.065 1.00 75.36 C \nATOM 608 N THR A 82 3.693 -12.427 3.491 1.00 74.49 N \nATOM 609 CA THR A 82 4.765 -12.181 2.515 1.00 74.49 C \nATOM 610 C THR A 82 5.559 -10.958 2.962 1.00 74.49 C \nATOM 611 O THR A 82 5.003 -9.935 3.367 1.00 74.49 O \nATOM 612 CB THR A 82 4.263 -11.935 1.075 1.00 74.49 C \nATOM 613 OG1 THR A 82 3.490 -13.096 0.682 1.00 74.49 O \nATOM 614 CG2 THR A 82 5.425 -11.733 0.113 1.00 74.49 C \nATOM 615 N ASN A 83 6.906 -11.119 2.922 1.00 80.48 N \nATOM 616 CA ASN A 83 7.786 -9.986 3.187 1.00 80.48 C \nATOM 617 C ASN A 83 8.991 -10.161 2.301 1.00 80.48 C \nATOM 618 O ASN A 83 9.896 -10.920 2.649 1.00 80.48 O \nATOM 619 CB ASN A 83 8.176 -9.905 4.641 1.00 80.48 C \nATOM 620 CG ASN A 83 9.008 -8.704 4.981 1.00 80.48 C \nATOM 621 OD1 ASN A 83 9.137 -7.750 4.196 1.00 80.48 O \nATOM 622 ND2 ASN A 83 9.531 -8.656 6.182 1.00 80.48 N \nATOM 623 N LYS A 84 9.014 -9.473 1.132 1.00 74.54 N \nATOM 624 CA LYS A 84 10.091 -9.714 0.195 1.00 74.54 C \nATOM 625 C LYS A 84 10.364 -8.482 -0.672 1.00 74.54 C \nATOM 626 O LYS A 84 9.506 -7.561 -0.761 1.00 74.54 O \nATOM 627 CB LYS A 84 9.770 -10.937 -0.719 1.00 74.54 C \nATOM 628 CG LYS A 84 8.613 -10.769 -1.680 1.00 74.54 C \nATOM 629 CD LYS A 84 8.396 -12.014 -2.460 1.00 74.54 C \nATOM 630 CE LYS A 84 7.230 -11.828 -3.394 1.00 74.54 C \nATOM 631 NZ LYS A 84 6.991 -13.107 -4.257 1.00 74.54 N \nATOM 632 N SER A 85 11.468 -8.426 -1.320 1.00 77.00 N \nATOM 633 CA SER A 85 11.789 -7.443 -2.320 1.00 77.00 C \nATOM 634 C SER A 85 11.270 -7.915 -3.672 1.00 77.00 C \nATOM 635 O SER A 85 11.369 -9.107 -4.006 1.00 77.00 O \nATOM 636 CB SER A 85 13.281 -7.218 -2.440 1.00 77.00 C \nATOM 637 OG SER A 85 13.828 -6.723 -1.194 1.00 77.00 O \nATOM 638 N ILE A 86 10.696 -6.973 -4.414 1.00 68.95 N \nATOM 639 CA ILE A 86 10.239 -7.267 -5.775 1.00 68.95 C \nATOM 640 C ILE A 86 10.722 -6.175 -6.701 1.00 68.95 C \nATOM 641 O ILE A 86 11.108 -5.086 -6.268 1.00 68.95 O \nATOM 642 CB ILE A 86 8.687 -7.363 -5.877 1.00 68.95 C \nATOM 643 CG1 ILE A 86 8.039 -6.063 -5.457 1.00 68.95 C \nATOM 644 CG2 ILE A 86 8.199 -8.468 -4.992 1.00 68.95 C \nATOM 645 CD1 ILE A 86 6.506 -6.020 -5.649 1.00 68.95 C \nATOM 646 N GLU A 87 10.778 -6.518 -8.029 1.00 71.75 N \nATOM 647 CA GLU A 87 11.101 -5.522 -9.037 1.00 71.75 C \nATOM 648 C GLU A 87 9.912 -5.328 -9.950 1.00 71.75 C \nATOM 649 O GLU A 87 9.313 -6.324 -10.416 1.00 71.75 O \nATOM 650 CB GLU A 87 12.333 -5.914 -9.842 1.00 71.75 C \nATOM 651 CG GLU A 87 13.614 -5.868 -9.045 1.00 71.75 C \nATOM 652 CD GLU A 87 14.856 -6.122 -9.871 1.00 71.75 C \nATOM 653 OE1 GLU A 87 14.751 -6.592 -11.042 1.00 71.75 O \nATOM 654 OE2 GLU A 87 16.016 -5.850 -9.373 1.00 71.75 O \nATOM 655 N LEU A 88 9.536 -4.059 -10.126 1.00 62.07 N \nATOM 656 CA LEU A 88 8.434 -3.677 -11.021 1.00 62.07 C \nATOM 657 C LEU A 88 8.923 -2.612 -11.930 1.00 62.07 C \nATOM 658 O LEU A 88 9.223 -1.460 -11.511 1.00 62.07 O \nATOM 659 CB LEU A 88 7.251 -3.140 -10.200 1.00 62.07 C \nATOM 660 CG LEU A 88 6.616 -4.138 -9.207 1.00 62.07 C \nATOM 661 CD1 LEU A 88 5.551 -3.442 -8.367 1.00 62.07 C \nATOM 662 CD2 LEU A 88 6.042 -5.344 -9.920 1.00 62.07 C \nATOM 663 N LYS A 89 9.047 -2.965 -13.231 1.00 57.73 N \nATOM 664 CA LYS A 89 9.476 -2.009 -14.233 1.00 57.73 C \nATOM 665 C LYS A 89 10.788 -1.264 -13.882 1.00 57.73 C \nATOM 666 O LYS A 89 10.893 -0.015 -13.992 1.00 57.73 O \nATOM 667 CB LYS A 89 8.370 -0.984 -14.617 1.00 57.73 C \nATOM 668 CG LYS A 89 7.043 -1.632 -15.056 1.00 57.73 C \nATOM 669 CD LYS A 89 7.185 -2.209 -16.447 1.00 57.73 C \nATOM 670 CE LYS A 89 5.817 -2.750 -16.911 1.00 57.73 C \nATOM 671 NZ LYS A 89 5.723 -3.114 -18.310 1.00 57.73 N \nATOM 672 N GLY A 90 11.738 -1.998 -13.398 1.00 61.32 N \nATOM 673 CA GLY A 90 13.052 -1.424 -13.042 1.00 61.32 C \nATOM 674 C GLY A 90 13.170 -0.824 -11.644 1.00 61.32 C \nATOM 675 O GLY A 90 14.217 -0.369 -11.253 1.00 61.32 O \nATOM 676 N HIS A 91 12.103 -0.848 -10.897 1.00 64.77 N \nATOM 677 CA HIS A 91 12.126 -0.322 -9.541 1.00 64.77 C \nATOM 678 C HIS A 91 12.153 -1.457 -8.543 1.00 64.77 C \nATOM 679 O HIS A 91 11.432 -2.450 -8.662 1.00 64.77 O \nATOM 680 CB HIS A 91 10.926 0.545 -9.256 1.00 64.77 C \nATOM 681 CG HIS A 91 10.797 1.739 -10.173 1.00 64.77 C \nATOM 682 ND1 HIS A 91 11.441 2.887 -9.892 1.00 64.77 N \nATOM 683 CD2 HIS A 91 10.103 1.894 -11.321 1.00 64.77 C \nATOM 684 CE1 HIS A 91 11.139 3.750 -10.833 1.00 64.77 C \nATOM 685 NE2 HIS A 91 10.344 3.144 -11.731 1.00 64.77 N \nATOM 686 N THR A 92 12.998 -1.319 -7.522 1.00 73.01 N \nATOM 687 CA THR A 92 13.019 -2.274 -6.440 1.00 73.01 C \nATOM 688 