diff --git a/.travis.yml b/.travis.yml index fa30b13..adedeeb 100644 --- a/.travis.yml +++ b/.travis.yml @@ -1,12 +1,12 @@ language: python virtualenv: - system_site_packages: true + system_site_packages: false env: matrix: - PYTHON_VERSION="2.7" LATEST="true" - - PYTHON_VERSION="3.5" LATEST="true" - - PYTHON_VERSION="3.6" NUMPY_VERSION="1.11.2" SCIPY_VERSION="0.18.1" PANDAS_VERSION="0.19.1" - - PYTHON_VERSION="3.6" COVERAGE="true" LATEST="true" + - PYTHON_VERSION="3.7" LATEST="true" + - PYTHON_VERSION="3.7" COVERAGE="false" NUMPY_VERSION="1.16.2" SCIPY_VERSION="1.2.1" PANDAS_VERSION="0.24.2" + - PYTHON_VERSION="3.7" COVERAGE="true" LATEST="true" install: source ./ci/.travis_install.sh script: bash ./ci/.travis_test.sh after_success: diff --git a/LICENSE b/LICENSE.txt similarity index 100% rename from LICENSE rename to LICENSE.txt diff --git a/biopandas/__init__.py b/biopandas/__init__.py index cccefb4..79c03aa 100644 --- a/biopandas/__init__.py +++ b/biopandas/__init__.py @@ -24,5 +24,5 @@ # 'X.Y.dev0' is the canonical version of 'X.Y.dev' # -__version__ = '0.2.4' +__version__ = '0.2.5' __author__ = "Sebastian Raschka " diff --git a/biopandas/pdb/pandas_pdb.py b/biopandas/pdb/pandas_pdb.py index cd02ad0..8d80a3e 100644 --- a/biopandas/pdb/pandas_pdb.py +++ b/biopandas/pdb/pandas_pdb.py @@ -406,7 +406,10 @@ def amino3to1(self, record='ATOM', cmp = 'placeholder' indices = [] - for num, ind in zip(tmp['residue_number'], np.arange(tmp.shape[0])): + residue_number_insertion = (tmp['residue_number'].astype(str) + + tmp['insertion']) + + for num, ind in zip(residue_number_insertion, np.arange(tmp.shape[0])): if num != cmp: indices.append(ind) cmp = num @@ -526,7 +529,7 @@ def to_pdb(self, path, records=None, gz=False, append_newline=True): " Please consider updating your pandas" " installation to a more recent version.", DeprecationWarning) - df.sort(columns='line_idx', inplace=True) + dfs.sort(columns='line_idx', inplace=True) elif pd_version < LooseVersion('0.23.0'): df = pd.concat(dfs) diff --git a/biopandas/pdb/tests/data/2d7t.pdb b/biopandas/pdb/tests/data/2d7t.pdb new file mode 100644 index 0000000..be39ccf --- /dev/null +++ b/biopandas/pdb/tests/data/2d7t.pdb @@ -0,0 +1,1911 @@ +REMARK 5 CHOTHIA RENUMBERED STRUCTURE 2D7T GENERATED BY SABDAB +REMARK 5 ANTIBODY CHAINS ARE RENUMBERED IN THE VARIABLE REGIONS ONLY +REMARK 5 NON ANTIBODY CHAINS ARE LEFT WITH RESIDUE IDS AS IN PDB +REMARK 5 PAIRED_HL HCHAIN=H LCHAIN=L AGCHAIN=NONE AGTYPE=NONE +ATOM 1 N GLN H 1 18.210 36.185 42.755 1.00 40.78 N +ATOM 2 CA GLN H 1 16.773 36.444 43.062 1.00 40.33 C +ATOM 3 C GLN H 1 15.893 36.180 41.830 1.00 39.12 C +ATOM 4 O GLN H 1 14.963 36.940 41.537 1.00 38.96 O +ATOM 5 CB GLN H 1 16.587 37.868 43.631 1.00 41.30 C +ATOM 6 CG GLN H 1 16.251 38.991 42.634 1.00 43.76 C +ATOM 7 CD GLN H 1 17.438 39.440 41.758 1.00 48.13 C +ATOM 8 OE1 GLN H 1 17.985 38.656 40.958 1.00 49.00 O +ATOM 9 NE2 GLN H 1 17.813 40.711 41.889 1.00 49.16 N +ATOM 10 N VAL H 2 16.188 35.094 41.112 1.00 37.55 N +ATOM 11 CA VAL H 2 15.232 34.595 40.120 1.00 36.15 C +ATOM 12 C VAL H 2 13.935 34.229 40.850 1.00 34.38 C +ATOM 13 O VAL H 2 13.961 33.611 41.919 1.00 34.00 O +ATOM 14 CB VAL H 2 15.779 33.383 39.316 1.00 36.71 C +ATOM 15 CG1 VAL H 2 16.370 32.360 40.232 1.00 38.12 C +ATOM 16 CG2 VAL H 2 14.678 32.736 38.441 1.00 37.51 C +ATOM 17 N GLN H 3 12.802 34.644 40.293 1.00 31.19 N +ATOM 18 CA GLN H 3 11.506 34.253 40.844 1.00 28.75 C +ATOM 19 C GLN H 3 10.612 33.926 39.670 1.00 25.13 C +ATOM 20 O GLN H 3 10.719 34.559 38.618 1.00 23.45 O +ATOM 21 CB GLN H 3 10.884 35.380 41.671 1.00 30.01 C +ATOM 22 CG GLN H 3 9.831 34.934 42.683 1.00 35.11 C +ATOM 23 CD GLN H 3 8.967 36.092 43.239 1.00 40.28 C +ATOM 24 OE1 GLN H 3 7.892 35.847 43.804 1.00 42.86 O +ATOM 25 NE2 GLN H 3 9.434 37.336 43.079 1.00 42.49 N +ATOM 26 N LEU H 4 9.757 32.925 39.865 1.00 22.20 N +ATOM 27 CA LEU H 4 8.770 32.504 38.876 1.00 19.52 C +ATOM 28 C LEU H 4 7.390 32.591 39.538 1.00 19.02 C +ATOM 29 O LEU H 4 7.153 31.956 40.564 1.00 19.96 O +ATOM 30 CB LEU H 4 9.035 31.048 38.445 1.00 19.11 C +ATOM 31 CG LEU H 4 10.369 30.764 37.721 1.00 18.14 C +ATOM 32 CD1 LEU H 4 10.480 29.278 37.351 1.00 15.97 C +ATOM 33 CD2 LEU H 4 10.541 31.595 36.472 1.00 20.73 C +ATOM 34 N VAL H 5 6.482 33.364 38.946 1.00 18.03 N +ATOM 35 CA VAL H 5 5.145 33.565 39.519 1.00 18.01 C +ATOM 36 C VAL H 5 4.127 32.987 38.529 1.00 16.50 C +ATOM 37 O VAL H 5 4.011 33.447 37.391 1.00 17.32 O +ATOM 38 CB VAL H 5 4.846 35.075 39.788 1.00 17.84 C +ATOM 39 CG1 VAL H 5 3.377 35.309 40.171 1.00 19.87 C +ATOM 40 CG2 VAL H 5 5.767 35.592 40.872 1.00 20.27 C +ATOM 41 N GLN H 6 3.399 31.979 39.000 1.00 16.71 N +ATOM 42 CA GLN H 6 2.418 31.296 38.174 1.00 15.99 C +ATOM 43 C GLN H 6 0.999 31.830 38.352 1.00 15.65 C +ATOM 44 O GLN H 6 0.675 32.501 39.353 1.00 16.41 O +ATOM 45 CB GLN H 6 2.446 29.791 38.501 1.00 15.77 C +ATOM 46 CG GLN H 6 3.803 29.120 38.136 1.00 15.45 C +ATOM 47 CD GLN H 6 3.824 27.632 38.377 1.00 14.32 C +ATOM 48 OE1 GLN H 6 4.746 27.122 39.011 1.00 15.50 O +ATOM 49 NE2 GLN H 6 2.821 26.932 37.892 1.00 15.69 N +ATOM 50 N SER H 7 0.142 31.517 37.387 1.00 15.55 N +ATOM 51 CA SER H 7 -1.265 31.914 37.447 1.00 16.34 C +ATOM 52 C SER H 7 -2.059 31.070 38.447 1.00 15.70 C +ATOM 53 O SER H 7 -1.577 30.038 38.936 1.00 16.85 O +ATOM 54 CB SER H 7 -1.899 31.830 36.057 1.00 15.94 C +ATOM 55 OG SER H 7 -1.540 30.627 35.434 1.00 17.69 O +ATOM 56 N GLY H 8 -3.254 31.537 38.804 1.00 15.37 N +ATOM 57 CA GLY H 8 -4.014 30.820 39.828 1.00 14.83 C +ATOM 58 C GLY H 8 -4.768 29.591 39.389 1.00 15.58 C +ATOM 59 O GLY H 8 -4.765 29.210 38.204 1.00 15.11 O +ATOM 60 N ALA H 9 -5.446 28.975 40.360 1.00 16.59 N +ATOM 61 CA ALA H 9 -6.139 27.710 40.130 1.00 17.45 C +ATOM 62 C ALA H 9 -7.181 27.792 39.023 1.00 17.75 C +ATOM 63 O ALA H 9 -7.880 28.809 38.890 1.00 17.95 O +ATOM 64 CB ALA H 9 -6.802 27.219 41.415 1.00 17.96 C +ATOM 65 N GLU H 10 -7.290 26.711 38.257 1.00 16.41 N +ATOM 66 CA GLU H 10 -8.294 26.599 37.183 1.00 18.13 C +ATOM 67 C GLU H 10 -9.165 25.363 37.342 1.00 18.90 C +ATOM 68 O GLU H 10 -8.738 24.305 37.828 1.00 17.41 O +ATOM 69 CB GLU H 10 -7.636 26.498 35.806 1.00 19.76 C +ATOM 70 CG GLU H 10 -6.576 27.540 35.535 1.00 22.74 C +ATOM 71 CD GLU H 10 -7.154 28.752 34.849 1.00 28.37 C +ATOM 72 OE1 GLU H 10 -6.348 29.623 34.465 1.00 30.71 O +ATOM 73 OE2 GLU H 10 -8.408 28.852 34.740 1.00 28.79 O +ATOM 74 N VAL H 11 -10.415 25.498 36.906 1.00 18.53 N +ATOM 75 CA VAL H 11 -11.357 24.386 36.895 1.00 19.22 C +ATOM 76 C VAL H 11 -11.888 24.228 35.482 1.00 18.61 C +ATOM 77 O VAL H 11 -12.411 25.182 34.897 1.00 18.53 O +ATOM 78 CB VAL H 11 -12.518 24.539 37.934 1.00 20.05 C +ATOM 79 CG1 VAL H 11 -13.450 23.344 37.870 1.00 19.78 C +ATOM 80 CG2 VAL H 11 -11.997 24.715 39.356 1.00 21.77 C +ATOM 81 N LYS H 12 -11.695 23.050 34.904 1.00 19.26 N +ATOM 82 CA LYS H 12 -12.018 22.835 33.494 1.00 19.65 C +ATOM 83 C LYS H 12 -12.853 21.578 33.275 1.00 19.75 C +ATOM 84 O LYS H 12 -12.724 20.608 34.025 1.00 20.32 O +ATOM 85 CB LYS H 12 -10.699 22.749 32.706 1.00 20.37 C +ATOM 86 CG LYS H 12 -9.894 24.039 32.738 1.00 20.94 C +ATOM 87 CD LYS H 12 -10.521 25.032 31.747 1.00 24.45 C +ATOM 88 CE LYS H 12 -9.788 26.362 31.726 1.00 27.85 C +ATOM 89 NZ LYS H 12 -10.697 27.368 31.096 1.00 29.79 N +ATOM 90 N LYS H 13 -13.697 21.574 32.233 1.00 19.67 N +ATOM 91 CA LYS H 13 -14.482 20.393 31.886 1.00 20.21 C +ATOM 92 C LYS H 13 -13.652 19.448 31.047 1.00 19.67 C +ATOM 93 O LYS H 13 -12.692 19.870 30.389 1.00 18.65 O +ATOM 94 CB LYS H 13 -15.769 20.811 31.149 1.00 21.94 C +ATOM 95 CG LYS H 13 -16.536 21.960 31.813 1.00 25.34 C +ATOM 96 CD LYS H 13 -17.007 21.638 33.241 1.00 34.49 C +ATOM 97 CE LYS H 13 -16.578 22.738 34.251 1.00 38.38 C +ATOM 98 NZ LYS H 13 -16.373 22.191 35.632 1.00 38.03 N +ATOM 99 N PRO H 14 -13.992 18.165 31.036 1.00 18.50 N +ATOM 100 CA PRO H 14 -13.257 17.219 30.196 1.00 18.23 C +ATOM 101 C PRO H 14 -13.266 17.675 28.724 1.00 19.58 C +ATOM 102 O PRO H 14 -14.325 18.109 28.205 1.00 20.19 O +ATOM 103 CB PRO H 14 -14.024 15.904 30.379 1.00 19.21 C +ATOM 104 CG PRO H 14 -14.769 16.073 31.648 1.00 18.21 C +ATOM 105 CD PRO H 14 -15.113 17.504 31.740 1.00 19.07 C +ATOM 106 N GLY H 15 -12.117 17.574 28.072 1.00 19.02 N +ATOM 107 CA GLY H 15 -11.999 17.959 26.667 1.00 18.79 C +ATOM 108 C GLY H 15 -11.739 19.435 26.455 1.00 18.51 C +ATOM 109 O GLY H 15 -11.332 19.822 25.346 1.00 18.70 O +ATOM 110 N ALA H 16 -11.912 20.247 27.500 1.00 17.57 N +ATOM 111 CA ALA H 16 -11.460 21.658 27.442 1.00 17.17 C +ATOM 112 C ALA H 16 -9.931 21.746 27.401 1.00 16.37 C +ATOM 113 O ALA H 16 -9.229 20.720 27.436 1.00 15.50 O +ATOM 114 CB ALA H 16 -12.055 22.475 28.600 1.00 17.19 C +ATOM 115 N SER H 17 -9.418 22.957 27.182 1.00 17.39 N +ATOM 116 CA SER H 17 -8.004 23.206 27.291 1.00 15.82 C +ATOM 117 C SER H 17 -7.798 24.196 28.425 1.00 16.54 C +ATOM 118 O SER H 17 -8.725 24.902 28.851 1.00 16.88 O +ATOM 119 CB SER H 17 -7.422 23.780 25.983 1.00 17.09 C +ATOM 120 OG SER H 17 -8.040 25.028 25.707 1.00 18.22 O +ATOM 121 N VAL H 18 -6.565 24.196 28.920 1.00 15.68 N +ATOM 122 CA VAL H 18 -6.147 25.165 29.929 1.00 16.27 C +ATOM 123 C VAL H 18 -4.819 25.751 29.491 1.00 15.31 C +ATOM 124 O VAL H 18 -4.013 25.053 28.885 1.00 15.57 O +ATOM 125 CB VAL H 18 -6.041 24.506 31.347 1.00 16.53 C +ATOM 126 CG1 VAL H 18 -4.964 23.411 31.412 1.00 17.83 C +ATOM 127 CG2 VAL H 18 -5.802 25.595 32.423 1.00 17.25 C +ATOM 128 N LYS H 19 -4.613 27.042 29.765 1.00 15.51 N +ATOM 129 CA LYS H 19 -3.294 27.640 29.514 1.00 14.76 C +ATOM 130 C LYS H 19 -2.792 28.293 30.770 1.00 14.46 C +ATOM 131 O LYS H 19 -3.377 29.264 31.267 1.00 17.14 O +ATOM 132 CB LYS H 19 -3.295 28.614 28.301 1.00 14.35 C +ATOM 133 CG LYS H 19 -1.908 29.119 27.926 1.00 17.09 C +ATOM 134 CD LYS H 19 -1.899 29.866 26.590 1.00 20.11 C +ATOM 135 CE LYS H 19 -2.221 31.320 26.714 1.00 24.41 C +ATOM 136 NZ LYS H 19 -2.220 31.980 25.326 1.00 23.24 N +ATOM 137 N VAL H 20 -1.750 27.698 31.324 1.00 13.92 N +ATOM 138 CA VAL H 20 -1.160 28.166 32.583 1.00 15.20 C +ATOM 139 C VAL H 20 0.034 29.082 32.267 1.00 14.88 C +ATOM 140 O VAL H 20 0.769 28.852 31.303 1.00 14.97 O +ATOM 141 CB VAL H 20 -0.701 26.970 33.464 1.00 15.21 C +ATOM 142 CG1 VAL H 20 -0.016 27.465 34.735 1.00 20.64 C +ATOM 143 CG2 VAL H 20 -1.876 26.021 33.802 1.00 17.58 C +ATOM 144 N SER H 21 0.215 30.119 33.082 1.00 15.27 N +ATOM 145 CA SER H 21 1.321 31.050 32.884 1.00 15.24 C +ATOM 146 C SER H 21 2.372 30.974 33.991 1.00 14.76 C +ATOM 147 O SER H 21 2.093 30.609 35.139 1.00 14.13 O +ATOM 148 CB SER H 21 0.828 32.492 32.761 1.00 16.04 C +ATOM 149 OG SER H 21 0.216 32.983 33.939 1.00 17.83 O +ATOM 150 N CYS H 22 3.560 31.428 33.615 1.00 13.24 N +ATOM 151 CA CYS H 22 4.748 31.461 34.469 1.00 15.03 C +ATOM 152 C CYS H 22 5.535 32.726 34.105 1.00 14.85 C +ATOM 153 O CYS H 22 6.196 32.762 33.053 1.00 14.75 O +ATOM 154 CB CYS H 22 5.590 30.240 34.129 1.00 14.04 C +ATOM 155 SG CYS H 22 7.136 30.110 35.067 1.00 16.70 S +ATOM 156 N LYS H 23 5.490 33.729 34.981 1.00 15.72 N +ATOM 157 CA LYS H 23 6.196 35.009 34.757 1.00 17.61 C +ATOM 158 C LYS H 23 7.519 35.021 35.524 1.00 17.34 C +ATOM 159 O LYS H 23 7.553 34.792 36.747 1.00 17.87 O +ATOM 160 CB LYS H 23 5.307 36.210 35.171 1.00 17.30 C +ATOM 161 CG LYS H 23 5.930 37.614 34.804 1.00 18.40 C +ATOM 162 CD LYS H 23 4.854 38.738 35.006 1.00 22.16 C +ATOM 163 CE LYS H 23 5.352 40.136 34.551 1.00 26.70 C +ATOM 164 NZ LYS H 23 6.391 40.592 35.509 1.00 30.14 N +ATOM 165 N ALA H 24 8.604 35.254 34.781 1.00 18.03 N +ATOM 166 CA ALA H 24 9.953 35.190 35.303 1.00 19.60 C +ATOM 167 C ALA H 24 10.494 36.589 35.595 1.00 21.16 C +ATOM 168 O ALA H 24 10.211 37.544 34.864 1.00 20.78 O +ATOM 169 CB ALA H 24 10.848 34.520 34.276 1.00 19.62 C +ATOM 170 N SER H 25 11.301 36.676 36.637 1.00 23.58 N +ATOM 171 CA SER H 25 12.027 37.901 36.939 1.00 25.82 C +ATOM 172 C SER H 25 13.391 37.586 37.558 1.00 27.29 C +ATOM 173 O SER H 25 13.610 36.482 38.087 1.00 27.67 O +ATOM 174 CB SER H 25 11.190 38.775 37.873 1.00 24.76 C +ATOM 175 OG SER H 25 10.919 38.114 39.093 1.00 28.83 O +ATOM 176 N GLY H 26 14.320 38.545 37.465 1.00 29.00 N +ATOM 177 CA GLY H 26 15.631 38.412 38.110 1.00 29.89 C +ATOM 178 C GLY H 26 16.753 37.774 37.292 1.00 31.24 C +ATOM 179 O GLY H 26 17.823 37.486 37.830 1.00 31.70 O +ATOM 180 N TYR H 27 16.518 37.538 36.001 1.00 31.66 N +ATOM 181 CA TYR H 27 17.535 37.001 35.100 1.00 32.31 C +ATOM 182 C TYR H 27 17.158 37.370 33.682 1.00 32.68 C +ATOM 183 O TYR H 27 16.000 37.730 33.420 1.00 32.70 O +ATOM 184 CB TYR H 27 17.679 35.465 35.246 1.00 32.25 C +ATOM 185 CG TYR H 27 16.491 34.646 34.741 1.00 30.91 C +ATOM 186 CD1 TYR H 27 15.391 34.394 35.563 1.00 29.60 C +ATOM 187 CD2 TYR H 27 16.483 34.113 33.450 1.00 29.87 C +ATOM 188 CE1 TYR H 27 14.297 33.649 35.098 1.00 28.47 C +ATOM 189 CE2 TYR H 27 15.382 33.374 32.961 1.00 27.35 C +ATOM 190 CZ TYR H 27 14.308 33.132 33.797 1.00 27.45 C +ATOM 191 OH TYR H 27 13.234 32.380 33.340 1.00 25.38 O +ATOM 192 N THR H 28 18.118 37.252 32.766 1.00 33.30 N +ATOM 193 CA THR H 28 17.842 37.453 31.345 1.00 33.66 C +ATOM 194 C THR H 28 16.930 36.345 30.814 1.00 32.81 C +ATOM 195 O THR H 28 17.319 35.181 30.716 1.00 33.21 O +ATOM 196 CB THR H 28 19.135 37.578 30.525 1.00 33.91 C +ATOM 197 OG1 THR H 28 19.809 38.781 30.923 1.00 36.92 O +ATOM 198 CG2 THR H 28 18.814 37.833 29.055 1.00 33.90 C +ATOM 199 N PHE H 29 15.709 36.744 30.478 1.00 32.01 N +ATOM 200 CA PHE H 29 14.611 35.808 30.257 1.00 30.71 C +ATOM 201 C PHE H 29 14.887 34.836 29.109 1.00 30.88 C +ATOM 202 O PHE H 29 14.642 33.626 29.235 1.00 30.50 O +ATOM 203 CB PHE H 29 13.326 36.617 30.030 1.00 30.35 C +ATOM 204 CG PHE H 29 12.145 35.806 29.596 1.00 26.81 C +ATOM 205 CD1 PHE H 29 11.513 34.928 30.495 1.00 24.73 C +ATOM 206 CD2 PHE H 29 11.616 35.966 28.311 1.00 24.85 C +ATOM 207 CE1 PHE H 29 10.398 34.180 30.083 1.00 23.04 C +ATOM 208 CE2 PHE H 29 10.504 35.218 27.882 1.00 23.53 C +ATOM 209 CZ PHE H 29 9.879 34.332 28.787 1.00 22.91 C +ATOM 210 N THR H 30 15.434 35.355 28.011 1.00 31.20 N +ATOM 211 CA THR H 30 15.704 34.537 26.819 1.00 31.84 C +ATOM 212 C THR H 30 16.950 33.665 26.989 1.00 31.59 C +ATOM 213 O THR H 30 17.276 32.865 26.108 1.00 32.00 O +ATOM 214 CB THR H 30 15.867 35.418 25.566 1.00 31.85 C +ATOM 215 OG1 THR H 30 16.960 36.314 25.783 1.00 32.35 O +ATOM 216 CG2 THR H 30 14.669 36.346 25.356 1.00 32.91 C +ATOM 217 N GLY H 31 17.634 33.828 28.120 1.00 30.99 N +ATOM 218 CA GLY H 31 18.886 33.142 28.398 1.00 30.77 C +ATOM 219 C GLY H 31 18.750 31.715 28.906 1.00 30.67 C +ATOM 220 O GLY H 31 19.653 30.897 28.733 1.00 31.54 O +ATOM 221 N ASN H 32 17.634 31.413 29.551 1.00 29.61 N +ATOM 222 CA ASN H 32 17.451 30.090 30.156 1.00 28.86 C +ATOM 223 C ASN H 32 16.273 29.340 29.545 1.00 27.14 C +ATOM 224 O ASN H 32 15.256 29.940 29.207 1.00 27.02 O +ATOM 225 CB ASN H 32 17.186 30.240 31.643 1.00 29.58 C +ATOM 226 CG ASN H 32 18.417 30.688 32.430 1.00 32.44 C +ATOM 227 OD1 ASN H 32 19.545 30.683 31.926 1.00 36.17 O +ATOM 228 ND2 ASN H 32 18.197 31.062 33.674 1.00 32.72 N +ATOM 229 N TYR H 33 16.372 28.018 29.429 1.00 24.96 N +ATOM 230 CA TYR H 33 15.178 27.260 29.062 1.00 22.86 C +ATOM 231 C TYR H 33 14.176 27.293 30.239 1.00 20.93 C +ATOM 232 O TYR H 33 14.563 27.456 31.405 1.00 21.26 O +ATOM 233 CB TYR H 33 15.513 25.805 28.726 1.00 23.42 C +ATOM 234 CG TYR H 33 16.099 25.544 27.340 1.00 24.21 C +ATOM 235 CD1 TYR H 33 16.874 26.511 26.663 1.00 25.64 C +ATOM 236 CD2 TYR H 33 15.877 24.339 26.705 1.00 27.42 C +ATOM 237 CE1 TYR H 33 17.431 26.239 25.394 1.00 28.83 C +ATOM 238 CE2 TYR H 33 16.437 24.047 25.432 1.00 29.04 C +ATOM 239 CZ TYR H 33 17.201 25.003 24.782 1.00 32.63 C +ATOM 240 OH TYR H 33 17.719 24.696 23.516 1.00 33.90 O +ATOM 241 N MET H 34 12.893 27.172 29.907 1.00 18.12 N +ATOM 242 CA MET H 34 11.825 26.987 30.917 1.00 16.83 C +ATOM 243 C MET H 34 11.258 25.569 30.859 1.00 15.25 C +ATOM 244 O MET H 34 10.879 25.102 29.798 1.00 16.08 O +ATOM 245 CB MET H 34 10.684 28.013 30.717 1.00 16.36 C +ATOM 246 CG MET H 34 9.700 28.010 31.879 1.00 16.88 C +ATOM 247 SD MET H 34 10.436 28.805 33.318 1.00 22.46 S +ATOM 248 CE MET H 34 10.335 30.570 32.773 1.00 20.74 C +ATOM 249 N HIS H 35 11.168 24.903 32.017 1.00 15.19 N +ATOM 250 CA HIS H 35 10.620 23.531 32.083 1.00 13.22 C +ATOM 251 C HIS H 35 9.278 23.533 32.792 1.00 13.24 C +ATOM 252 O HIS H 35 9.017 24.398 33.607 1.00 13.21 O +ATOM 253 CB HIS H 35 11.559 22.641 32.921 1.00 15.28 C +ATOM 254 CG HIS H 35 12.970 22.652 32.411 1.00 15.23 C +ATOM 255 ND1 HIS H 35 13.402 21.792 31.428 1.00 16.80 N +ATOM 256 CD2 HIS H 35 14.006 23.487 32.672 1.00 17.85 C +ATOM 257 CE1 HIS H 35 14.659 22.073 31.127 1.00 19.24 C +ATOM 258 NE2 HIS H 35 15.054 23.084 31.881 1.00 18.43 N +ATOM 259 N TRP H 36 8.456 22.540 32.449 1.00 13.12 N +ATOM 260 CA TRP H 36 7.231 22.260 33.176 1.00 11.54 C +ATOM 261 C TRP H 36 7.208 20.846 33.704 1.00 12.19 C +ATOM 262 O TRP H 36 7.594 19.889 32.987 1.00 11.93 O +ATOM 263 CB TRP H 36 6.009 22.451 32.263 1.00 12.08 C +ATOM 264 CG TRP H 36 5.806 23.927 31.903 1.00 13.37 C +ATOM 265 CD1 TRP H 36 6.379 24.586 30.849 1.00 13.25 C +ATOM 266 CD2 TRP H 36 5.000 24.879 32.589 1.00 12.38 C +ATOM 267 NE1 TRP H 36 5.985 25.902 30.832 1.00 14.09 N +ATOM 268 CE2 TRP H 36 5.135 26.120 31.888 1.00 13.51 C +ATOM 269 CE3 TRP H 36 4.145 24.820 33.700 1.00 11.70 C +ATOM 270 CZ2 TRP H 36 4.456 27.280 32.270 1.00 15.12 C +ATOM 271 CZ3 TRP H 36 3.471 25.989 34.101 1.00 16.45 