C THR A 92 12.047 -1.830 -5.370 1.00 73.01 C \nATOM 689 O THR A 92 12.128 -0.691 -4.875 1.00 73.01 O \nATOM 690 CB THR A 92 14.428 -2.408 -5.857 1.00 73.01 C \nATOM 691 OG1 THR A 92 15.302 -2.842 -6.922 1.00 73.01 O \nATOM 692 CG2 THR A 92 14.397 -3.460 -4.711 1.00 73.01 C \nATOM 693 N LEU A 93 11.108 -2.712 -5.046 1.00 72.11 N \nATOM 694 CA LEU A 93 10.089 -2.396 -4.040 1.00 72.11 C \nATOM 695 C LEU A 93 10.096 -3.440 -2.953 1.00 72.11 C \nATOM 696 O LEU A 93 10.521 -4.605 -3.151 1.00 72.11 O \nATOM 697 CB LEU A 93 8.701 -2.318 -4.680 1.00 72.11 C \nATOM 698 CG LEU A 93 8.552 -1.328 -5.864 1.00 72.11 C \nATOM 699 CD1 LEU A 93 7.127 -1.465 -6.474 1.00 72.11 C \nATOM 700 CD2 LEU A 93 8.884 0.085 -5.405 1.00 72.11 C \nATOM 701 N GLN A 94 9.610 -3.050 -1.757 1.00 77.86 N \nATOM 702 CA GLN A 94 9.438 -3.970 -0.656 1.00 77.86 C \nATOM 703 C GLN A 94 7.947 -4.244 -0.523 1.00 77.86 C \nATOM 704 O GLN A 94 7.153 -3.307 -0.452 1.00 77.86 O \nATOM 705 CB GLN A 94 9.974 -3.396 0.680 1.00 77.86 C \nATOM 706 CG GLN A 94 11.420 -3.115 0.693 1.00 77.86 C \nATOM 707 CD GLN A 94 12.292 -4.390 0.429 1.00 77.86 C \nATOM 708 OE1 GLN A 94 12.058 -5.454 0.992 1.00 77.86 O \nATOM 709 NE2 GLN A 94 13.255 -4.267 -0.434 1.00 77.86 N \nATOM 710 N GLN A 95 7.608 -5.491 -0.481 1.00 74.56 N \nATOM 711 CA GLN A 95 6.253 -5.886 -0.334 1.00 74.56 C \nATOM 712 C GLN A 95 6.061 -6.575 0.995 1.00 74.56 C \nATOM 713 O GLN A 95 6.770 -7.444 1.371 1.00 74.56 O \nATOM 714 CB GLN A 95 5.840 -6.814 -1.460 1.00 74.56 C \nATOM 715 CG GLN A 95 4.430 -7.282 -1.348 1.00 74.56 C \nATOM 716 CD GLN A 95 4.038 -8.079 -2.560 1.00 74.56 C \nATOM 717 OE1 GLN A 95 4.604 -8.024 -3.590 1.00 74.56 O \nATOM 718 NE2 GLN A 95 2.989 -8.839 -2.424 1.00 74.56 N \nATOM 719 N LEU A 96 5.088 -6.137 1.748 1.00 81.40 N \nATOM 720 CA LEU A 96 4.717 -6.741 3.003 1.00 81.40 C \nATOM 721 C LEU A 96 3.219 -7.032 3.004 1.00 81.40 C \nATOM 722 O LEU A 96 2.413 -6.113 2.951 1.00 81.40 O \nATOM 723 CB LEU A 96 5.056 -5.807 4.187 1.00 81.40 C \nATOM 724 CG LEU A 96 4.673 -6.265 5.572 1.00 81.40 C \nATOM 725 CD1 LEU A 96 5.394 -7.520 5.969 1.00 81.40 C \nATOM 726 CD2 LEU A 96 4.928 -5.180 6.600 1.00 81.40 C \nATOM 727 N ASP A 97 2.879 -8.317 3.046 1.00 77.92 N \nATOM 728 CA ASP A 97 1.480 -8.743 3.167 1.00 77.92 C \nATOM 729 C ASP A 97 1.302 -9.386 4.536 1.00 77.92 C \nATOM 730 O ASP A 97 2.150 -10.157 5.004 1.00 77.92 O \nATOM 731 CB ASP A 97 1.083 -9.709 2.057 1.00 77.92 C \nATOM 732 CG ASP A 97 1.093 -9.079 0.668 1.00 77.92 C \nATOM 733 OD1 ASP A 97 1.072 -7.786 0.585 1.00 77.92 O \nATOM 734 OD2 ASP A 97 1.081 -9.837 -0.364 1.00 77.92 O \nATOM 735 N SER A 98 0.157 -9.061 5.200 1.00 80.10 N \nATOM 736 CA SER A 98 -0.059 -9.584 6.510 1.00 80.10 C \nATOM 737 C SER A 98 -1.530 -9.742 6.810 1.00 80.10 C \nATOM 738 O SER A 98 -2.416 -9.176 6.120 1.00 80.10 O \nATOM 739 CB SER A 98 0.582 -8.711 7.550 1.00 80.10 C \nATOM 740 OG SER A 98 -0.030 -7.397 7.596 1.00 80.10 O \nATOM 741 N ILE A 99 -1.852 -10.546 7.786 1.00 79.81 N \nATOM 742 CA ILE A 99 -3.188 -10.660 8.365 1.00 79.81 C \nATOM 743 C ILE A 99 -3.121 -10.076 9.770 1.00 79.81 C \nATOM 744 O ILE A 99 -2.231 -10.412 10.557 1.00 79.81 O \nATOM 745 CB ILE A 99 -3.686 -12.119 8.365 1.00 79.81 C \nATOM 746 CG1 ILE A 99 -3.801 -12.590 6.887 1.00 79.81 C \nATOM 747 CG2 ILE A 99 -5.000 -12.232 9.137 1.00 79.81 C \nATOM 748 CD1 ILE A 99 -4.057 -14.089 6.720 1.00 79.81 C \nATOM 749 N ILE A 100 -4.032 -9.191 10.067 1.00 76.44 N \nATOM 750 CA ILE A 100 -4.069 -8.527 11.368 1.00 76.44 C \nATOM 751 C ILE A 100 -5.404 -8.724 12.006 1.00 76.44 C \nATOM 752 O ILE A 100 -6.468 -8.480 11.352 1.00 76.44 O \nATOM 753 CB ILE A 100 -3.777 -7.008 11.243 1.00 76.44 C \nATOM 754 CG1 ILE A 100 -2.365 -6.828 10.578 1.00 76.44 C \nATOM 755 CG2 ILE A 100 -3.881 -6.258 12.618 1.00 76.44 C \nATOM 756 CD1 ILE A 100 -2.070 -5.330 10.166 1.00 76.44 C \nATOM 757 N SER A 101 -5.469 -9.213 13.268 1.00 76.98 N \nATOM 758 CA SER A 101 -6.702 -9.333 14.033 1.00 76.98 C \nATOM 759 C SER A 101 -6.752 -8.239 15.088 1.00 76.98 C \nATOM 760 O SER A 101 -5.797 -8.036 15.863 1.00 76.98 O \nATOM 761 CB SER A 101 -6.797 -10.647 14.672 1.00 76.98 C \nATOM 762 OG SER A 101 -6.837 -11.660 13.644 1.00 76.98 O \nATOM 763 N ALA A 102 -7.815 -7.540 15.125 1.00 72.12 N \nATOM 764 CA ALA A 102 -7.999 -6.470 16.121 1.00 72.12 C \nATOM 765 C ALA A 102 -9.483 -6.306 16.402 1.00 72.12 C \nATOM 766 O ALA A 102 -10.285 -6.307 15.476 1.00 72.12 O \nATOM 767 CB ALA A 102 -7.372 -5.163 15.648 1.00 72.12 C \nATOM 768 N LYS A 103 -9.883 -6.090 17.673 1.00 72.62 N \nATOM 769 CA LYS A 103 -11.243 -5.861 18.094 1.00 72.62 C \nATOM 770 C LYS A 103 -12.215 -6.914 17.556 1.00 72.62 C \nATOM 771 O LYS A 103 -13.329 -6.657 17.097 1.00 72.62 O \nATOM 772 CB LYS A 103 -11.722 -4.443 17.684 1.00 72.62 C \nATOM 773 CG LYS A 103 -10.884 -3.338 18.397 1.00 72.62 C \nATOM 774 CD LYS A 103 -11.384 -1.943 18.080 1.00 72.62 C \nATOM 775 CE LYS A 103 -10.540 -0.851 18.685 1.00 72.62 C \nATOM 776 NZ LYS A 103 -11.117 0.511 18.485 1.00 72.62 N \nATOM 777 N GLY A 104 -11.789 -8.191 17.486 1.00 74.46 N \nATOM 778 CA GLY A 104 -12.623 -9.273 16.999 1.00 74.46 C \nATOM 779 C GLY A 104 -12.814 -9.294 15.507 1.00 74.46 C \nATOM 780 O GLY A 104 -13.649 -10.047 14.982 1.00 74.46 O \nATOM 781 N GLN A 105 -12.037 -8.447 14.784 1.00 76.05 N \nATOM 782 CA GLN A 105 -12.114 -8.401 13.325 1.00 76.05 C \nATOM 783 C GLN A 105 -10.762 -8.750 12.732 1.00 76.05 C \nATOM 784 O GLN A 105 -9.715 -8.426 13.311 1.00 76.05 O \nATOM 785 CB GLN A 105 -12.559 -7.017 12.821 1.00 76.05 C \nATOM 786 CG GLN A 105 -13.921 -6.567 13.337 1.00 76.05 C \nATOM 787 CD GLN A 105 -14.341 -5.181 12.776 1.00 76.05 C \nATOM 788 OE1 GLN A 105 -13.491 -4.378 12.226 1.00 76.05 O \nATOM 789 NE2 GLN A 105 -15.657 -4.902 12.961 1.00 76.05 N \nATOM 790 N THR A 106 -10.792 -9.437 11.596 1.00 77.39 N \nATOM 791 CA THR A 106 -9.557 -9.848 10.902 1.00 77.39 C \nATOM 792 C THR A 106 -9.495 -9.141 9.558 1.00 77.39 C \nATOM 793 O THR A 106 -10.492 -9.126 8.795 1.00 77.39 O \nATOM 794 CB THR A 106 -9.487 -11.369 10.708 1.00 77.39 C \nATOM 795 OG1 THR A 106 -9.515 -12.013 12.036 1.00 77.39 O \nATOM 796 CG2 THR A 106 -8.201 -11.808 10.019 1.00 77.39 C \nATOM 797 N ALA A 107 -8.329 -8.615 9.223 1.00 79.41 N \nATOM 798 CA ALA A 107 -8.146 -7.922 7.980 1.00 79.41 C \nATOM 799 C ALA A 107 -6.844 -8.381 7.300 1.00 79.41 C \nATOM 800 O ALA A 107 -5.884 -8.779 7.980 1.00 79.41 O \nATOM 801 CB ALA A 107 -8.079 -6.393 8.177 1.00 79.41 C \nATOM 802 N TYR A 108 -6.826 -8.321 6.004 1.00 79.42 N \nATOM 803 CA TYR A 108 -5.656 -8.554 5.171 1.00 79.42 C \nATOM 804 C TYR A 108 -5.077 -7.201 4.801 1.00 79.42 C \nATOM 805 O TYR A 108 -5.799 -6.328 4.323 1.00 79.42 O \nATOM 806 CB TYR A 108 -6.037 -9.374 3.923 1.00 79.42 C \nATOM 807 CG TYR A 108 -4.899 -9.541 2.947 1.00 79.42 C \nATOM 808 CD1 TYR A 108 -3.973 -10.592 3.108 1.00 79.42 C \nATOM 809 CD2 TYR A 108 -4.739 -8.698 1.831 1.00 79.42 C \nATOM 810 CE1 TYR A 108 -2.939 -10.785 2.196 1.00 79.42 C \nATOM 811 CE2 TYR A 108 -3.721 -8.905 0.927 1.00 79.42 C \nATOM 812 CZ TYR A 108 -2.820 -9.910 1.104 1.00 79.42 C \nATOM 813 OH TYR A 108 -1.797 -10.131 0.185 1.00 79.42 O \nATOM 814 N SER A 109 -3.766 -7.042 5.060 1.00 81.34 N \nATOM 815 CA SER A 109 -3.081 -5.785 4.722 1.00 81.34 C \nATOM 816 C SER A 109 -1.961 -6.062 3.720 1.00 81.34 C \nATOM 817 O SER A 109 -1.200 -7.022 3.880 1.00 81.34 O \nATOM 818 CB SER A 109 -2.500 -5.157 5.996 1.00 81.34 C \nATOM 819 OG SER A 109 -1.867 -3.899 5.654 1.00 81.34 O \nATOM 820 N SER A 110 -1.892 -5.227 2.683 1.00 78.13 N \nATOM 821 CA SER A 110 -0.828 -5.311 1.671 1.00 78.13 C \nATOM 822 C SER A 110 -0.123 -3.969 1.616 1.00 78.13 C \nATOM 823 O SER A 110 -0.762 -2.919 1.435 1.00 78.13 O \nATOM 824 CB SER A 110 -1.377 -5.673 0.311 1.00 78.13 C \nATOM 825 OG SER A 110 -0.302 -5.721 -0.685 1.00 78.13 O \nATOM 826 N ILE A 111 1.176 -4.015 1.804 1.00 80.72 N \nATOM 827 CA ILE A 111 1.961 -2.803 1.834 1.00 80.72 C \nATOM 828 C ILE A 111 3.086 -2.897 0.810 1.00 80.72 C \nATOM 829 O ILE A 111 3.770 -3.909 0.714 1.00 80.72 O \nATOM 830 CB ILE A 111 2.543 -2.565 3.230 1.00 80.72 C \nATOM 831 CG1 ILE A 111 1.418 -2.441 4.248 1.00 80.72 C \nATOM 832 CG2 ILE A 111 3.418 -1.319 3.206 1.00 80.72 C \nATOM 833 CD1 ILE A 111 1.866 -2.392 5.700 1.00 80.72 C \nATOM 834 N VAL A 112 3.265 -1.812 0.028 1.00 77.66 N \nATOM 835 CA VAL A 112 4.407 -1.714 -0.896 1.00 77.66 C \nATOM 836 C VAL A 112 5.195 -0.457 -0.574 1.00 77.66 C \nATOM 837 O VAL A 112 4.609 0.618 -0.461 1.00 77.66 O \nATOM 838 CB VAL A 112 3.934 -1.693 -2.359 1.00 77.66 C \nATOM 839 CG1 VAL A 112 5.157 -1.532 -3.338 1.00 77.66 C \nATOM 840 CG2 VAL A 112 3.180 -3.010 -2.674 1.00 77.66 C \nATOM 841 N LEU A 113 6.514 -0.606 -0.398 1.00 82.71 N \nATOM 842 CA LEU A 113 7.414 0.512 -0.144 1.00 82.71 C \nATOM 843 C LEU A 113 8.333 0.702 -1.318 1.00 82.71 C \nATOM 844 O LEU A 113 8.871 -0.274 -1.883 1.00 82.71 O \nATOM 845 CB LEU A 113 8.257 0.267 1.124 1.00 82.71 C \nATOM 846 CG LEU A 113 7.470 -0.001 2.443 1.00 82.71 C \nATOM 847 CD1 LEU A 113 8.480 -0.407 3.522 1.00 82.71 C \nATOM 848 