C +ATOM 272 CH2 TRP H 36 3.636 27.201 33.385 1.00 15.67 C +ATOM 273 N VAL H 37 6.667 20.721 34.934 1.00 11.98 N +ATOM 274 CA VAL H 37 6.503 19.408 35.597 1.00 12.64 C +ATOM 275 C VAL H 37 5.122 19.375 36.241 1.00 12.27 C +ATOM 276 O VAL H 37 4.625 20.416 36.622 1.00 15.05 O +ATOM 277 CB VAL H 37 7.596 19.254 36.716 1.00 13.29 C +ATOM 278 CG1 VAL H 37 7.404 18.033 37.596 1.00 18.23 C +ATOM 279 CG2 VAL H 37 9.004 19.278 36.095 1.00 13.84 C +ATOM 280 N ARG H 38 4.494 18.202 36.377 1.00 12.69 N +ATOM 281 CA ARG H 38 3.252 18.185 37.161 1.00 11.90 C +ATOM 282 C ARG H 38 3.224 17.047 38.158 1.00 12.07 C +ATOM 283 O ARG H 38 4.015 16.120 38.076 1.00 13.14 O +ATOM 284 CB ARG H 38 2.036 18.069 36.248 1.00 12.35 C +ATOM 285 CG ARG H 38 1.913 16.703 35.551 1.00 12.13 C +ATOM 286 CD ARG H 38 0.630 16.592 34.735 1.00 15.63 C +ATOM 287 NE ARG H 38 0.445 15.210 34.272 1.00 15.23 N +ATOM 288 CZ ARG H 38 -0.542 14.876 33.428 1.00 16.37 C +ATOM 289 NH1 ARG H 38 -1.384 15.819 32.981 1.00 17.10 N +ATOM 290 NH2 ARG H 38 -0.669 13.615 33.024 1.00 18.66 N +ATOM 291 N GLN H 39 2.237 17.098 39.046 1.00 12.79 N +ATOM 292 CA GLN H 39 2.053 15.997 39.982 1.00 12.17 C +ATOM 293 C GLN H 39 0.537 15.833 40.196 1.00 13.26 C +ATOM 294 O GLN H 39 -0.130 16.734 40.714 1.00 12.82 O +ATOM 295 CB GLN H 39 2.791 16.323 41.298 1.00 14.38 C +ATOM 296 CG GLN H 39 2.994 15.066 42.139 1.00 17.10 C +ATOM 297 CD GLN H 39 2.024 14.920 43.275 1.00 21.82 C +ATOM 298 OE1 GLN H 39 1.775 15.876 44.019 1.00 21.74 O +ATOM 299 NE2 GLN H 39 1.457 13.712 43.416 1.00 23.75 N +ATOM 300 N ALA H 40 0.009 14.710 39.738 1.00 13.15 N +ATOM 301 CA ALA H 40 -1.429 14.426 39.816 1.00 15.10 C +ATOM 302 C ALA H 40 -1.637 13.554 41.044 1.00 17.19 C +ATOM 303 O ALA H 40 -0.714 12.778 41.361 1.00 18.09 O +ATOM 304 CB ALA H 40 -1.843 13.654 38.575 1.00 15.65 C +ATOM 305 N PRO H 41 -2.794 13.694 41.734 1.00 17.15 N +ATOM 306 CA PRO H 41 -3.077 12.942 42.982 1.00 18.14 C +ATOM 307 C PRO H 41 -2.806 11.445 42.848 1.00 18.28 C +ATOM 308 O PRO H 41 -3.275 10.780 41.913 1.00 18.80 O +ATOM 309 CB PRO H 41 -4.556 13.284 43.255 1.00 17.81 C +ATOM 310 CG PRO H 41 -4.699 14.753 42.665 1.00 18.52 C +ATOM 311 CD PRO H 41 -3.913 14.576 41.355 1.00 17.46 C +ATOM 312 N GLY H 42 -1.946 10.923 43.739 1.00 20.00 N +ATOM 313 CA GLY H 42 -1.604 9.521 43.747 1.00 19.68 C +ATOM 314 C GLY H 42 -0.453 9.119 42.865 1.00 20.59 C +ATOM 315 O GLY H 42 0.015 7.983 42.972 1.00 21.91 O +ATOM 316 N GLN H 43 0.004 10.030 42.001 1.00 19.31 N +ATOM 317 CA GLN H 43 0.983 9.720 40.968 1.00 18.41 C +ATOM 318 C GLN H 43 2.341 10.416 41.178 1.00 18.41 C +ATOM 319 O GLN H 43 2.457 11.407 41.911 1.00 18.61 O +ATOM 320 CB GLN H 43 0.406 10.092 39.595 1.00 18.91 C +ATOM 321 CG GLN H 43 -1.121 9.734 39.415 1.00 22.13 C +ATOM 322 CD GLN H 43 -1.521 8.351 39.961 1.00 26.33 C +ATOM 323 OE1 GLN H 43 -2.506 8.226 40.743 1.00 29.36 O +ATOM 324 NE2 GLN H 43 -0.820 7.311 39.507 1.00 25.18 N +ATOM 325 N GLY H 44 3.337 9.882 40.486 1.00 18.21 N +ATOM 326 CA GLY H 44 4.691 10.413 40.555 1.00 19.18 C +ATOM 327 C GLY H 44 4.790 11.766 39.856 1.00 19.08 C +ATOM 328 O GLY H 44 4.137 11.971 38.843 1.00 18.91 O +ATOM 329 N LEU H 45 5.608 12.665 40.383 1.00 17.32 N +ATOM 330 CA LEU H 45 6.073 13.848 39.662 1.00 18.86 C +ATOM 331 C LEU H 45 6.436 13.492 38.222 1.00 19.13 C +ATOM 332 O LEU H 45 7.156 12.496 37.934 1.00 19.42 O +ATOM 333 CB LEU H 45 7.318 14.363 40.384 1.00 19.54 C +ATOM 334 CG LEU H 45 7.688 15.790 40.637 1.00 23.74 C +ATOM 335 CD1 LEU H 45 6.503 16.681 41.092 1.00 18.67 C +ATOM 336 CD2 LEU H 45 8.834 15.770 41.625 1.00 16.96 C +ATOM 337 N GLU H 46 5.916 14.261 37.272 1.00 17.15 N +ATOM 338 CA GLU H 46 6.350 13.971 35.932 1.00 18.27 C +ATOM 339 C GLU H 46 6.728 15.146 35.069 1.00 17.55 C +ATOM 340 O GLU H 46 6.071 16.174 35.050 1.00 17.67 O +ATOM 341 CB GLU H 46 5.428 13.028 35.243 1.00 20.21 C +ATOM 342 CG GLU H 46 4.073 13.563 34.997 1.00 20.82 C +ATOM 343 CD GLU H 46 3.196 12.536 34.292 1.00 29.18 C +ATOM 344 OE1 GLU H 46 2.006 12.812 34.098 1.00 27.97 O +ATOM 345 OE2 GLU H 46 3.693 11.452 33.895 1.00 33.95 O +ATOM 346 N TYR H 47 7.860 14.958 34.412 1.00 15.90 N +ATOM 347 CA TYR H 47 8.411 15.990 33.538 1.00 15.46 C +ATOM 348 C TYR H 47 7.576 16.133 32.276 1.00 14.97 C +ATOM 349 O TYR H 47 7.252 15.133 31.597 1.00 16.40 O +ATOM 350 CB TYR H 47 9.842 15.601 33.168 1.00 14.49 C +ATOM 351 CG TYR H 47 10.534 16.679 32.390 1.00 14.56 C +ATOM 352 CD1 TYR H 47 10.991 17.835 33.025 1.00 16.22 C +ATOM 353 CD2 TYR H 47 10.661 16.556 31.012 1.00 14.75 C +ATOM 354 CE1 TYR H 47 11.637 18.853 32.299 1.00 15.30 C +ATOM 355 CE2 TYR H 47 11.306 17.571 30.259 1.00 13.20 C +ATOM 356 CZ TYR H 47 11.779 18.695 30.916 1.00 17.39 C +ATOM 357 OH TYR H 47 12.380 19.694 30.183 1.00 18.97 O +ATOM 358 N MET H 48 7.278 17.379 31.890 1.00 13.40 N +ATOM 359 CA MET H 48 6.400 17.589 30.738 1.00 14.04 C +ATOM 360 C MET H 48 7.167 18.045 29.500 1.00 14.96 C +ATOM 361 O MET H 48 6.848 17.633 28.415 1.00 18.05 O +ATOM 362 CB MET H 48 5.272 18.559 31.056 1.00 13.76 C +ATOM 363 CG MET H 48 4.376 17.975 32.096 1.00 15.68 C +ATOM 364 SD MET H 48 3.009 19.032 32.501 1.00 16.67 S +ATOM 365 CE MET H 48 1.984 18.794 31.044 1.00 14.96 C +ATOM 366 N GLY H 49 8.138 18.896 29.686 1.00 15.42 N +ATOM 367 CA GLY H 49 8.880 19.402 28.522 1.00 15.66 C +ATOM 368 C GLY H 49 9.480 20.765 28.767 1.00 15.87 C +ATOM 369 O GLY H 49 9.478 21.282 29.873 1.00 15.18 O +ATOM 370 N TRP H 50 10.023 21.352 27.691 1.00 16.95 N +ATOM 371 CA TRP H 50 10.743 22.612 27.812 1.00 17.09 C +ATOM 372 C TRP H 50 10.500 23.498 26.603 1.00 17.16 C +ATOM 373 O TRP H 50 10.064 23.030 25.531 1.00 17.16 O +ATOM 374 CB TRP H 50 12.233 22.402 27.962 1.00 18.08 C +ATOM 375 CG TRP H 50 12.872 21.574 26.833 1.00 17.26 C +ATOM 376 CD1 TRP H 50 13.155 20.245 26.881 1.00 17.52 C +ATOM 377 CD2 TRP H 50 13.302 22.028 25.522 1.00 18.90 C +ATOM 378 NE1 TRP H 50 13.753 19.840 25.703 1.00 19.17 N +ATOM 379 CE2 TRP H 50 13.831 20.907 24.847 1.00 19.20 C +ATOM 380 CE3 TRP H 50 13.247 23.256 24.838 1.00 20.07 C +ATOM 381 CZ2 TRP H 50 14.331 20.972 23.534 1.00 19.86 C +ATOM 382 CZ3 TRP H 50 13.737 23.324 23.541 1.00 21.05 C +ATOM 383 CH2 TRP H 50 14.287 22.185 22.902 1.00 22.56 C +ATOM 384 N ILE H 51 10.731 24.788 26.823 1.00 17.87 N +ATOM 385 CA ILE H 51 10.702 25.786 25.746 1.00 18.67 C +ATOM 386 C ILE H 51 11.971 26.650 25.877 1.00 19.45 C +ATOM 387 O ILE H 51 12.386 27.000 26.975 1.00 19.15 O +ATOM 388 CB ILE H 51 9.417 26.689 25.812 1.00 18.92 C +ATOM 389 CG1 ILE H 51 9.451 27.757 24.696 1.00 18.47 C +ATOM 390 CG2 ILE H 51 9.249 27.367 27.173 1.00 17.74 C +ATOM 391 CD1 ILE H 51 8.102 28.375 24.372 1.00 14.70 C +ATOM 392 N ASN H 52 12.592 26.948 24.734 1.00 20.23 N +ATOM 393 CA ASN H 52 13.659 27.915 24.676 1.00 21.57 C +ATOM 394 C ASN H 52 13.019 29.273 24.352 1.00 22.09 C +ATOM 395 O ASN H 52 12.498 29.429 23.246 1.00 22.97 O +ATOM 396 CB ASN H 52 14.583 27.515 23.529 1.00 21.88 C +ATOM 397 CG ASN H 52 15.771 28.455 23.360 1.00 24.54 C +ATOM 398 OD1 ASN H 52 15.903 29.472 24.055 1.00 24.55 O +ATOM 399 ND2 ASN H 52 16.678 28.075 22.456 1.00 25.81 N +ATOM 400 N PRO H 52A 12.980 30.197 25.306 1.00 23.06 N +ATOM 401 CA PRO H 52A 12.296 31.482 25.084 1.00 24.88 C +ATOM 402 C PRO H 52A 13.003 32.349 24.052 1.00 26.43 C +ATOM 403 O PRO H 52A 12.359 33.266 23.520 1.00 27.16 O +ATOM 404 CB PRO H 52A 12.371 32.174 26.446 1.00 24.18 C +ATOM 405 CG PRO H 52A 12.773 31.147 27.428 1.00 25.32 C +ATOM 406 CD PRO H 52A 13.541 30.119 26.660 1.00 23.31 C +ATOM 407 N LYS H 53 14.277 32.088 23.772 1.00 27.75 N +ATOM 408 CA LYS H 53 14.982 32.836 22.717 1.00 28.71 C +ATOM 409 C LYS H 53 14.363 32.555 21.362 1.00 29.10 C +ATOM 410 O LYS H 53 13.992 33.477 20.644 1.00 30.90 O +ATOM 411 CB LYS H 53 16.481 32.516 22.672 1.00 29.24 C +ATOM 412 CG LYS H 53 17.359 33.702 22.138 1.00 32.31 C +ATOM 413 CD LYS H 53 18.505 34.017 23.084 1.00 36.77 C +ATOM 414 CE LYS H 53 19.449 35.028 22.474 1.00 39.57 C +ATOM 415 NZ LYS H 53 20.824 34.805 22.991 1.00 39.70 N +ATOM 416 N SER H 54 14.256 31.287 21.008 1.00 29.35 N +ATOM 417 CA SER H 54 13.826 30.882 19.677 1.00 29.65 C +ATOM 418 C SER H 54 12.383 30.457 19.605 1.00 29.37 C +ATOM 419 O SER H 54 11.810 30.355 18.506 1.00 30.72 O +ATOM 420 CB SER H 54 14.686 29.711 19.207 1.00 29.92 C +ATOM 421 OG SER H 54 14.470 28.575 20.050 1.00 31.50 O +ATOM 422 N GLY H 55 11.811 30.130 20.763 1.00 28.07 N +ATOM 423 CA GLY H 55 10.522 29.487 20.820 1.00 26.80 C +ATOM 424 C GLY H 55 10.551 27.992 20.510 1.00 25.31 C +ATOM 425 O GLY H 55 9.476 27.419 20.332 1.00 25.36 O +ATOM 426 N ASP H 56 11.748 27.394 20.385 1.00 24.38 N +ATOM 427 CA ASP H 56 11.875 25.947 20.122 1.00 24.20 C +ATOM 428 C ASP H 56 11.376 25.240 21.374 1.00 22.61 C +ATOM 429 