CD2 LEU A 113 6.657 1.213 2.842 1.00 82.71 C \nATOM 849 N GLY A 114 8.603 1.936 -1.746 1.00 77.83 N \nATOM 850 CA GLY A 114 9.542 2.260 -2.802 1.00 77.83 C \nATOM 851 C GLY A 114 10.009 3.665 -2.706 1.00 77.83 C \nATOM 852 O GLY A 114 9.370 4.486 -2.021 1.00 77.83 O \nATOM 853 N LYS A 115 11.183 3.955 -3.397 1.00 77.06 N \nATOM 854 CA LYS A 115 11.706 5.321 -3.453 1.00 77.06 C \nATOM 855 C LYS A 115 11.383 5.934 -4.801 1.00 77.06 C \nATOM 856 O LYS A 115 11.649 5.323 -5.864 1.00 77.06 O \nATOM 857 CB LYS A 115 13.232 5.311 -3.219 1.00 77.06 C \nATOM 858 CG LYS A 115 13.624 4.942 -1.825 1.00 77.06 C \nATOM 859 CD LYS A 115 15.141 4.929 -1.633 1.00 77.06 C \nATOM 860 CE LYS A 115 15.554 4.547 -0.224 1.00 77.06 C \nATOM 861 NZ LYS A 115 17.095 4.512 -0.045 1.00 77.06 N \nATOM 862 N VAL A 116 10.773 7.133 -4.763 1.00 72.71 N \nATOM 863 CA VAL A 116 10.419 7.875 -5.960 1.00 72.71 C \nATOM 864 C VAL A 116 10.953 9.298 -5.816 1.00 72.71 C \nATOM 865 O VAL A 116 10.483 10.034 -4.892 1.00 72.71 O \nATOM 866 CB VAL A 116 8.873 7.919 -6.200 1.00 72.71 C \nATOM 867 CG1 VAL A 116 8.540 8.710 -7.449 1.00 72.71 C \nATOM 868 CG2 VAL A 116 8.313 6.456 -6.264 1.00 72.71 C \nATOM 869 N ASP A 117 11.890 9.697 -6.628 1.00 71.43 N \nATOM 870 CA ASP A 117 12.483 11.040 -6.617 1.00 71.43 C \nATOM 871 C ASP A 117 12.937 11.466 -5.229 1.00 71.43 C \nATOM 872 O ASP A 117 12.583 12.582 -4.757 1.00 71.43 O \nATOM 873 CB ASP A 117 11.562 12.115 -7.218 1.00 71.43 C \nATOM 874 CG ASP A 117 11.328 11.867 -8.745 1.00 71.43 C \nATOM 875 OD1 ASP A 117 12.201 11.134 -9.375 1.00 71.43 O \nATOM 876 OD2 ASP A 117 10.317 12.396 -9.345 1.00 71.43 O \nATOM 877 N ASN A 118 13.631 10.625 -4.571 1.00 75.14 N \nATOM 878 CA ASN A 118 14.137 10.828 -3.226 1.00 75.14 C \nATOM 879 C ASN A 118 13.089 10.990 -2.168 1.00 75.14 C \nATOM 880 O ASN A 118 13.373 11.610 -1.093 1.00 75.14 O \nATOM 881 CB ASN A 118 15.152 12.019 -3.197 1.00 75.14 C \nATOM 882 CG ASN A 118 16.372 11.777 -4.087 1.00 75.14 C \nATOM 883 OD1 ASN A 118 16.956 10.680 -4.000 1.00 75.14 O \nATOM 884 ND2 ASN A 118 16.735 12.794 -4.869 1.00 75.14 N \nATOM 885 N GLN A 119 11.926 10.472 -2.429 1.00 76.74 N \nATOM 886 CA GLN A 119 10.846 10.413 -1.457 1.00 76.74 C \nATOM 887 C GLN A 119 10.437 8.959 -1.210 1.00 76.74 C \nATOM 888 O GLN A 119 10.498 8.115 -2.107 1.00 76.74 O \nATOM 889 CB GLN A 119 9.658 11.242 -1.894 1.00 76.74 C \nATOM 890 CG GLN A 119 9.955 12.711 -1.922 1.00 76.74 C \nATOM 891 CD GLN A 119 8.699 13.527 -2.154 1.00 76.74 C \nATOM 892 OE1 GLN A 119 8.014 13.288 -3.150 1.00 76.74 O \nATOM 893 NE2 GLN A 119 8.380 14.457 -1.268 1.00 76.74 N \nATOM 894 N LEU A 120 9.999 8.616 0.045 1.00 79.47 N \nATOM 895 CA LEU A 120 9.539 7.302 0.398 1.00 79.47 C \nATOM 896 C LEU A 120 8.059 7.194 0.089 1.00 79.47 C \nATOM 897 O LEU A 120 7.231 7.967 0.654 1.00 79.47 O \nATOM 898 CB LEU A 120 9.757 7.002 1.876 1.00 79.47 C \nATOM 899 CG LEU A 120 9.253 5.684 2.400 1.00 79.47 C \nATOM 900 CD1 LEU A 120 9.964 4.469 1.708 1.00 79.47 C \nATOM 901 CD2 LEU A 120 9.421 5.627 3.973 1.00 79.47 C \nATOM 902 N LEU A 121 7.721 6.251 -0.802 1.00 77.91 N \nATOM 903 CA LEU A 121 6.339 5.964 -1.138 1.00 77.91 C \nATOM 904 C LEU A 121 5.835 4.758 -0.355 1.00 77.91 C \nATOM 905 O LEU A 121 6.453 3.675 -0.369 1.00 77.91 O \nATOM 906 CB LEU A 121 6.201 5.662 -2.635 1.00 77.91 C \nATOM 907 CG LEU A 121 4.833 5.099 -3.096 1.00 77.91 C \nATOM 908 CD1 LEU A 121 3.685 6.143 -2.866 1.00 77.91 C \nATOM 909 CD2 LEU A 121 4.899 4.710 -4.641 1.00 77.91 C \nATOM 910 N THR A 122 4.712 4.909 0.338 1.00 80.09 N \nATOM 911 CA THR A 122 4.063 3.801 1.017 1.00 80.09 C \nATOM 912 C THR A 122 2.636 3.684 0.490 1.00 80.09 C \nATOM 913 O THR A 122 1.886 4.676 0.491 1.00 80.09 O \nATOM 914 CB THR A 122 4.024 3.992 2.522 1.00 80.09 C \nATOM 915 OG1 THR A 122 5.372 4.110 3.028 1.00 80.09 O \nATOM 916 CG2 THR A 122 3.315 2.855 3.207 1.00 80.09 C \nATOM 917 N ILE A 123 2.278 2.460 0.011 1.00 77.88 N \nATOM 918 CA ILE A 123 0.915 2.159 -0.406 1.00 77.88 C \nATOM 919 C ILE A 123 0.416 1.019 0.443 1.00 77.88 C \nATOM 920 O ILE A 123 0.999 -0.081 0.459 1.00 77.88 O \nATOM 921 CB ILE A 123 0.812 1.777 -1.900 1.00 77.88 C \nATOM 922 CG1 ILE A 123 1.383 2.923 -2.784 1.00 77.88 C \nATOM 923 CG2 ILE A 123 -0.681 1.404 -2.288 1.00 77.88 C \nATOM 924 CD1 ILE A 123 1.478 2.545 -4.323 1.00 77.88 C \nATOM 925 N GLN A 124 -0.665 1.311 1.188 1.00 80.45 N \nATOM 926 CA GLN A 124 -1.238 0.272 2.039 1.00 80.45 C \nATOM 927 C GLN A 124 -2.685 0.034 1.635 1.00 80.45 C \nATOM 928 O GLN A 124 -3.454 0.975 1.535 1.00 