O ASP H 56 11.555 25.747 22.460 1.00 21.59 O +ATOM 430 CB ASP H 56 13.304 25.488 19.849 1.00 25.14 C +ATOM 431 CG ASP H 56 13.365 24.063 19.234 1.00 27.48 C +ATOM 432 OD1 ASP H 56 14.383 23.361 19.469 1.00 32.58 O +ATOM 433 OD2 ASP H 56 12.457 23.575 18.504 1.00 28.98 O +ATOM 434 N THR H 57 10.744 24.100 21.167 1.00 22.86 N +ATOM 435 CA THR H 57 10.217 23.289 22.266 1.00 22.40 C +ATOM 436 C THR H 57 10.536 21.832 22.055 1.00 22.96 C +ATOM 437 O THR H 57 10.798 21.405 20.924 1.00 23.07 O +ATOM 438 CB THR H 57 8.713 23.424 22.344 1.00 22.25 C +ATOM 439 OG1 THR H 57 8.103 23.035 21.092 1.00 22.82 O +ATOM 440 CG2 THR H 57 8.295 24.865 22.528 1.00 21.17 C +ATOM 441 N ASN H 58 10.463 21.049 23.142 1.00 21.85 N +ATOM 442 CA ASN H 58 10.333 19.601 23.022 1.00 23.07 C +ATOM 443 C ASN H 58 9.587 19.095 24.235 1.00 22.50 C +ATOM 444 O ASN H 58 9.815 19.568 25.343 1.00 21.56 O +ATOM 445 CB ASN H 58 11.665 18.862 22.931 1.00 22.51 C +ATOM 446 CG ASN H 58 11.472 17.355 22.642 1.00 28.46 C +ATOM 447 OD1 ASN H 58 10.920 16.966 21.596 1.00 33.56 O +ATOM 448 ND2 ASN H 58 11.885 16.505 23.597 1.00 32.87 N +ATOM 449 N TYR H 59 8.724 18.126 24.000 1.00 24.24 N +ATOM 450 CA TYR H 59 7.864 17.634 25.047 1.00 25.55 C +ATOM 451 C TYR H 59 8.264 16.201 25.344 1.00 26.96 C +ATOM 452 O TYR H 59 8.740 15.472 24.436 1.00 27.93 O +ATOM 453 CB TYR H 59 6.397 17.776 24.616 1.00 25.06 C +ATOM 454 CG TYR H 59 6.096 19.169 24.100 1.00 28.57 C +ATOM 455 CD1 TYR H 59 6.269 20.283 24.922 1.00 27.59 C +ATOM 456 CD2 TYR H 59 5.671 19.381 22.798 1.00 25.89 C +ATOM 457 CE1 TYR H 59 6.022 21.563 24.455 1.00 26.62 C +ATOM 458 CE2 TYR H 59 5.412 20.661 22.318 1.00 27.92 C +ATOM 459 CZ TYR H 59 5.595 21.748 23.169 1.00 26.06 C +ATOM 460 OH TYR H 59 5.362 23.019 22.743 1.00 23.36 O +ATOM 461 N ALA H 60 8.105 15.798 26.602 1.00 27.55 N +ATOM 462 CA ALA H 60 8.215 14.386 26.963 1.00 27.38 C +ATOM 463 C ALA H 60 7.229 13.628 26.105 1.00 27.94 C +ATOM 464 O ALA H 60 6.165 14.147 25.741 1.00 26.83 O +ATOM 465 CB ALA H 60 7.913 14.157 28.450 1.00 28.17 C +ATOM 466 N GLN H 61 7.581 12.398 25.764 1.00 28.85 N +ATOM 467 CA GLN H 61 6.786 11.635 24.810 1.00 30.63 C +ATOM 468 C GLN H 61 5.301 11.571 25.147 1.00 30.44 C +ATOM 469 O GLN H 61 4.454 11.666 24.268 1.00 30.88 O +ATOM 470 CB GLN H 61 7.333 10.211 24.697 1.00 31.45 C +ATOM 471 CG GLN H 61 6.972 9.562 23.363 1.00 35.86 C +ATOM 472 CD GLN H 61 7.774 10.153 22.213 1.00 41.92 C +ATOM 473 OE1 GLN H 61 9.018 10.086 22.211 1.00 45.49 O +ATOM 474 NE2 GLN H 61 7.073 10.747 21.238 1.00 43.17 N +ATOM 475 N LYS H 62 5.005 11.371 26.432 1.00 30.47 N +ATOM 476 CA LYS H 62 3.639 11.277 26.957 1.00 30.46 C +ATOM 477 C LYS H 62 2.729 12.452 26.573 1.00 29.66 C +ATOM 478 O LYS H 62 1.516 12.295 26.504 1.00 29.98 O +ATOM 479 CB LYS H 62 3.719 11.166 28.485 1.00 30.85 C +ATOM 480 CG LYS H 62 2.408 11.003 29.205 1.00 33.26 C +ATOM 481 CD LYS H 62 2.663 10.689 30.665 1.00 37.48 C +ATOM 482 CE LYS H 62 1.374 10.738 31.447 1.00 38.37 C +ATOM 483 NZ LYS H 62 1.510 10.004 32.748 1.00 38.05 N +ATOM 484 N PHE H 63 3.321 13.624 26.323 1.00 28.61 N +ATOM 485 CA PHE H 63 2.548 14.861 26.117 1.00 28.65 C +ATOM 486 C PHE H 63 2.611 15.398 24.706 1.00 29.77 C +ATOM 487 O PHE H 63 1.879 16.345 24.348 1.00 29.19 O +ATOM 488 CB PHE H 63 3.019 15.933 27.103 1.00 27.13 C +ATOM 489 CG PHE H 63 2.815 15.523 28.505 1.00 24.75 C +ATOM 490 CD1 PHE H 63 1.528 15.434 29.006 1.00 23.79 C +ATOM 491 CD2 PHE H 63 3.888 15.168 29.305 1.00 22.73 C +ATOM 492 CE1 PHE H 63 1.307 14.999 30.285 1.00 21.22 C +ATOM 493 CE2 PHE H 63 3.691 14.712 30.599 1.00 21.74 C +ATOM 494 CZ PHE H 63 2.381 14.635 31.106 1.00 19.50 C +ATOM 495 N GLN H 64 3.477 14.776 23.907 1.00 30.68 N +ATOM 496 CA GLN H 64 3.677 15.207 22.536 1.00 31.41 C +ATOM 497 C GLN H 64 2.337 15.169 21.799 1.00 31.16 C +ATOM 498 O GLN H 64 1.628 14.148 21.805 1.00 32.34 O +ATOM 499 CB GLN H 64 4.821 14.425 21.848 1.00 31.91 C +ATOM 500 CG GLN H 64 6.089 15.315 21.703 1.00 35.91 C +ATOM 501 CD GLN H 64 7.418 14.564 21.513 1.00 41.07 C +ATOM 502 OE1 GLN H 64 7.749 13.650 22.269 1.00 42.80 O +ATOM 503 NE2 GLN H 64 8.202 14.990 20.508 1.00 43.47 N +ATOM 504 N GLY H 65 1.951 16.321 21.261 1.00 30.46 N +ATOM 505 CA GLY H 65 0.730 16.449 20.480 1.00 29.01 C +ATOM 506 C GLY H 65 -0.467 16.967 21.246 1.00 28.51 C +ATOM 507 O GLY H 65 -1.537 17.164 20.671 1.00 29.05 O +ATOM 508 N ARG H 66 -0.301 17.184 22.548 1.00 26.55 N +ATOM 509 CA ARG H 66 -1.414 17.574 23.412 1.00 25.19 C +ATOM 510 C ARG H 66 -1.033 18.822 24.241 1.00 23.68 C +ATOM 511 O ARG H 66 -1.880 19.459 24.857 1.00 23.65 O +ATOM 512 CB ARG H 66 -1.706 16.405 24.368 1.00 25.86 C +ATOM 513 CG ARG H 66 -3.056 16.417 24.940 1.00 26.64 C +ATOM 514 CD ARG H 66 -3.495 15.084 25.461 1.00 24.72 C +ATOM 515 NE ARG H 66 -2.846 14.696 26.706 1.00 26.02 N +ATOM 516 CZ ARG H 66 -3.263 15.038 27.937 1.00 24.69 C +ATOM 517 NH1 ARG H 66 -4.332 15.843 28.145 1.00 19.69 N +ATOM 518 NH2 ARG H 66 -2.587 14.552 28.975 1.00 23.49 N +ATOM 519 N VAL H 67 0.256 19.104 24.289 1.00 22.82 N +ATOM 520 CA VAL H 67 0.805 20.168 25.118 1.00 21.77 C +ATOM 521 C VAL H 67 1.521 21.116 24.162 1.00 21.61 C +ATOM 522 O VAL H 67 2.277 20.661 23.271 1.00 22.60 O +ATOM 523 CB VAL H 67 1.740 19.568 26.202 1.00 22.43 C +ATOM 524 CG1 VAL H 67 2.626 20.629 26.835 1.00 23.72 C +ATOM 525 CG2 VAL H 67 0.911 18.823 27.282 1.00 24.00 C +ATOM 526 N THR H 68 1.278 22.420 24.310 1.00 18.92 N +ATOM 527 CA THR H 68 2.015 23.425 23.554 1.00 20.06 C +ATOM 528 C THR H 68 2.564 24.493 24.498 1.00 18.45 C +ATOM 529 O THR H 68 1.810 25.086 25.279 1.00 19.46 O +ATOM 530 CB THR H 68 1.070 24.108 22.545 1.00 19.59 C +ATOM 531 OG1 THR H 68 0.550 23.136 21.613 1.00 25.03 O +ATOM 532 CG2 THR H 68 1.826 25.071 21.645 1.00 24.00 C +ATOM 533 N MET H 69 3.865 24.745 24.426 1.00 18.07 N +ATOM 534 CA MET H 69 4.439 25.853 25.184 1.00 16.58 C +ATOM 535 C MET H 69 4.742 27.046 24.267 1.00 16.48 C +ATOM 536 O MET H 69 5.205 26.881 23.124 1.00 16.81 O +ATOM 537 CB MET H 69 5.699 25.410 25.925 1.00 16.90 C +ATOM 538 CG MET H 69 5.456 24.265 26.972 1.00 16.30 C +ATOM 539 SD MET H 69 6.973 23.522 27.502 1.00 17.45 S +ATOM 540 CE MET H 69 6.275 22.198 28.427 1.00 15.39 C +ATOM 541 N THR H 70 4.448 28.233 24.769 1.00 15.44 N +ATOM 542 CA THR H 70 4.748 29.489 24.068 1.00 16.35 C +ATOM 543 C THR H 70 5.331 30.490 25.069 1.00 16.17 C +ATOM 544 O THR H 70 5.367 30.268 26.292 1.00 16.80 O +ATOM 545 CB THR H 70 3.502 30.093 23.474 1.00 14.83 C +ATOM 546 OG1 THR H 70 2.484 30.212 24.493 1.00 15.49 O +ATOM 547 CG2 THR H 70 2.888 29.193 22.384 1.00 16.32 C +ATOM 548 N ARG H 71 5.835 31.601 24.552 1.00 16.17 N +ATOM 549 CA ARG H 71 6.302 32.657 25.437 1.00 16.14 C +ATOM 550 C ARG H 71 5.961 34.027 24.840 1.00 16.65 C +ATOM 551 O ARG H 71 5.676 34.135 23.642 1.00 17.71 O +ATOM 552 CB ARG H 71 7.779 32.544 25.811 1.00 16.96 C +ATOM 553 CG ARG H 71 8.803 33.144 24.813 1.00 20.13 C +ATOM 554 CD ARG H 71 8.673 32.633 23.413 1.00 21.98 C +ATOM 555 NE ARG H 71 9.758 33.135 22.531 1.00 23.45 N +ATOM 556 CZ ARG H 71 9.694 33.152 21.208 1.00 24.13 C +ATOM 557 NH1 ARG H 71 10.728 33.610 20.495 1.00 25.07 N +ATOM 558 NH2 ARG H 71 8.616 32.711 20.579 1.00 22.66 N +ATOM 559 N ASP H 72 5.848 34.997 25.730 1.00 15.55 N +ATOM 560 CA ASP H 72 5.697 36.405 25.353 1.00 16.93 C +ATOM 561 C ASP H 72 6.869 37.111 25.997 1.00 16.83 C +ATOM 562 O ASP H 72 6.922 37.350 27.196 1.00 16.92 O +ATOM 563 CB ASP H 72 4.374 36.960 25.864 1.00 17.77 C +ATOM 564 CG ASP H 72 4.182 38.430 25.499 1.00 21.08 C +ATOM 565 OD1 ASP H 72 5.181 39.131 25.172 1.00 20.32 O +ATOM 566 OD2 ASP H 72 3.043 38.930 25.462 1.00 23.81 O +ATOM 567 N THR H 73 7.858 37.442 25.177 1.00 16.83 N +ATOM 568 CA THR H 73 9.029 38.073 25.684 1.00 17.08 C +ATOM 569 C THR H 73 8.800 39.490 26.280 1.00 17.78 C +ATOM 570 O THR H 73 9.537 39.924 27.150 1.00 19.88 O +ATOM 571 CB THR H 73 10.048 38.086 24.537 1.00 17.66 C +ATOM 572 OG1 THR H 73 10.384 36.704 24.243 1.00 18.61 O +ATOM 573 CG2 THR H 73 11.312 38.704 24.967 1.00 20.45 C +ATOM 574 N SER H 74 7.791 40.178 25.792 1.00 19.20 N +ATOM 575 CA SER H 74 7.513 41.546 26.252 1.00 20.80 C +ATOM 576 C SER H 74 7.154 41.578 27.763 1.00 20.89 C +ATOM 577 O SER H 74 7.300 42.607 28.456 1.00 21.65 O +ATOM 578 CB SER H 74 6.405 42.138 25.386 1.00 21.43 C +ATOM 579 OG SER H 74 5.132 41.625 25.727 1.00 22.25 O +ATOM 580 N ILE H 75 6.735 40.424 28.285 1.00 19.82 N +ATOM 581 CA ILE H 75 6.317 40.309 29.690 1.00 19.63 C +ATOM 582 C ILE H 75 7.014 39.154 30.414 1.00 19.46 C +ATOM 583 O ILE H 75 6.557 38.720 31.499 1.00 18.76 O +ATOM 584 CB ILE H 75 4.784 40.168 29.817 1.00 19.72 C +ATOM 585 CG1 ILE H 75 4.233 39.107 28.849 1.00 19.73 C +ATOM 586 CG2 ILE H 75 4.105 41.561 29.553 1.00 21.26 C +ATOM 587 CD1 ILE H 75 2.808 38.601 29.137 1.00 23.33 C +ATOM 588 N SER H 76 8.096 38.658 29.810 1.00 18.61 N +ATOM 589 CA SER H 76 8.898 37.579 30.418 1.00 17.91 C +ATOM 590 C SER H 76 7.997 36.452 30.946 1.00 17.02 C +ATOM 591 O SER H 76 8.206 35.963 32.056 1.00 16.43 O +ATOM 592 CB SER H 76 9.747 38.107 31.551 1.00 18.65 C +ATOM 593 OG SER H 76 10.552 39.172 31.066 1.00 22.75 O +ATOM 594 N THR H 77 7.021 36.069 30.138 1.00 15.41 N +ATOM 595 CA THR H 77 6.108 34.969 30.520 1.00 15.42 C +ATOM 596 C THR H 77 6.130 33.783 29.571 1.00 15.85 C +ATOM 597 O THR H 77 6.043 33.936 28.346 1.00 15.78 O +ATOM 598 CB THR H 77 4.660 35.561 30.619 1.00 15.25 C +ATOM 599 OG1 THR H 77 4.685 36.587 31.616 1.00 15.33 O +ATOM 600 CG2 THR H 77 3.643 34.504 31.193 1.00 15.70 C +ATOM 601 N VAL H 78 6.181 32.586 30.154 1.00 14.24 N +ATOM 602 CA VAL H 78 6.042 31.354 29.413 1.00 14.13 C +ATOM 603 C VAL H 78 4.647 30.772 29.709 1.00 13.83 C +ATOM 604 O VAL H 78 4.160 30.916 30.815 1.00 13.94 O +ATOM 605 CB VAL H 78 7.133 30.357 29.857 1.00 13.92 C +ATOM 606 CG1 VAL H 78 6.808 28.940 29.359 1.00 16.09 C +ATOM 607 CG2 VAL H 78 8.490 30.819 29.298 1.00 14.69 C +ATOM 608 N TYR H 79 4.008 30.172 28.703 1.00 14.04 N +ATOM 609 CA TYR H 79 2.693 29.554 28.850 1.00 14.07 C +ATOM 610 C TYR H 79 2.791 28.102 28.503 1.00 13.65 C +ATOM 611 O TYR H 79 3.590 27.725 27.633 1.00 13.54 O +ATOM 612 CB TYR H 79 1.710 30.169 27.841 1.00 15.24 C +ATOM 613 CG TYR H 79 1.555 31.646 28.039 1.00 15.16 C +ATOM 614 CD1 TYR H 79 0.726 32.162 29.063 1.00 13.70 C +ATOM 615 CD2 TYR H 79 2.260 32.554 27.227 1.00 19.75 C +ATOM 616 CE1 TYR H 79 0.601 33.526 29.253 1.00 16.77 C +ATOM 617 CE2 TYR H 79 2.155 33.901 27.437 1.00 20.43 C +ATOM 618 CZ TYR H 79 1.316 34.389 28.427 1.00 19.60 C +ATOM 619 OH TYR H 79 1.238 35.770 28.581 1.00 21.59 O +ATOM 620 N MET H 80 1.995 27.279 29.199 1.00 12.18 N +ATOM 621 CA MET H 80 1.783 25.894 28.761 1.00 13.32 C +ATOM 622 C MET H 80 0.318 25.649 28.611 1.00 14.04 C +ATOM 623 O MET H 80 -0.458 25.872 29.544 1.00 14.09 O +ATOM 624 CB MET H 80 2.379 24.862 29.716 1.00 13.45 C +ATOM 625 CG MET H 80 2.226 23.471 29.147 1.00 17.34 C +ATOM 626 SD MET H 80 2.992 22.198 30.156 1.00 21.94 S +ATOM 627 CE MET H 80 2.007 22.448 31.709 1.00 18.86 C +ATOM 628 N GLU H 81 -0.061 25.267 27.397 1.00 14.39 N +ATOM 629 CA GLU H 81 -1.455 24.948 27.080 1.00 15.42 C +ATOM 630 C GLU H 81 -1.589 23.442 26.975 1.00 14.88 C +ATOM 631 O GLU H 81 -0.830 22.807 26.226 1.00 16.09 O +ATOM 632 CB GLU H 81 -1.873 25.596 25.746 1.00 17.42 C +ATOM 633 CG GLU H 81 -3.333 25.317 25.418 1.00 17.31 C +ATOM 634 CD GLU H 81 -3.918 26.263 24.350 1.00 24.62 C +ATOM 635 OE1 GLU H 81 -5.000 26.847 24.566 1.00 29.69 O +ATOM 636 OE2 GLU H 81 -3.285 26.457 23.306 1.00 28.59 O +ATOM 637 N VAL H 82 -2.496 22.884 27.767 1.00 14.15 N +ATOM 638 CA VAL H 82 -2.758 21.451 27.754 1.00 14.72 C +ATOM 639 C VAL H 82 -4.161 21.306 27.175 1.00 13.97 C +ATOM 640 O VAL H 82 -5.153 21.902 27.674 1.00 14.12 O +ATOM 641 CB VAL H 82 -2.736 20.854 29.193 1.00 15.22 C +ATOM 642 CG1 VAL H 82 -2.886 19.348 29.142 1.00 15.66 C +ATOM 643 CG2 VAL H 82 -1.428 21.199 29.907 1.00 15.66 C +ATOM 644 N ARG H 82A -4.242 20.476 26.144 1.00 15.24 N +ATOM 645 CA ARG H 82A -5.486 20.229 25.446 1.00 16.04 C +ATOM 646 C ARG H 82A -6.026 18.836 25.823 1.00 16.24 C +ATOM 647 O ARG H 82A -5.302 17.993 26.392 1.00 16.17 O +ATOM 648 CB ARG H 82A -5.238 20.285 23.936 1.00 15.55 C +ATOM 649 CG ARG H 82A -5.183 21.718 23.407 1.00 18.84 C +ATOM 650 CD ARG H 82A -4.929 21.749 21.895 1.00 19.22 C +ATOM 651 NE ARG H 82A -6.048 21.090 21.226 1.00 21.72 N +ATOM 652 CZ ARG H 82A -6.024 19.885 20.642 1.00 22.70 C +ATOM 653 NH1 ARG H 82A -7.139 19.397 20.089 1.00 19.40 N +ATOM 654 NH2 ARG H 82A -4.907 19.157 20.617 1.00 24.11 N +ATOM 655 N ARG H 82B -7.265 18.601 25.419 1.00 17.55 N +ATOM 656 CA ARG H 82B -7.920 17.301 25.504 1.00 17.18 C +ATOM 657 C ARG H 82B -7.930 16.833 26.972 1.00 16.78 C +ATOM 658 O ARG H 82B -7.582 15.669 27.262 1.00 16.95 O +ATOM 659 CB ARG H 82B -7.258 16.273 24.568 1.00 18.49 C +ATOM 660 CG ARG H 82B -7.192 16.707 23.085 1.00 21.93 C +ATOM 661 CD ARG H 82B -7.011 15.574 22.048 1.00 27.89 C +ATOM 662 NE ARG H 82B -5.979 14.582 22.379 1.00 32.95 N +ATOM 663 CZ ARG H 82B -4.740 14.557 21.897 1.00 34.16 C +ATOM 664 NH1 ARG H 82B -3.911 13.587 22.284 1.00 35.61 N +ATOM 665 NH2 ARG H 82B -4.309 15.488 21.047 1.00 36.54 N +ATOM 666 N LEU H 82C -8.327 17.735 27.874 1.00 15.91 N +ATOM 667 CA LEU H 82C -8.160 17.464 29.337 1.00 15.37 C +ATOM 668 C LEU H 82C -9.013 16.277 29.757 1.00 15.96 C +ATOM 669 O LEU H 82C -10.124 16.102 29.303 1.00 16.73 O +ATOM 670 CB LEU H 82C -8.588 18.675 30.177 1.00 15.89 C +ATOM 671 CG LEU H 82C -7.563 19.819 30.117 1.00 14.92 C +ATOM 672 CD1 LEU H 82C -8.209 21.017 30.669 1.00 14.00 C +ATOM 673 CD2 LEU H 82C -6.295 19.500 30.971 1.00 14.88 C +ATOM 674 N ARG H 83 -8.479 15.455 30.640 1.00 16.48 N +ATOM 675 CA ARG H 83 -9.230 14.316 31.203 1.00 17.68 C +ATOM 676 C ARG H 83 -8.931 14.296 32.706 1.00 18.23 C +ATOM 677 O ARG H 83 -8.157 15.101 33.185 1.00 15.10 O +ATOM 678 CB ARG H 83 -8.734 13.008 30.596 1.00 20.05 C +ATOM 679 CG ARG H 83 -9.096 12.807 29.136 1.00 25.36 C +ATOM 680 CD ARG H 83 -8.488 11.548 28.494 1.00 34.23 C +ATOM 681 NE ARG H 83 -7.020 11.548 28.370 1.00 40.20 N +ATOM 682 CZ ARG H 83 -6.301 12.228 27.462 1.00 40.99 C +ATOM 683 NH1 ARG H 83 -6.886 13.029 26.565 1.00 39.59 N +ATOM 684 NH2 ARG H 83 -4.973 12.104 27.462 1.00 41.36 N +ATOM 685 N SER H 84 -9.610 13.421 33.466 1.00 18.44 N +ATOM 686 CA SER H 84 -9.358 13.358 34.916 1.00 19.44 C +ATOM 687 C SER H 84 -7.883 13.154 35.286 1.00 18.15 C +ATOM 688 O SER H 84 -7.423 13.674 36.307 1.00 18.44 O +ATOM 689 CB SER H 84 -10.285 12.290 35.554 1.00 19.99 C +ATOM 690 OG SER H 84 -9.962 11.048 35.018 1.00 26.37 O +ATOM 691 N ASP H 85 -7.131 12.443 34.430 1.00 18.91 N +ATOM 692 CA ASP H 85 -5.708 12.187 34.625 1.00 18.59 C +ATOM 693 C ASP H 85 -4.891 13.470 34.660 1.00 16.03 C +ATOM 694 O ASP H 85 -3.747 13.450 35.083 1.00 16.41 O +ATOM 695 CB ASP H 85 -5.151 11.313 33.499 1.00 19.39 C +ATOM 696 CG ASP H 85 -5.468 9.848 33.652 1.00 25.62 C +ATOM 697 OD1 ASP H 85 -5.187 9.131 32.657 1.00 30.87 O +ATOM 698 OD2 ASP H 85 -5.969 9.306 34.672 1.00 26.83 O +ATOM 699 N ASP H 86 -5.458 14.569 34.153 1.00 15.43 N +ATOM 700 CA ASP H 86 -4.762 15.854 34.092 1.00 13.91 C +ATOM 701 C ASP H 86 -5.004 16.766 35.304 1.00 14.18 C +ATOM 702 O ASP H 86 -4.371 17.826 35.432 1.00 14.84 O +ATOM 703 CB ASP H 86 -5.152 16.606 32.782 1.00 14.35 C +ATOM 704 CG ASP H 86 -4.773 15.852 31.553 1.00 13.64 C +ATOM 705 OD1 ASP H 86 -3.625 15.325 31.465 1.00 16.59 O +ATOM 706 OD2 ASP H 86 -5.599 15.715 30.597 1.00 16.96 O +ATOM 707 N THR H 87 -5.925 16.401 36.209 1.00 13.48 N +ATOM 708 CA THR H 87 -6.050 17.112 37.475 1.00 13.44 C +ATOM 709 C THR H 87 -4.750 16.946 38.221 1.00 13.16 C +ATOM 710 O THR H 87 -4.298 15.828 38.442 1.00 14.52 O +ATOM 711 CB THR H 87 -7.175 16.495 38.318 1.00 13.05 C +ATOM 712 OG1 THR H 87 -8.402 16.833 37.695 1.00 13.31 O +ATOM 713 CG2 THR H 87 -7.242 17.153 39.679 1.00 12.64 C +ATOM 714 N ALA H 88 -4.106 18.051 38.522 1.00 13.71 N +ATOM 715 CA ALA H 88 -2.705 18.003 38.991 1.00 12.77 C +ATOM 716 C ALA H 88 -2.264 19.406 39.387 1.00 12.76 C +ATOM 717 O ALA H 88 -2.932 20.429 39.034 1.00 13.10 O +ATOM 718 CB ALA H 88 -1.737 17.432 37.871 1.00 12.26 C +ATOM 719 N VAL H 89 -1.171 19.483 40.145 1.00 12.24 N +ATOM 720 CA VAL H 89 -0.459 20.748 40.309 1.00 12.28 C +ATOM 721 C VAL H 89 0.655 20.838 39.281 1.00 12.21 C +ATOM 722 O VAL H 89 1.432 19.910 39.150 1.00 12.49 O +ATOM 723 CB VAL H 89 0.141 20.943 41.726 1.00 12.85 C +ATOM 724 CG1 VAL H 89 0.780 22.288 41.815 1.00 13.11 C +ATOM 725 CG2 VAL H 89 -0.961 20.797 42.811 1.00 12.83 C +ATOM 726 N TYR H 90 0.704 21.957 38.552 1.00 11.98 N +ATOM 727 CA TYR H 90 1.647 22.137 37.420 1.00 12.27 C +ATOM 728 C TYR H 90 2.660 23.150 37.873 1.00 12.81 C +ATOM 729 O TYR H 90 2.277 24.179 38.452 1.00 14.75 O +ATOM 730 CB TYR H 90 0.884 22.700 36.171 1.00 10.24 C +ATOM 731 CG TYR H 90 -0.019 21.644 35.562 1.00 11.32 C +ATOM 732 CD1 TYR H 90 -1.291 21.347 36.123 1.00 10.86 C +ATOM 733 CD2 TYR H 90 0.401 20.874 34.503 1.00 10.31 C +ATOM 734 CE1 TYR H 90 -2.110 20.361 35.586 1.00 10.62 C +ATOM 735 CE2 TYR H 90 -0.421 19.879 33.960 1.00 12.96 C +ATOM 736 CZ TYR H 90 -1.680 19.618 34.525 1.00 12.23 C +ATOM 737 OH TYR H 90 -2.417 18.590 33.970 1.00 13.77 O +ATOM 738 N TYR H 91 3.947 22.855 37.657 1.00 13.27 N +ATOM 739 CA TYR H 91 5.033 23.726 38.107 1.00 13.50 C +ATOM 740 C TYR H 91 5.858 24.145 36.925 1.00 13.32 C +ATOM 741 O TYR H 91 6.153 23.313 36.041 1.00 13.41 O +ATOM 742 CB TYR H 91 5.982 23.011 39.059 1.00 14.03 C +ATOM 743 CG TYR H 