80.45 O \nATOM 929 CB GLN A 124 -1.174 0.689 3.512 1.00 80.45 C \nATOM 930 CG GLN A 124 -1.818 -0.304 4.447 1.00 80.45 C \nATOM 931 CD GLN A 124 -1.604 0.029 5.902 1.00 80.45 C \nATOM 932 OE1 GLN A 124 -0.795 0.903 6.293 1.00 80.45 O \nATOM 933 NE2 GLN A 124 -2.311 -0.685 6.754 1.00 80.45 N \nATOM 934 N VAL A 125 -2.992 -1.256 1.413 1.00 79.16 N \nATOM 935 CA VAL A 125 -4.368 -1.684 1.137 1.00 79.16 C \nATOM 936 C VAL A 125 -4.823 -2.578 2.266 1.00 79.16 C \nATOM 937 O VAL A 125 -4.165 -3.548 2.627 1.00 79.16 O \nATOM 938 CB VAL A 125 -4.478 -2.413 -0.180 1.00 79.16 C \nATOM 939 CG1 VAL A 125 -5.870 -2.904 -0.407 1.00 79.16 C \nATOM 940 CG2 VAL A 125 -4.021 -1.506 -1.329 1.00 79.16 C \nATOM 941 N THR A 126 -5.977 -2.268 2.886 1.00 81.43 N \nATOM 942 CA THR A 126 -6.538 -3.103 3.948 1.00 81.43 C \nATOM 943 C THR A 126 -7.931 -3.548 3.554 1.00 81.43 C \nATOM 944 O THR A 126 -8.754 -2.740 3.145 1.00 81.43 O \nATOM 945 CB THR A 126 -6.589 -2.359 5.262 1.00 81.43 C \nATOM 946 OG1 THR A 126 -5.240 -1.986 5.616 1.00 81.43 O \nATOM 947 CG2 THR A 126 -7.110 -3.229 6.384 1.00 81.43 C \nATOM 948 N LEU A 127 -8.228 -4.866 3.627 1.00 74.35 N \nATOM 949 CA LEU A 127 -9.501 -5.446 3.252 1.00 74.35 C \nATOM 950 C LEU A 127 -9.906 -6.520 4.220 1.00 74.35 C \nATOM 951 O LEU A 127 -9.051 -7.105 4.907 1.00 74.35 O \nATOM 952 CB LEU A 127 -9.403 -6.047 1.835 1.00 74.35 C \nATOM 953 CG LEU A 127 -9.086 -5.077 0.673 1.00 74.35 C \nATOM 954 CD1 LEU A 127 -8.715 -5.851 -0.578 1.00 74.35 C \nATOM 955 CD2 LEU A 127 -10.256 -4.172 0.428 1.00 74.35 C \nATOM 956 N PRO A 128 -11.094 -6.881 4.270 1.00 76.30 N \nATOM 957 CA PRO A 128 -11.512 -8.012 5.098 1.00 76.30 C \nATOM 958 C PRO A 128 -10.768 -9.279 4.759 1.00 76.30 C \nATOM 959 O PRO A 128 -10.563 -9.611 3.596 1.00 76.30 O \nATOM 960 CB PRO A 128 -13.000 -8.135 4.782 1.00 76.30 C \nATOM 961 CG PRO A 128 -13.427 -6.788 4.320 1.00 76.30 C \nATOM 962 CD PRO A 128 -12.236 -6.235 3.580 1.00 76.30 C \nATOM 963 N ALA A 129 -10.445 -10.052 5.770 1.00 73.97 N \nATOM 964 CA ALA A 129 -9.667 -11.283 5.607 1.00 73.97 C \nATOM 965 C ALA A 129 -10.524 -12.471 5.115 1.00 73.97 C \nATOM 966 O ALA A 129 -9.943 -13.448 4.605 1.00 73.97 O \nATOM 967 CB ALA A 129 -8.939 -11.672 6.862 1.00 73.97 C \nATOM 968 N ASP A 130 -11.837 -12.382 5.246 1.00 70.87 N \nATOM 969 CA ASP A 130 -12.694 -13.486 4.862 1.00 70.87 C \nATOM 970 C ASP A 130 -12.678 -13.762 3.345 1.00 70.87 C \nATOM 971 O ASP A 130 -13.225 -14.783 2.903 1.00 70.87 O \nATOM 972 CB ASP A 130 -14.128 -13.271 5.349 1.00 70.87 C \nATOM 973 CG ASP A 130 -14.795 -12.003 4.761 1.00 70.87 C \nATOM 974 OD1 ASP A 130 -14.189 -11.246 4.060 1.00 70.87 O \nATOM 975 OD2 ASP A 130 -16.007 -11.862 5.079 1.00 70.87 O \nATOM 976 N ASN A 131 -12.118 -12.791 2.597 1.00 71.99 N \nATOM 977 CA ASN A 131 -11.944 -13.007 1.150 1.00 71.99 C \nATOM 978 C ASN A 131 -10.564 -12.498 0.726 1.00 71.99 C \nATOM 979 O ASN A 131 -10.442 -11.437 0.081 1.00 71.99 O \nATOM 980 CB ASN A 131 -13.081 -12.313 0.369 1.00 71.99 C \nATOM 981 CG ASN A 131 -13.084 -12.737 -1.131 1.00 71.99 C \nATOM 982 OD1 ASN A 131 -12.088 -13.297 -1.701 1.00 71.99 O \nATOM 983 ND2 ASN A 131 -14.234 -12.500 -1.786 1.00 71.99 N \nATOM 984 N GLN A 132 -9.568 -13.268 1.084 1.00 67.87 N \nATOM 985 CA GLN A 132 -8.189 -12.882 0.808 1.00 67.87 C \nATOM 986 C GLN A 132 -7.841 -12.811 -0.674 1.00 67.87 C \nATOM 987 O GLN A 132 -6.993 -12.055 -1.082 1.00 67.87 O \nATOM 988 CB GLN A 132 -7.232 -13.824 1.516 1.00 67.87 C \nATOM 989 CG GLN A 132 -7.326 -13.654 3.041 1.00 67.87 C \nATOM 990 CD GLN A 132 -6.330 -14.520 3.773 1.00 67.87 C \nATOM 991 OE1 GLN A 132 -5.543 -15.285 3.152 1.00 67.87 O \nATOM 992 NE2 GLN A 132 -6.309 -14.393 5.086 1.00 67.87 N \nATOM 993 N GLN A 133 -8.501 -13.651 -1.469 1.00 74.43 N \nATOM 994 CA GLN A 133 -8.282 -13.581 -2.895 1.00 74.43 C \nATOM 995 C GLN A 133 -8.751 -12.229 -3.480 1.00 74.43 C \nATOM 996 O GLN A 133 -8.070 -11.592 -4.302 1.00 74.43 O \nATOM 997 CB GLN A 133 -9.000 -14.754 -3.618 1.00 74.43 C \nATOM 998 CG GLN A 133 -8.797 -14.703 -5.103 1.00 74.43 C \nATOM 999 CD GLN A 133 -7.337 -14.892 -5.540 1.00 74.43 C \nATOM 1000 OE1 GLN A 133 -6.612 -15.899 -5.091 1.00 74.43 O \nATOM 1001 NE2 GLN A 133 -6.846 -14.024 -6.386 1.00 74.43 N \nATOM 1002 N LYS A 134 -9.889 -11.774 -3.004 1.00 71.87 N \nATOM 1003 CA LYS A 134 -10.420 -10.459 -3.396 1.00 71.87 C \nATOM 1004 C LYS A 134 -9.462 -9.348 -2.906 1.00 71.87 C \nATOM 1005 O LYS A 134 -9.162 -8.377 -3.658 1.00 71.87 O \nATOM 1006 CB LYS A 134 -11.818 -10.232 -2.860 1.00 71.87 C \nATOM 1007 CG LYS A 134 -12.417 -8.851 -3.276 1.00 71.87 C \nATOM 1008 CD LYS A 134 -13.925 -8.640 -2.758 1.00 71.87 C \nATOM 1009 CE LYS A 134 -14.479 -7.218 -3.173 1.00 71.87 C \nATOM 1010 NZ LYS A 134 -15.969 -7.081 -2.704 1.00 71.87 N \nATOM 1011 N ALA A 135 -9.011 -9.492 -1.649 1.00 69.35 N \nATOM 1012 CA ALA A 135 -8.092 -8.507 -1.118 1.00 69.35 C \nATOM 1013 C ALA A 135 -6.809 -8.416 -1.966 1.00 69.35 C \nATOM 1014 O ALA A 135 -6.362 -7.323 -2.290 1.00 69.35 O \nATOM 1015 CB ALA A 135 -7.742 -8.878 0.326 1.00 69.35 C \nATOM 1016 N GLN A 136 -6.246 -9.570 -2.332 1.00 71.97 N \nATOM 1017 CA GLN A 136 -5.048 -9.614 -3.168 1.00 71.97 C \nATOM 1018 C GLN A 136 -5.310 -9.015 -4.570 1.00 71.97 C \nATOM 1019 O GLN A 136 -4.493 -8.178 -5.079 1.00 71.97 O \nATOM 1020 CB GLN A 136 -4.499 -11.044 -3.290 1.00 71.97 C \nATOM 1021 CG GLN A 136 -3.253 -11.125 -4.199 1.00 71.97 C \nATOM 1022 CD GLN A 136 -2.630 -12.574 -4.229 1.00 71.97 C \nATOM 1023 OE1 GLN A 136 -3.012 -13.513 -3.387 1.00 71.97 O \nATOM 1024 NE2 GLN A 136 -1.673 -12.735 -5.172 1.00 71.97 N \nATOM 1025 N THR A 137 -6.412 -9.389 -5.113 1.00 75.49 N \nATOM 1026 CA THR A 137 -6.776 -8.875 -6.449 1.00 75.49 C \nATOM 1027 C THR A 137 -6.928 -7.349 -6.430 1.00 75.49 C \nATOM 1028 O THR A 137 -6.401 -6.612 -7.325 1.00 75.49 O \nATOM 1029 CB THR A 137 -8.051 -9.539 -6.943 1.00 75.49 C \nATOM 1030 OG1 THR A 137 -7.812 -10.964 -7.010 1.00 75.49 O \nATOM 1031 CG2 THR A 137 -8.457 -8.938 -8.331 1.00 75.49 C \nATOM 1032 N THR A 138 -7.586 -6.854 -5.386 1.00 73.44 N \nATOM 1033 CA THR A 138 -7.789 -5.395 -5.293 1.00 73.44 C \nATOM 1034 C THR A 138 -6.454 -4.669 -5.124 1.00 73.44 C \nATOM 1035 O THR A 138 -6.217 -3.661 -5.793 1.00 73.44 O \nATOM 1036 CB THR A 138 -8.708 -5.064 -4.111 1.00 73.44 C \nATOM 1037 OG1 THR A 138 -9.990 -5.685 -4.333 1.00 73.44 O \nATOM 1038 CG2 THR A 138 -8.903 -3.583 -3.950 1.00 73.44 C \nATOM 1039 N ALA A 139 -5.585 -5.209 -4.291 1.00 72.87 N \nATOM 1040 CA ALA A 139 -4.276 -4.603 -4.131 1.00 72.87 C \nATOM 1041 C ALA A 139 -3.478 -4.622 -5.439 1.00 72.87 C \nATOM 1042 O ALA A 139 -2.834 -3.614 -5.781 1.00 72.87 O \nATOM 1043 CB ALA A 139 -3.508 -5.338 -3.015 1.00 72.87 C \nATOM 1044 N GLU A 140 -3.492 -5.740 -6.159 1.00 72.06 N \nATOM 1045 CA GLU A 140 -2.791 -5.844 -7.414 1.00 72.06 C \nATOM 1046 C GLU A 140 -3.331 -4.857 -8.448 1.00 72.06 C \nATOM 1047 O GLU A 140 -2.584 -4.246 -9.140 1.00 72.06 O \nATOM 1048 CB GLU A 140 -2.882 -7.239 -7.970 1.00 72.06 C \nATOM 1049 CG GLU A 140 -2.101 -8.262 -7.196 1.00 72.06 C \nATOM 1050 CD GLU A 140 -2.291 -9.622 -7.546 1.00 72.06 C \nATOM 1051 OE1 GLU A 140 -3.138 -9.953 -8.321 1.00 72.06 O \nATOM 1052 OE2 GLU A 140 -1.615 -10.488 -7.077 1.00 72.06 O \nATOM 1053 N ASN A 141 -4.640 -4.731 -8.516 1.00 71.24 N \nATOM 1054 CA ASN A 141 -5.258 -3.788 -9.445 1.00 71.24 C \nATOM 1055 C ASN A 141 -4.833 -2.348 -9.170 1.00 71.24 C \nATOM 1056 O ASN A 141 -4.531 -1.610 -10.090 1.00 71.24 O \nATOM 1057 CB ASN A 141 -6.789 -3.874 -9.423 1.00 71.24 C \nATOM 1058 CG ASN A 141 -7.347 -5.148 -10.070 1.00 71.24 C \nATOM 1059 OD1 ASN A 141 -6.580 -5.832 -10.812 1.00 71.24 O \nATOM 1060 ND2 ASN A 141 -8.644 -5.438 -9.820 1.00 71.24 N \nATOM 1061 N ILE A 142 -4.774 -1.987 -7.900 1.00 71.99 N \nATOM 1062 CA ILE A 142 -4.353 -0.621 -7.523 1.00 71.99 C \nATOM 1063 C ILE A 142 -2.874 -0.395 -7.863 1.00 71.99 C \nATOM 1064 O ILE A 142 -2.534 0.644 -8.451 1.00 71.99 O \nATOM 1065 CB ILE A 142 -4.607 -0.370 -6.033 1.00 71.99 C \nATOM 1066 CG1 ILE A 142 -6.167 -0.247 -5.805 1.00 71.99 C \nATOM 1067 CG2 ILE A 142 -3.881 0.907 -5.533 1.00 71.99 C \nATOM 1068 CD1 ILE A 142 -6.597 -0.426 -4.316 1.00 71.99 C \nATOM 1069 N ILE A 143 -2.008 -1.348 -7.557 1.00 69.85 N \nATOM 1070 CA ILE A 143 -0.587 -1.227 -7.832 1.00 69.85 C \nATOM 1071 C ILE A 143 -0.314 -1.219 -9.326 1.00 69.85 C \nATOM 1072 O ILE A 143 0.530 -0.496 -9.818 1.00 69.85 O \nATOM 1073 CB ILE A 143 0.165 -2.329 -7.117 1.00 69.85 C \nATOM 1074 CG1 ILE A 143 0.157 -2.046 -5.618 1.00 69.85 C \nATOM 1075 CG2 ILE A 143 1.543 -2.429 -7.578 1.00 69.85 C \nATOM 1076 CD1 ILE A 143 0.575 -3.170 -4.735 1.00 69.85 C \nATOM 1077 N ASN A 144 -1.087 -1.995 -10.101 1.00 66.84 N \nATOM 1078 CA ASN A 144 -0.892 -2.050 -11.571 1.00 66.84 C \nATOM 1079 C ASN A 144 -1.266 -0.753 -12.252 1.00 66.84 C \nATOM 1080 O ASN A 144 -0.831 -0.513 -13.381 1.00 66.84 O \nATOM 1081 CB ASN A 144 -1.688 -3.189 -12.172 1.00 66.84 C \nATOM 1082 CG ASN A 144 -1.114 -4.547 -11.902 1.00 66.84 C \nATOM 1083 OD1 ASN A 144 0.072 -4.677 -11.609 1.00 66.84 O \nATOM 1084 