91 5.341 22.644 40.356 1.00 14.22 C +ATOM 744 CD1 TYR H 91 4.789 21.362 40.531 1.00 15.29 C +ATOM 745 CD2 TYR H 91 5.315 23.572 41.417 1.00 16.26 C +ATOM 746 CE1 TYR H 91 4.198 21.018 41.736 1.00 14.02 C +ATOM 747 CE2 TYR H 91 4.723 23.240 42.609 1.00 15.61 C +ATOM 748 CZ TYR H 91 4.189 21.965 42.758 1.00 17.07 C +ATOM 749 OH TYR H 91 3.587 21.625 43.944 1.00 22.04 O +ATOM 750 N CYS H 92 6.286 25.398 36.908 1.00 14.26 N +ATOM 751 CA CYS H 92 7.368 25.760 35.971 1.00 13.77 C +ATOM 752 C CYS H 92 8.664 25.841 36.747 1.00 14.51 C +ATOM 753 O CYS H 92 8.634 26.020 37.966 1.00 14.79 O +ATOM 754 CB CYS H 92 7.127 27.078 35.206 1.00 14.67 C +ATOM 755 SG CYS H 92 6.861 28.490 36.297 1.00 15.14 S +ATOM 756 N ALA H 93 9.785 25.723 36.016 1.00 15.34 N +ATOM 757 CA ALA H 93 11.107 25.800 36.660 1.00 15.72 C +ATOM 758 C ALA H 93 12.132 26.230 35.639 1.00 17.02 C +ATOM 759 O ALA H 93 12.003 25.918 34.450 1.00 17.03 O +ATOM 760 CB ALA H 93 11.496 24.413 37.238 1.00 15.20 C +ATOM 761 N THR H 94 13.179 26.924 36.092 1.00 18.52 N +ATOM 762 CA THR H 94 14.225 27.347 35.164 1.00 20.64 C +ATOM 763 C THR H 94 15.592 27.191 35.795 1.00 21.72 C +ATOM 764 O THR H 94 15.716 26.936 36.991 1.00 20.48 O +ATOM 765 CB THR H 94 13.974 28.783 34.643 1.00 21.22 C +ATOM 766 OG1 THR H 94 14.891 29.074 33.567 1.00 22.57 O +ATOM 767 CG2 THR H 94 14.249 29.814 35.713 1.00 21.84 C +ATOM 768 N GLY H 95 16.615 27.311 34.952 1.00 22.06 N +ATOM 769 CA GLY H 95 18.004 27.209 35.390 1.00 23.68 C +ATOM 770 C GLY H 95 18.876 27.422 34.173 1.00 24.26 C +ATOM 771 O GLY H 95 18.363 27.516 33.060 1.00 23.35 O +ATOM 772 N TRP H 96 20.186 27.510 34.384 1.00 26.01 N +ATOM 773 CA TRP H 96 21.136 27.500 33.266 1.00 27.34 C +ATOM 774 C TRP H 96 20.930 26.236 32.404 1.00 26.76 C +ATOM 775 O TRP H 96 20.994 26.293 31.165 1.00 26.86 O +ATOM 776 CB TRP H 96 22.579 27.596 33.794 1.00 29.21 C +ATOM 777 CG TRP H 96 22.996 28.973 34.337 1.00 35.29 C +ATOM 778 CD1 TRP H 96 23.531 29.244 35.579 1.00 40.90 C +ATOM 779 CD2 TRP H 96 22.961 30.241 33.644 1.00 42.21 C +ATOM 780 NE1 TRP H 96 23.806 30.589 35.700 1.00 43.26 N +ATOM 781 CE2 TRP H 96 23.468 31.225 34.534 1.00 43.88 C +ATOM 782 CE3 TRP H 96 22.546 30.649 32.360 1.00 44.99 C +ATOM 783 CZ2 TRP H 96 23.573 32.590 34.180 1.00 46.89 C +ATOM 784 CZ3 TRP H 96 22.646 32.006 32.011 1.00 46.69 C +ATOM 785 CH2 TRP H 96 23.154 32.957 32.922 1.00 47.73 C +ATOM 786 N TRP H 97 20.612 25.119 33.058 1.00 25.32 N +ATOM 787 CA TRP H 97 20.466 23.813 32.390 1.00 24.88 C +ATOM 788 C TRP H 97 19.353 22.964 33.015 1.00 24.45 C +ATOM 789 O TRP H 97 18.536 22.361 32.312 1.00 25.83 O +ATOM 790 CB TRP H 97 21.796 23.032 32.465 1.00 23.67 C +ATOM 791 CG TRP H 97 21.690 21.574 32.104 1.00 22.98 C +ATOM 792 CD1 TRP H 97 21.836 20.496 32.950 1.00 22.70 C +ATOM 793 CD2 TRP H 97 21.386 21.025 30.819 1.00 21.36 C +ATOM 794 NE1 TRP H 97 21.669 19.320 32.256 1.00 20.29 N +ATOM 795 CE2 TRP H 97 21.380 19.619 30.947 1.00 21.57 C +ATOM 796 CE3 TRP H 97 21.122 21.578 29.553 1.00 20.90 C +ATOM 797 CZ2 TRP H 97 21.115 18.765 29.868 1.00 22.80 C +ATOM 798 CZ3 TRP H 97 20.846 20.719 28.490 1.00 20.12 C +ATOM 799 CH2 TRP H 97 20.867 19.324 28.656 1.00 23.36 C +ATOM 800 N GLY H 98 19.332 22.897 34.333 1.00 24.57 N +ATOM 801 CA GLY H 98 18.359 22.039 34.978 1.00 23.97 C +ATOM 802 C GLY H 98 17.250 22.870 35.552 1.00 23.44 C +ATOM 803 O GLY H 98 17.001 24.006 35.126 1.00 24.65 O +ATOM 804 N MET H 99 16.577 22.304 36.530 1.00 22.30 N +ATOM 805 CA MET H 99 15.451 22.979 37.170 1.00 22.39 C +ATOM 806 C MET H 99 15.836 23.524 38.554 1.00 23.14 C +ATOM 807 O MET H 99 15.564 22.905 39.574 1.00 24.22 O +ATOM 808 CB MET H 99 14.271 22.015 37.209 1.00 21.23 C +ATOM 809 CG MET H 99 13.790 21.605 35.774 1.00 21.26 C +ATOM 810 SD MET H 99 12.338 20.544 35.752 1.00 19.18 S +ATOM 811 CE MET H 99 12.912 19.057 36.566 1.00 18.17 C +ATOM 812 N ASP H 101 16.429 24.715 38.561 1.00 23.20 N +ATOM 813 CA ASP H 101 17.072 25.288 39.753 1.00 23.68 C +ATOM 814 C ASP H 101 16.116 26.081 40.639 1.00 23.18 C +ATOM 815 O ASP H 101 16.218 26.081 41.878 1.00 23.06 O +ATOM 816 CB ASP H 101 18.243 26.163 39.304 1.00 23.98 C +ATOM 817 CG ASP H 101 19.332 25.348 38.609 1.00 25.37 C +ATOM 818 OD1 ASP H 101 20.060 25.922 37.772 1.00 26.46 O +ATOM 819 OD2 ASP H 101 19.501 24.124 38.840 1.00 29.09 O +ATOM 820 N VAL H 102 15.182 26.769 39.992 1.00 21.57 N +ATOM 821 CA VAL H 102 14.228 27.618 40.699 1.00 21.46 C +ATOM 822 C VAL H 102 12.844 27.226 40.202 1.00 20.48 C +ATOM 823 O VAL H 102 12.685 27.001 39.016 1.00 20.75 O +ATOM 824 CB VAL H 102 14.506 29.090 40.427 1.00 20.99 C +ATOM 825 CG1 VAL H 102 13.446 29.966 41.065 1.00 21.23 C +ATOM 826 CG2 VAL H 102 15.919 29.447 40.991 1.00 21.84 C +ATOM 827 N TRP H 103 11.900 27.097 41.135 1.00 20.39 N +ATOM 828 CA TRP H 103 10.536 26.615 40.853 1.00 20.64 C +ATOM 829 C TRP H 103 9.501 27.695 41.100 1.00 20.50 C +ATOM 830 O TRP H 103 9.626 28.488 42.030 1.00 20.04 O +ATOM 831 CB TRP H 103 10.171 25.431 41.769 1.00 21.39 C +ATOM 832 CG TRP H 103 10.993 24.204 41.503 1.00 23.98 C +ATOM 833 CD1 TRP H 103 12.325 24.033 41.778 1.00 28.20 C +ATOM 834 CD2 TRP H 103 10.555 22.983 40.895 1.00 24.68 C +ATOM 835 NE1 TRP H 103 12.735 22.778 41.386 1.00 28.82 N +ATOM 836 CE2 TRP H 103 11.673 22.110 40.842 1.00 25.60 C +ATOM 837 CE3 TRP H 103 9.329 22.519 40.431 1.00 24.48 C +ATOM 838 CZ2 TRP H 103 11.602 20.826 40.314 1.00 24.72 C +ATOM 839 CZ3 TRP H 103 9.259 21.223 39.900 1.00 29.42 C +ATOM 840 CH2 TRP H 103 10.393 20.395 39.857 1.00 27.12 C +ATOM 841 N GLY H 104 8.463 27.713 40.266 1.00 18.06 N +ATOM 842 CA GLY H 104 7.279 28.504 40.557 1.00 18.35 C +ATOM 843 C GLY H 104 6.495 27.885 41.687 1.00 19.00 C +ATOM 844 O GLY H 104 6.815 26.787 42.168 1.00 18.95 O +ATOM 845 N GLN H 105 5.429 28.570 42.098 1.00 18.35 N +ATOM 846 CA GLN H 105 4.681 28.132 43.276 1.00 18.15 C +ATOM 847 C GLN H 105 3.649 27.009 43.016 1.00 18.02 C +ATOM 848 O GLN H 105 3.027 26.493 43.961 1.00 17.11 O +ATOM 849 CB GLN H 105 4.063 29.367 43.960 1.00 18.50 C +ATOM 850 CG GLN H 105 2.693 29.786 43.441 1.00 19.19 C +ATOM 851 CD GLN H 105 2.727 30.678 42.219 1.00 20.22 C +ATOM 852 OE1 GLN H 105 3.709 30.709 41.477 1.00 19.64 O +ATOM 853 NE2 GLN H 105 1.619 31.380 41.984 1.00 18.97 N +ATOM 854 N GLY H 106 3.484 26.635 41.751 1.00 16.25 N +ATOM 855 CA GLY H 106 2.445 25.695 41.329 1.00 14.99 C +ATOM 856 C GLY H 106 1.124 26.352 40.966 1.00 13.75 C +ATOM 857 O GLY H 106 0.758 27.402 41.509 1.00 14.73 O +ATOM 858 N THR H 107 0.419 25.678 40.061 1.00 13.19 N +ATOM 859 CA THR H 107 -0.933 26.019 39.631 1.00 13.14 C +ATOM 860 C THR H 107 -1.772 24.746 39.657 1.00 12.61 C +ATOM 861 O THR H 107 -1.462 23.785 38.969 1.00 13.27 O +ATOM 862 CB THR H 107 -0.893 26.533 38.206 1.00 12.71 C +ATOM 863 OG1 THR H 107 -0.217 27.796 38.149 1.00 14.45 O +ATOM 864 CG2 THR H 107 -2.340 26.836 37.713 1.00 13.23 C +ATOM 865 N LEU H 108 -2.857 24.743 40.431 1.00 13.35 N +ATOM 866 CA LEU H 108 -3.789 23.609 40.454 1.00 12.85 C +ATOM 867 C LEU H 108 -4.745 23.675 39.278 1.00 13.04 C +ATOM 868 O LEU H 108 -5.323 24.743 39.030 1.00 14.36 O +ATOM 869 CB LEU H 108 -4.614 23.637 41.778 1.00 13.91 C +ATOM 870 CG LEU H 108 -5.656 22.545 41.982 1.00 16.57 C +ATOM 871 CD1 LEU H 108 -5.078 21.122 41.963 1.00 17.08 C +ATOM 872 CD2 LEU H 108 -6.443 22.798 43.296 1.00 19.37 C +ATOM 873 N VAL H 109 -4.860 22.579 38.531 1.00 12.54 N +ATOM 874 CA VAL H 109 -5.916 22.464 37.503 1.00 13.81 C +ATOM 875 C VAL H 109 -6.783 21.304 37.908 1.00 14.55 C +ATOM 876 O VAL H 109 -6.265 20.189 38.147 1.00 14.59 O +ATOM 877 CB VAL H 109 -5.324 22.183 36.135 1.00 14.11 C +ATOM 878 CG1 VAL H 109 -6.440 21.997 35.074 1.00 14.38 C +ATOM 879 CG2 VAL H 109 -4.362 23.314 35.777 1.00 13.85 C +ATOM 880 N THR H 110 -8.093 21.524 37.986 1.00 15.32 N +ATOM 881 CA THR H 110 -9.008 20.423 38.381 1.00 15.85 C +ATOM 882 C THR H 110 -9.956 20.169 37.217 1.00 16.17 C +ATOM 883 O THR H 110 -10.621 21.121 36.740 1.00 16.92 O +ATOM 884 CB THR H 110 -9.811 20.837 39.607 1.00 15.24 C +ATOM 885 OG1 THR H 110 -8.915 21.075 40.711 1.00 17.54 O +ATOM 886 CG2 THR H 110 -10.688 19.652 40.084 1.00 16.53 C +ATOM 887 N VAL H 111 -9.970 18.939 36.709 1.00 16.21 N +ATOM 888 CA VAL H 111 -10.833 18.590 35.581 1.00 18.31 C +ATOM 889 C VAL H 111 -12.089 17.944 36.139 1.00 21.95 C +ATOM 890 O VAL H 111 -12.037 16.845 36.711 1.00 22.73 O +ATOM 891 CB VAL H 111 -10.125 17.660 34.589 1.00 18.06 C +ATOM 892 CG1 VAL H 111 -11.087 17.340 33.420 1.00 17.69 C +ATOM 893 CG2 VAL H 111 -8.837 18.322 34.051 1.00 15.27 C +ATOM 894 N SER H 112 -13.209 18.647 35.999 1.00 24.69 N +ATOM 895 CA SER H 112 -14.414 18.235 36.707 1.00 29.26 C +ATOM 896 C SER H 112 -15.548 18.164 35.732 1.00 32.47 C +ATOM 897 O SER H 112 -15.809 19.140 34.986 