ND2 ASN A 144 -1.971 -5.569 -12.042 1.00 66.84 N \nATOM 1085 N THR A 145 -2.059 0.098 -11.609 1.00 70.25 N \nATOM 1086 CA THR A 145 -2.386 1.384 -12.190 1.00 70.25 C \nATOM 1087 C THR A 145 -1.331 2.441 -11.848 1.00 70.25 C \nATOM 1088 O THR A 145 -1.430 3.555 -12.329 1.00 70.25 O \nATOM 1089 CB THR A 145 -3.778 1.864 -11.751 1.00 70.25 C \nATOM 1090 OG1 THR A 145 -3.842 2.064 -10.413 1.00 70.25 O \nATOM 1091 CG2 THR A 145 -4.876 0.888 -12.157 1.00 70.25 C \nATOM 1092 N LEU A 146 -0.330 2.122 -11.085 1.00 68.16 N \nATOM 1093 CA LEU A 146 0.669 3.078 -10.639 1.00 68.16 C \nATOM 1094 C LEU A 146 1.627 3.433 -11.778 1.00 68.16 C \nATOM 1095 O LEU A 146 2.180 2.571 -12.478 1.00 68.16 O \nATOM 1096 CB LEU A 146 1.479 2.494 -9.458 1.00 68.16 C \nATOM 1097 CG LEU A 146 2.534 3.392 -8.837 1.00 68.16 C \nATOM 1098 CD1 LEU A 146 1.855 4.584 -8.180 1.00 68.16 C \nATOM 1099 CD2 LEU A 146 3.345 2.608 -7.848 1.00 68.16 C \nATOM 1100 N VAL A 147 1.794 4.718 -11.968 1.00 57.25 N \nATOM 1101 CA VAL A 147 2.683 5.250 -12.977 1.00 57.25 C \nATOM 1102 C VAL A 147 3.624 6.267 -12.343 1.00 57.25 C \nATOM 1103 O VAL A 147 3.157 7.167 -11.589 1.00 57.25 O \nATOM 1104 CB VAL A 147 1.916 5.965 -14.118 1.00 57.25 C \nATOM 1105 CG1 VAL A 147 2.892 6.627 -15.167 1.00 57.25 C \nATOM 1106 CG2 VAL A 147 0.942 4.921 -14.800 1.00 57.25 C \nATOM 1107 N ILE A 148 4.955 6.087 -12.669 1.00 52.48 N \nATOM 1108 CA ILE A 148 5.965 6.989 -12.142 1.00 52.48 C \nATOM 1109 C ILE A 148 6.600 7.737 -13.330 1.00 52.48 C \nATOM 1110 O ILE A 148 6.927 7.138 -14.319 1.00 52.48 O \nATOM 1111 CB ILE A 148 7.044 6.214 -11.354 1.00 52.48 C \nATOM 1112 CG1 ILE A 148 6.422 5.505 -10.120 1.00 52.48 C \nATOM 1113 CG2 ILE A 148 8.174 7.095 -10.895 1.00 52.48 C \nATOM 1114 CD1 ILE A 148 7.343 4.546 -9.375 1.00 52.48 C \nATOM 1115 N LYS A 149 6.703 9.017 -13.155 1.00 60.40 N \nATOM 1116 CA LYS A 149 7.288 9.825 -14.197 1.00 60.40 C \nATOM 1117 C LYS A 149 8.629 9.251 -14.631 1.00 60.40 C \nATOM 1118 O LYS A 149 9.444 8.920 -13.843 1.00 60.40 O \nATOM 1119 CB LYS A 149 7.474 11.280 -13.730 1.00 60.40 C \nATOM 1120 CG LYS A 149 7.950 12.147 -14.832 1.00 60.40 C \nATOM 1121 CD LYS A 149 8.119 13.634 -14.300 1.00 60.40 C \nATOM 1122 CE LYS A 149 8.707 14.587 -15.427 1.00 60.40 C \nATOM 1123 NZ LYS A 149 8.860 16.041 -14.798 1.00 60.40 N \nATOM 1124 N GLY A 150 8.840 9.179 -15.969 1.00 56.61 N \nATOM 1125 CA GLY A 150 10.020 8.593 -16.550 1.00 56.61 C \nATOM 1126 C GLY A 150 10.010 7.089 -16.749 1.00 56.61 C \nATOM 1127 O GLY A 150 10.974 6.497 -17.240 1.00 56.61 O \nATOM 1128 N SER A 151 8.875 6.444 -16.395 1.00 50.87 N \nATOM 1129 CA SER A 151 8.755 5.011 -16.572 1.00 50.87 C \nATOM 1130 C SER A 151 7.351 4.674 -17.043 1.00 50.87 C \nATOM 1131 O SER A 151 6.442 5.503 -16.931 1.00 50.87 O \nATOM 1132 CB SER A 151 9.095 4.236 -15.317 1.00 50.87 C \nATOM 1133 OG SER A 151 8.064 4.453 -14.301 1.00 50.87 O \nATOM 1134 N SER A 152 7.126 3.420 -17.525 1.00 45.59 N \nATOM 1135 CA SER A 152 5.827 2.948 -17.831 1.00 45.59 C \nATOM 1136 C SER A 152 5.090 2.489 -16.596 1.00 45.59 C \nATOM 1137 O SER A 152 5.671 2.508 -15.517 1.00 45.59 O \nATOM 1138 CB SER A 152 5.948 1.810 -18.847 1.00 45.59 C \nATOM 1139 OG SER A 152 6.595 0.644 -18.270 1.00 45.59 O \nATOM 1140 N ALA A 153 3.842 2.069 -16.753 1.00 46.59 N \nATOM 1141 CA ALA A 153 3.060 1.564 -15.630 1.00 46.59 C \nATOM 1142 C ALA A 153 3.797 0.374 -14.948 1.00 46.59 C \nATOM 1143 O ALA A 153 4.446 -0.403 -15.642 1.00 46.59 O \nATOM 1144 CB ALA A 153 1.676 1.108 -16.114 1.00 46.59 C \nATOM 1145 N TRP A 154 3.630 0.217 -13.610 1.00 49.69 N \nATOM 1146 CA TRP A 154 4.230 -0.928 -12.862 1.00 49.69 C \nATOM 1147 C TRP A 154 3.599 -2.196 -13.332 1.00 49.69 C \nATOM 1148 O TRP A 154 2.384 -2.246 -13.625 1.00 49.69 O \nATOM 1149 CB TRP A 154 4.058 -0.739 -11.355 1.00 49.69 C \nATOM 1150 CG TRP A 154 4.898 0.404 -10.835 1.00 49.69 C \nATOM 1151 CD1 TRP A 154 5.629 1.397 -11.505 1.00 49.69 C \nATOM 1152 CD2 TRP A 154 5.242 0.641 -9.448 1.00 49.69 C \nATOM 1153 NE1 TRP A 154 6.302 2.145 -10.593 1.00 49.69 N \nATOM 1154 CE2 TRP A 154 6.021 1.713 -9.370 1.00 49.69 C \nATOM 1155 CE3 TRP A 154 4.831 0.075 -8.217 1.00 49.69 C \nATOM 1156 CZ2 TRP A 154 6.515 2.279 -8.167 1.00 49.69 C \nATOM 1157 CZ3 TRP A 154 5.277 0.585 -6.948 1.00 49.69 C \nATOM 1158 CH2 TRP A 154 6.133 1.659 -6.918 1.00 49.69 C \nATOM 1159 N SER A 155 4.366 -3.281 -13.412 1.00 42.17 N \nATOM 1160 CA SER A 155 3.864 -4.554 -13.794 1.00 42.17 C \nATOM 1161 C SER A 155 3.044 -5.191 -12.674 1.00 42.17 C \nATOM 1162 O SER A 155 3.089 -4.739 -11.533 1.00 42.17 O \nATOM 1163 CB SER A 155 5.030 -5.515 -14.186 1.00 42.17 C \nATOM 1164 OG SER A 155 5.830 -5.839 -13.044 1.00 42.17 O \nATOM 1165 N HIS A 156 2.314 -6.240 -12.998 1.00 38.16 N \nATOM 1166 CA HIS A 156 1.513 -6.953 -12.024 1.00 38.16 C \nATOM 1167 C HIS A 156 2.434 -7.554 -10.928 1.00 38.16 C \nATOM 1168 O HIS A 156 3.327 -8.307 -11.231 1.00 38.16 O \nATOM 1169 CB HIS A 156 0.758 -8.061 -12.729 1.00 38.16 C \nATOM 1170 CG HIS A 156 -0.237 -8.805 -11.903 1.00 38.16 C \nATOM 1171 ND1 HIS A 156 0.154 -9.771 -11.034 1.00 38.16 N \nATOM 1172 CD2 HIS A 156 -1.559 -8.664 -11.738 1.00 38.16 C \nATOM 1173 CE1 HIS A 156 -0.893 -10.209 -10.403 1.00 38.16 C \nATOM 1174 NE2 HIS A 156 -1.955 -9.532 -10.814 1.00 38.16 N \nATOM 1175 N PRO A 157 2.227 -7.168 -9.575 1.00 43.70 N \nATOM 1176 CA PRO A 157 3.074 -7.760 -8.539 1.00 43.70 C \nATOM 1177 C PRO A 157 2.596 -9.141 -8.205 1.00 43.70 C \nATOM 1178 O PRO A 157 1.444 -9.525 -8.478 1.00 43.70 O \nATOM 1179 CB PRO A 157 2.859 -6.843 -7.382 1.00 43.70 C \nATOM 1180 CG PRO A 157 1.458 -6.326 -7.549 1.00 43.70 C \nATOM 1181 CD PRO A 157 1.292 -6.154 -9.044 1.00 43.70 C \nATOM 1182 N GLN A 158 3.492 -9.980 -7.684 1.00 43.63 N \nATOM 1183 CA GLN A 158 3.184 -11.346 -7.289 1.00 43.63 C \nATOM 1184 C GLN A 158 3.035 -11.439 -5.785 1.00 43.63 C \nATOM 1185 O GLN A 158 4.010 -11.344 -5.018 1.00 43.63 O \nATOM 1186 CB GLN A 158 4.260 -12.336 -7.782 1.00 43.63 C \nATOM 1187 CG GLN A 158 4.440 -12.333 -9.294 1.00 43.63 C \nATOM 1188 CD GLN A 158 3.238 -12.891 -9.999 1.00 43.63 C \nATOM 1189 OE1 GLN A 158 2.689 -13.936 -9.590 1.00 43.63 O \nATOM 1190 NE2 GLN A 158 2.790 -12.236 -11.025 1.00 43.63 N \nATOM 1191 N PHE A 159 1.770 -11.541 -5.308 1.00 37.81 N \nATOM 1192 CA PHE A 159 1.519 -11.723 -3.898 1.00 37.81 C \nATOM 1193 C PHE A 159 1.557 -13.192 -3.560 1.00 37.81 C \nATOM 1194 O PHE A 159 0.714 -13.966 -4.007 1.00 37.81 O \nATOM 1195 CB PHE A 159 0.173 -11.064 -3.503 1.00 37.81 C \nATOM 1196 CG PHE A 159 0.101 -9.607 -3.708 1.00 37.81 C \nATOM 1197 CD1 PHE A 159 0.754 -8.815 -2.889 1.00 37.81 C \nATOM 1198 CD2 PHE A 159 -0.632 -9.092 -4.741 1.00 37.81 C \nATOM 1199 CE1 PHE A 159 0.694 -7.454 -3.088 1.00 37.81 C \nATOM 1200 CE2 PHE A 159 -0.693 -7.760 -4.925 1.00 37.81 C \nATOM 1201 CZ PHE A 159 -0.044 -6.938 -4.087 1.00 37.81 C \nATOM 1202 N GLU A 160 2.533 -13.589 -2.783 1.00 39.81 N \nATOM 1203 CA GLU A 160 2.718 -14.967 -2.377 1.00 39.81 C \nATOM 1204 C GLU A 160 2.297 -15.162 -0.946 1.00 39.81 C \nATOM 1205 O GLU A 160 2.658 -14.390 -0.080 1.00 39.81 O \nATOM 1206 CB GLU A 160 4.149 -15.390 -2.561 1.00 39.81 C \nATOM 1207 CG GLU A 160 4.564 -15.394 -4.035 1.00 39.81 C \nATOM 1208 CD GLU A 160 6.013 -15.690 -4.258 1.00 39.81 C \nATOM 1209 OE1 GLU A 160 6.802 -15.815 -3.315 1.00 39.81 O \nATOM 1210 OE2 GLU A 160 6.352 -15.819 -5.438 1.00 39.81 O \nATOM 1211 N LYS A 161 1.527 -16.287 -0.640 1.00 38.62 N \nATOM 1212 CA LYS A 161 1.062 -16.609 0.730 1.00 38.62 C \nATOM 1213 C LYS A 161 1.412 -17.990 1.197 1.00 38.62 C \nATOM 1214 O LYS A 161 1.718 -18.847 0.655 1.00 38.62 O \nATOM 1215 CB LYS A 161 -0.482 -16.487 0.759 1.00 38.62 C \nATOM 1216 CG LYS A 161 -1.012 -15.113 0.390 1.00 38.62 C \nATOM 1217 CD LYS A 161 -2.475 -15.075 0.493 1.00 38.62 C \nATOM 1218 CE LYS A 161 -2.993 -13.761 0.052 1.00 38.62 C \nATOM 1219 NZ LYS A 161 -4.472 -13.722 0.223 1.00 38.62 N \nEND \n ", "plddt_mean": 71.57782608695652, "wall_clock_seconds": 115.43804216384888, "ok": true }, { "target_pdb_id": "13BB:A", "model": "simplefold-100m", "ok": false, "error": "M3 Max returned HTTP 524: error code: 524", "failure_tag": "orchestration_timeout" } ], "scores": [ { "target_pdb_id": "9PFE:A", "lddt": 0.7394930127838568, "tm_score": 0.04823, "rmsd": 2.06, "ok": true }, { "target_pdb_id": "13CZ:A", "lddt": 0.8532274992856481, "tm_score": 0.90041, "rmsd": 1.7, "ok": true }, { "target_pdb_id": "13BB:A", "ok": false, "error": "prediction failed; skipping score" } ], "validation": { "within_tolerance": true, "reproduction_status": "successful_prediction", "diagnosis": "Sequence-aligned median lDDT 0.7964 vs fixture value 0.5000 = 59.27% relative error. The fixture value is an engineering smoke-test reference, not a paper claim.", "aggregated_value": 0.7963602560347525, "published_value": 0.5, "relative_error_pct": 59.27205120695049, "reviewer_notes": "Sequence-aligned lDDT rescored on 2026-05-14 after detecting PDB residue-numbering mismatch in single-chain targets." }, "audit_log_entries": 29, "generated_at": "2026-05-14T10:07:59.202902Z" }