1.00 32.02 O +ATOM 898 CB SER H 112 -14.718 19.216 37.830 1.00 29.75 C +ATOM 899 OG SER H 112 -15.791 18.768 38.651 1.00 34.06 O +ATOM 900 N SER H 113 -16.200 16.998 35.756 1.00 35.30 N +ATOM 901 CA SER H 113 -17.430 16.716 35.021 1.00 38.34 C +ATOM 902 C SER H 113 -18.487 17.820 35.184 1.00 39.10 C +ATOM 903 O SER H 113 -18.643 18.484 36.222 1.00 38.96 O +ATOM 904 CB SER H 113 -18.002 15.348 35.438 1.00 38.65 C +ATOM 905 OG SER H 113 -17.207 14.704 36.441 1.00 41.74 O +HETATM 906 O HOH H 114 7.632 10.028 39.005 1.00 17.13 O +HETATM 907 O HOH H 115 -5.389 13.290 38.167 1.00 13.64 O +HETATM 908 O HOH H 116 -1.384 29.060 41.538 1.00 15.94 O +HETATM 909 O HOH H 117 0.940 27.852 24.971 1.00 17.06 O +HETATM 910 O HOH H 118 -3.746 29.279 35.646 1.00 20.43 O +HETATM 911 O HOH H 119 6.342 31.156 21.573 1.00 27.49 O +HETATM 912 O HOH H 120 -10.675 15.753 38.650 1.00 17.67 O +HETATM 913 O HOH H 121 1.666 13.130 38.141 1.00 16.30 O +HETATM 914 O HOH H 122 -3.281 26.999 42.236 1.00 17.88 O +HETATM 915 O HOH H 123 -8.479 23.790 40.551 1.00 20.90 O +HETATM 916 O HOH H 124 10.121 31.253 42.384 1.00 24.46 O +HETATM 917 O HOH H 125 -6.362 26.947 26.722 1.00 21.57 O +HETATM 918 O HOH H 126 -0.614 12.872 45.449 1.00 26.57 O +HETATM 919 O HOH H 127 13.533 31.664 30.766 1.00 22.12 O +HETATM 920 O HOH H 128 -14.101 24.179 30.640 1.00 22.43 O +HETATM 921 O HOH H 129 0.295 37.033 30.844 0.50 15.06 O +HETATM 922 O HOH H 130 -7.864 9.848 36.567 1.00 24.90 O +HETATM 923 O HOH H 131 -8.316 10.303 32.571 1.00 28.14 O +HETATM 924 O HOH H 132 14.276 18.273 29.339 1.00 26.25 O +HETATM 925 O HOH H 133 -5.093 11.177 39.768 1.00 24.28 O +HETATM 926 O HOH H 134 0.445 31.866 23.962 1.00 23.70 O +HETATM 927 O HOH H 135 2.232 37.376 32.577 1.00 21.09 O +HETATM 928 O HOH H 136 16.980 24.955 32.397 1.00 28.98 O +HETATM 929 O HOH H 137 -6.734 28.850 30.578 1.00 25.95 O +HETATM 930 O HOH H 138 -1.621 17.048 43.049 1.00 24.59 O +HETATM 931 O HOH H 139 -11.187 25.283 26.278 1.00 26.03 O +HETATM 932 O HOH H 140 0.630 11.667 36.030 1.00 27.69 O +HETATM 933 O HOH H 141 -5.354 30.221 43.023 1.00 25.45 O +HETATM 934 O HOH H 142 -5.558 12.821 24.415 1.00 66.78 O +HETATM 935 O HOH H 143 -3.961 30.718 23.389 1.00 24.97 O +HETATM 936 O HOH H 144 -9.660 25.315 42.644 1.00 31.13 O +HETATM 937 O HOH H 145 8.305 36.920 38.435 1.00 30.49 O +HETATM 938 O HOH H 146 -7.592 19.802 45.128 1.00 26.71 O +HETATM 939 O HOH H 147 -2.383 12.248 31.170 1.00 31.20 O +HETATM 940 O HOH H 148 13.523 36.777 33.618 1.00 28.07 O +HETATM 941 O HOH H 149 -12.292 12.810 32.381 1.00 29.44 O +HETATM 942 O HOH H 150 15.713 22.847 42.460 1.00 30.26 O +HETATM 943 O HOH H 151 2.613 18.983 21.185 1.00 27.59 O +HETATM 944 O HOH H 152 -4.102 17.966 42.010 1.00 27.66 O +HETATM 945 O HOH H 153 7.982 17.690 21.038 1.00 31.32 O +HETATM 946 O HOH H 154 8.312 44.927 27.413 1.00 26.86 O +HETATM 947 O HOH H 155 7.991 27.177 44.791 1.00 25.88 O +HETATM 948 O HOH H 156 4.163 32.121 19.955 1.00 31.63 O +HETATM 949 O HOH H 157 2.660 23.854 45.416 1.00 28.89 O +HETATM 950 O HOH H 158 21.202 24.694 35.662 1.00 29.25 O +HETATM 951 O HOH H 159 -1.771 22.227 22.926 1.00 31.72 O +HETATM 952 O HOH H 160 13.917 17.113 25.197 1.00 32.36 O +HETATM 953 O HOH H 161 12.559 39.267 32.727 1.00 36.31 O +HETATM 954 O HOH H 162 1.349 36.645 35.010 1.00 26.03 O +HETATM 955 O HOH H 163 12.787 27.425 43.825 1.00 29.36 O +HETATM 956 O HOH H 164 -9.365 20.468 43.265 1.00 29.84 O +HETATM 957 O HOH H 165 1.821 34.196 35.673 1.00 32.13 O +HETATM 958 O HOH H 166 8.038 20.392 19.792 1.00 29.11 O +HETATM 959 O HOH H 167 2.321 19.368 44.753 1.00 27.48 O +HETATM 960 O HOH H 168 -6.796 6.744 34.636 1.00 31.96 O +HETATM 961 O HOH H 169 -2.295 33.640 32.866 1.00 36.12 O +HETATM 962 O HOH H 170 17.647 20.151 38.260 1.00 36.26 O +HETATM 963 O HOH H 171 -1.359 4.558 40.429 1.00 35.72 O +HETATM 964 O HOH H 172 11.770 39.298 28.516 1.00 35.69 O +HETATM 965 O HOH H 173 -10.857 28.057 35.606 1.00 30.19 O +HETATM 966 O HOH H 174 7.019 28.499 20.721 1.00 33.70 O +HETATM 967 O HOH H 175 -2.003 11.665 35.510 1.00 39.58 O +HETATM 968 O HOH H 176 6.341 32.047 43.115 1.00 35.20 O +HETATM 969 O HOH H 177 20.724 28.267 37.046 1.00 38.11 O +HETATM 970 O HOH H 178 7.568 36.676 21.937 1.00 34.20 O +HETATM 971 O HOH H 179 2.242 37.930 37.324 1.00 28.85 O +HETATM 972 O HOH H 180 -1.086 10.261 33.422 1.00 34.15 O +HETATM 973 O HOH H 181 -6.755 17.105 18.159 1.00 37.00 O +HETATM 974 O HOH H 182 2.526 14.622 46.460 1.00 64.96 O +HETATM 975 O HOH H 183 7.571 30.064 45.092 1.00 36.95 O +HETATM 976 O HOH H 184 -0.561 27.887 22.911 1.00 33.26 O +HETATM 977 O HOH H 185 -0.258 34.496 40.836 1.00 29.08 O +HETATM 978 O HOH H 186 -4.057 34.464 38.516 1.00 35.36 O +HETATM 979 O HOH H 187 3.862 26.742 46.561 1.00 33.01 O +HETATM 980 O HOH H 188 4.082 9.711 36.936 1.00 32.17 O +HETATM 981 O HOH H 189 -10.783 14.833 26.666 1.00 37.58 O +HETATM 982 O HOH H 190 16.380 24.757 21.197 1.00 35.40 O +HETATM 983 O HOH H 191 9.231 40.048 34.819 1.00 30.90 O +ATOM 984 N ASP L 1 15.022 7.845 25.319 1.00 31.68 N +ATOM 985 CA ASP L 1 15.088 8.715 26.542 1.00 29.66 C +ATOM 986 C ASP L 1 15.720 7.917 27.680 1.00 27.88 C +ATOM 987 O ASP L 1 15.786 6.682 27.608 1.00 28.09 O +ATOM 988 CB ASP L 1 13.702 9.239 26.933 1.00 31.02 C +ATOM 989 CG ASP L 1 12.887 9.764 25.730 1.00 35.10 C +ATOM 990 OD1 ASP L 1 13.462 10.429 24.832 1.00 37.78 O +ATOM 991 OD2 ASP L 1 11.651 9.573 25.612 1.00 40.29 O +ATOM 992 N ILE L 2 16.186 8.605 28.722 1.00 24.08 N +ATOM 993 CA ILE L 2 16.797 7.922 29.858 1.00 21.70 C +ATOM 994 C ILE L 2 15.685 7.548 30.836 1.00 20.50 C +ATOM 995 O ILE L 2 14.847 8.386 31.146 1.00 19.93 O +ATOM 996 CB ILE L 2 17.880 8.810 30.511 1.00 21.03 C +ATOM 997 CG1 ILE L 2 18.991 9.101 29.473 1.00 23.45 C +ATOM 998 CG2 ILE L 2 18.495 8.145 31.790 1.00 22.25 C +ATOM 999 CD1 ILE L 2 20.058 10.077 29.951 1.00 22.16 C +ATOM 1000 N VAL L 3 15.640 6.277 31.239 1.00 19.15 N +ATOM 1001 CA VAL L 3 14.592 5.807 32.168 1.00 18.54 C +ATOM 1002 C VAL L 3 15.241 5.670 33.532 1.00 16.56 C +ATOM 1003 O VAL L 3 16.296 5.057 33.631 1.00 17.50 O +ATOM 1004 CB VAL L 3 13.986 4.449 31.757 1.00 19.96 C +ATOM 1005 CG1 VAL L 3 12.871 4.062 32.780 1.00 19.48 C +ATOM 1006 CG2 VAL L 3 13.360 4.560 30.382 1.00 22.89 C +ATOM 1007 N MET L 4 14.624 6.256 34.575 1.00 14.56 N +ATOM 1008 CA MET L 4 15.178 6.156 35.917 1.00 14.79 C +ATOM 1009 C MET L 4 14.277 5.221 36.717 1.00 13.66 C +ATOM 1010 O MET L 4 13.123 5.572 36.951 1.00 15.31 O +ATOM 1011 CB MET L 4 15.191 7.547 36.589 1.00 14.29 C +ATOM 1012 CG MET L 4 16.187 8.550 35.917 1.00 16.13 C +ATOM 1013 SD MET L 4 17.852 7.938 35.681 1.00 15.57 S +ATOM 1014 CE MET L 4 18.323 7.451 37.508 1.00 17.72 C +ATOM 1015 N THR L 5 14.792 4.070 37.133 1.00 12.99 N +ATOM 1016 CA THR L 5 13.969 3.112 37.896 1.00 13.06 C +ATOM 1017 C THR L 5 14.253 3.310 39.370 1.00 12.40 C +ATOM 1018 O THR L 5 15.367 3.091 39.804 1.00 13.05 O +ATOM 1019 CB THR L 5 14.350 1.702 37.507 1.00 14.34 C +ATOM 1020 OG1 THR L 5 14.040 1.531 36.105 1.00 14.88 O +ATOM 1021 CG2 THR L 5 13.438 0.695 38.233 1.00 15.43 C +ATOM 1022 N GLN L 6 13.230 3.686 40.141 1.00 11.41 N +ATOM 1023 CA GLN L 6 13.451 4.058 41.542 1.00 11.55 C +ATOM 1024 C GLN L 6 12.795 2.992 42.429 1.00 11.15 C +ATOM 1025 O GLN L 6 11.717 2.476 42.122 1.00 11.64 O +ATOM 1026 CB GLN L 6 12.791 5.399 41.844 1.00 12.07 C +ATOM 1027 CG GLN L 6 13.121 5.863 43.252 1.00 11.55 C +ATOM 1028 CD GLN L 6 12.752 7.309 43.492 1.00 11.98 C +ATOM 1029 OE1 GLN L 6 12.566 8.114 42.544 1.00 11.91 O +ATOM 1030 NE2 GLN L 6 12.679 7.674 44.758 1.00 11.03 N +ATOM 1031 N SER L 7 13.487 2.641 43.509 1.00 10.58 N +ATOM 1032 CA SER L 7 12.948 1.619 44.416 1.00 11.34 C +ATOM 1033 C SER L 7 13.319 1.924 45.881 1.00 11.25 C +ATOM 1034 O SER L 7 14.338 2.546 46.146 1.00 11.85 O +ATOM 1035 CB SER L 7 13.537 0.247 44.031 1.00 11.10 C +ATOM 1036 OG SER L 7 12.829 -0.817 44.699 1.00 13.75 O +ATOM 1037 N PRO L 8 12.512 1.493 46.855 1.00 11.47 N +ATOM 1038 CA PRO L 8 11.127 1.026 46.716 1.00 11.02 C +ATOM 1039 C PRO L 8 10.204 2.100 46.129 1.00 11.98 C +ATOM 1040 O PRO L 8 10.529 3.259 46.165 1.00 12.01 O +ATOM 1041 CB PRO L 8 10.698 0.768 48.214 1.00 11.66 C +ATOM 1042 CG PRO L 8 12.003 0.626 48.965 1.00 13.12 C +ATOM 1043 CD PRO L 8 12.971 1.572 48.258 1.00 12.00 C +ATOM 1044 N SER L 9 9.050 1.712 45.610 1.00 11.16 N +ATOM 1045 CA SER L 9 8.111 2.708 45.182 1.00 11.07 C +ATOM 1046 C SER L 9 7.327 3.266 46.393 1.00 12.37 C +ATOM 1047 O SER L 9 6.839 4.381 46.362 1.00 12.04 O +ATOM 1048 CB SER L 9 7.187 2.116 44.108 1.00 13.72 C +ATOM 1049 OG SER L 9 6.564 0.935 44.594 1.00 15.64 O +ATOM 1050 N SER L 10 7.265 2.468 47.456 1.00 12.31 N +ATOM 1051 CA SER L 10 6.648 2.923 48.724 1.00 12.18 C +ATOM 1052 C SER L 10 7.270 2.107 49.849 1.00 11.29 C +ATOM 1053 O SER L 10 7.707 0.989 49.616 1.00 11.47 O +ATOM 1054 CB SER L 10 5.120 2.754 48.744 1.00 14.50 C +ATOM 1055 OG SER L 10 4.762 1.423 48.519 1.00 18.13 O +ATOM 1056 N LEU L 11 7.351 2.707 51.034 1.00 11.22 N +ATOM 1057 CA LEU L 11 7.854 1.981 52.217 1.00 10.99 C +ATOM 1058 C LEU L 11 7.267 2.606 53.474 1.00 10.83 C +ATOM 1059 O LEU L 11 6.977 3.804 53.480 1.00 10.20 O +ATOM 1060 CB LEU L 11 9.385 1.977 52.269 1.00 11.50 C +ATOM 1061 CG LEU L 11 10.140 3.279 52.467 1.00 10.79 C +ATOM 1062 CD1 LEU L 11 10.320 3.447 53.991 1.00 11.69 C +ATOM 1063 CD2 LEU L 11 11.519 3.260 51.757 1.00 12.60 C +ATOM 1064 N SER L 12 7.143 1.781 54.528 1.00 11.48 N +ATOM 1065 CA SER L 12 6.726 2.301 55.848 1.00 11.47 C +ATOM 1066 C SER L 12 7.881 2.054 56.793 1.00 11.59 C +ATOM 1067 O SER L 12 8.479 0.955 56.766 1.00 12.06 O +ATOM 1068 CB SER L 12 5.498 1.517 56.377 1.00 12.19 C +ATOM 1069 OG SER L 12 4.359 1.766 55.580 1.00 18.42 O +ATOM 1070 N ALA L 13 8.231 3.055 57.598 1.00 11.92 N +ATOM 1071 CA ALA L 13 9.343 2.902 58.562 1.00 12.07 C +ATOM 1072 C ALA L 13 8.957 3.735 59.777 1.00 13.42 C +ATOM 1073 O ALA L 13 7.930 4.430 59.761 1.00 14.70 O +ATOM 1074 CB ALA L 13 10.705 3.372 57.977 1.00 12.16 C +ATOM 1075 N SER L 14 9.811 3.677 60.782 1.00 13.57 N +ATOM 1076 CA SER L 14 9.534 4.369 62.034 1.00 14.11 C +ATOM 1077 C SER L 14 10.673 5.316 62.331 1.00 13.85 C +ATOM 1078 O SER L 14 11.793 5.200 61.830 1.00 13.28 O +ATOM 1079 CB SER L 14 9.374 3.343 63.163 1.00 14.94 C +ATOM 1080 OG SER L 14 8.238 2.571 62.963 1.00 19.20 O +ATOM 1081 N VAL L 15 10.376 6.283 63.174 1.00 14.90 N +ATOM 1082 CA VAL L 15 11.358 7.283 63.546 1.00 14.40 C +ATOM 1083 C VAL L 15 12.541 6.584 64.158 1.00 14.27 C +ATOM 1084 O VAL L 15 12.375 5.659 64.990 1.00 15.03 O +ATOM 1085 CB VAL L 15 10.719 8.266 64.555 1.00 13.61 C +ATOM 1086 CG1 VAL L 15 11.788 9.194 65.180 1.00 15.30 C +ATOM 1087 CG2 VAL L 15 9.682 9.098 63.851 1.00 17.23 C +ATOM 1088 N GLY L 16 13.714 6.943 63.638 1.00 13.88 N +ATOM 1089 CA GLY L 16 15.012 6.445 64.078 1.00 14.05 C +ATOM 1090 C GLY L 16 15.601 5.375 63.158 1.00 13.12 C +ATOM 1091 O GLY L 16 16.762 5.061 63.263 1.00 15.47 O +ATOM 1092 N ASP L 17 14.789 4.889 62.215 1.00 12.71 N +ATOM 1093 CA ASP L 17 15.242 3.932 61.220 1.00 13.32 C +ATOM 1094 C ASP L 17 16.126 4.592 60.146 1.00 13.91 C +ATOM 1095 O ASP L 17 15.956 5.787 59.773 1.00 14.24 O +ATOM 1096 CB ASP L 17 14.041 3.345 60.474 1.00 12.50 C +ATOM 1097 CG ASP L 17 13.188 2.441 61.316 1.00 14.44 C +ATOM 1098 OD1 ASP L 17 13.576 2.053 62.463 1.00 15.22 O +ATOM 1099 OD2 ASP L 17 12.121 2.028 60.850 1.00 12.73 O +ATOM 1100 N ARG L 18 17.046 3.780 59.607 1.00 13.29 N +ATOM 1101 CA ARG L 18 17.751 4.163 58.407 1.00 13.24 C +ATOM 1102 C ARG L 18 16.846 3.862 57.204 1.00 14.24 C +ATOM 1103 O ARG L 18 16.208 2.824 57.171 1.00 15.28 O +ATOM 1104 CB ARG L 18 19.055 3.376 58.307 1.00 14.51 C +ATOM 1105 CG ARG L 18 19.942 3.717 57.044 1.00 16.18 C +ATOM 1106 CD ARG L 18 21.143 2.730 56.902 1.00 22.22 C +ATOM 1107 NE ARG L 18 21.848 2.760 58.163 1.00 29.33 N +ATOM 1108 CZ ARG L 18 22.255 1.693 58.847 1.00 28.00 C +ATOM 1109 NH1 ARG L 18 22.855 1.897 59.994 1.00 30.79 N +ATOM 1110 NH2 ARG L 18 22.103 0.451 58.382 1.00 25.83 N +ATOM 1111 N VAL L 19 16.784 4.782 56.248 1.00 11.17 N +ATOM 1112 CA VAL L 19 16.021 4.493 55.020 1.00 11.85 C +ATOM 1113 C VAL L 19 17.003 4.534 53.864 1.00 10.75 C +ATOM 1114 O VAL L 19 17.775 5.465 53.749 1.00 12.83 O +ATOM 1115 CB VAL L 19 14.912 5.554 54.809 1.00 10.82 C +ATOM 1116 CG1 VAL L 19 14.274 5.430 53.424 1.00 14.88 C +ATOM 1117 CG2 VAL L 19 13.815 5.391 55.928 1.00 14.50 C +ATOM 1118 N THR L 20 16.885 3.555 52.963 1.00 11.34 N +ATOM 1119 CA THR L 20 17.779 3.422 51.778 1.00 10.76 C +ATOM 1120 C THR L 20 16.908 3.347 50.521 1.00 11.37 C +ATOM 1121 O THR L 20 16.088 2.457 50.378 1.00 13.29 O +ATOM 1122 CB THR L 20 18.583 2.134 51.934 1.00 11.89 C +ATOM 1123 OG1 THR L 20 19.492 2.279 53.056 1.00 14.98 O +ATOM 1124 CG2 THR L 20 19.513 1.896 50.719 1.00 12.63 C +ATOM 1125 N ILE L 21 17.123 4.307 49.593 1.00 10.20 N +ATOM 1126 CA ILE L 21 16.314 4.416 48.369 1.00 10.49 C +ATOM 1127 C ILE L 21 17.286 4.388 47.170 1.00 11.20 C +ATOM 1128 O ILE L 21 18.376 4.950 47.276 1.00 13.08 O +ATOM 1129 CB ILE L 21 15.596 5.756 48.379 1.00 10.67 C +ATOM 1130 CG1 ILE L 21 14.417 5.720 49.361 1.00 11.86 C +ATOM 1131 CG2 ILE L 21 15.009 6.052 46.985 1.00 10.16 C +ATOM 1132 CD1 ILE L 21 13.974 7.121 49.841 1.00 11.92 C +ATOM 1133 N THR L 22 16.941 3.660 46.101 1.00 10.61 N +ATOM 1134 CA THR L 22 17.861 3.545 44.949 1.00 12.59 C +ATOM 1135 C THR L 22 17.256 4.094 43.694 1.00 11.31 C +ATOM 1136 O THR L 22 16.045 4.105 43.550 1.00 11.55 O +ATOM 1137 CB THR L 22 18.368 2.130 44.650 1.00 14.49 C +ATOM 1138 OG1 THR L 22 17.267 1.239 44.358 1.00 18.94 O +ATOM 1139 CG2 THR L 22 19.123 1.581 45.869 1.00 16.49 C +ATOM 1140 N CYS L 23 18.124 4.545 42.786 1.00 11.90 N +ATOM 1141 CA CYS L 23 17.670 4.793 41.425 1.00 12.45 C +ATOM 1142 C CYS L 23 18.695 4.211 40.486 1.00 12.28 C +ATOM 1143 O CYS L 23 19.884 4.335 40.721 1.00 13.59 O +ATOM 1144 CB CYS L 23 17.564 6.293 41.167 1.00 13.38 C +ATOM 1145 SG CYS L 23 15.941 6.944 41.477 1.00 13.47 S +ATOM 1146 N ARG L 24 18.190 3.523 39.489 1.00 14.39 N +ATOM 1147 CA ARG L 24 19.051 2.924 38.454 1.00 14.81 C +ATOM 1148 C ARG L 24 18.737 3.626 37.150 1.00 14.69 C +ATOM 1149 O ARG L 24 17.575 3.750 36.773 1.00 15.00 O +ATOM 1150 CB ARG L 24 18.831 1.424 38.333 1.00 16.34 C +ATOM 1151 CG ARG L 24 19.012 0.622 39.669 1.00 21.33 C +ATOM 1152 CD ARG L 24 20.424 0.627 40.300 1.00 28.08 C +ATOM 1153 NE ARG L 24 21.489 0.550 39.293 1.00 31.76 N +ATOM 1154 CZ ARG L 24 22.169 -0.550 38.982 1.00 35.94 C +ATOM 1155 NH1 ARG L 24 21.920 -1.716 39.600 1.00 35.66 N +ATOM 1156 NH2 ARG L 24 23.105 -0.486 38.036 1.00 38.83 N +ATOM 1157 N ALA L 25 19.794 4.047 36.433 1.00 15.61 N +ATOM 1158 CA ALA L 25 19.650 4.735 35.152 1.00 15.01 C +ATOM 1159 C ALA L 25 19.791 3.696 34.011 1.00 16.32 C +ATOM 1160 O ALA L 25 20.582 2.753 34.119 1.00 16.98 O +ATOM 1161 CB ALA L 25 20.736 5.795 34.990 1.00 15.79 C +ATOM 1162 N SER L 26 19.056 3.922 32.930 1.00 16.69 N +ATOM 1163 CA SER L 26 19.019 2.981 31.793 1.00 17.33 C +ATOM 1164 C SER L 26 20.299 3.051 30.975 1.00 18.70 C +ATOM 1165 O SER L 26 20.584 2.127 30.184 1.00 18.86 O +ATOM 1166 CB SER L 26 17.802 3.246 30.905 1.00 17.64 C +ATOM 1167 OG SER L 26 17.798 4.592 30.434 1.00 18.65 O +ATOM 1168 N GLN L 27 21.016 4.154 31.103 1.00 18.22 N +ATOM 1169 CA GLN L 27 22.361 4.290 30.534 1.00 20.51 C +ATOM 1170 C GLN L 27 23.203 5.117 31.471 1.00 21.11 C +ATOM 1171 O GLN L 27 22.666 5.754 32.400 1.00 19.94 O +ATOM 1172 CB GLN L 27 22.306 4.887 29.112 1.00 20.66 C +ATOM 1173 CG GLN L 27 21.810 6.307 29.050 1.00 23.53 C +ATOM 1174 CD GLN L 27 21.612 6.787 27.626 1.00 20.81 C +ATOM 1175 OE1 GLN L 27 20.613 6.447 26.966 1.00 26.26 O +ATOM 1176 NE2 GLN L 27 22.570 7.588 27.144 1.00 25.64 N +ATOM 1177 N ASN L 28 24.513 5.113 31.265 1.00 20.54 N +ATOM 1178 CA ASN L 28 25.419 5.859 32.123 1.00 21.69 C +ATOM 1179 C ASN L 28 25.108 7.342 32.134 1.00 21.43 C +ATOM 1180 O ASN L 28 25.019 7.965 31.066 1.00 22.57 O +ATOM 1181 CB ASN L 28 26.879 5.640 31.732 1.00 23.19 C +ATOM 1182 CG ASN L 28 27.824 5.888 32.894 1.00 27.11 C +ATOM 1183 OD1 ASN L 28 28.410 4.943 33.468 1.00 36.16 O +ATOM 1184 ND2 ASN L 28 27.947 7.123 33.283 1.00 26.19 N +ATOM 1185 N ILE L 29 24.929 7.899 33.333 1.00 19.74 N +ATOM 1186 CA ILE L 29 24.657 9.347 33.488 1.00 17.44 C +ATOM 1187 C ILE L 29 25.698 10.048 34.367 1.00 18.14 C +ATOM 1188 O ILE L 29 25.479 11.166 34.883 1.00 18.53 O +ATOM 1189 CB ILE L 29 23.229 9.606 34.017 1.00 15.95 C +ATOM 1190 CG1 ILE L 29 22.967 8.868 35.334 1.00 13.60 C +ATOM 1191 CG2 ILE L 29 22.172 9.163 33.043 1.00 14.75 C +ATOM 1192 CD1 ILE L 29 21.691 9.449 36.116 1.00 13.19 C +ATOM 1193 N ASN L 30 26.836 9.380 34.546 1.00 19.68 N +ATOM 1194 CA ASN L 30 27.967 9.928 35.306 1.00 19.91 C +ATOM 1195 C ASN L 30 27.485 10.343 36.713 1.00 19.64 C +ATOM 1196 O ASN L 30 26.967 9.511 37.449 1.00 20.05 O +ATOM 1197 CB ASN L 30 28.625 11.098 34.530 1.00 21.42 C +ATOM 1198 CG ASN L 30 28.829 10.805 33.007 1.00 27.20 C +ATOM 1199 OD1 ASN L 30 29.693 10.007 32.630 1.00 33.10 O +ATOM 1200 ND2 ASN L 30 28.018 11.465 32.136 1.00 28.72 N +ATOM 1201 N ASN L 31 27.616 11.606 37.076 1.00 19.43 N +ATOM 1202 CA ASN L 31 27.110 12.067 38.373 1.00 19.01 C +ATOM 1203 C ASN L 31 25.938 13.034 38.260 1.00 18.55 C +ATOM 1204 O ASN L 31 25.649 13.779 39.215 1.00 18.21 O +ATOM 1205 CB ASN L 31 28.237 12.709 39.183 1.00 20.75 C +ATOM 1206 CG ASN L 31 28.775 13.963 38.519 1.00 24.02 C +ATOM 1207 OD1 ASN L 31 28.664 14.136 37.290 1.00 30.21 O +ATOM 1208 ND2 ASN L 31 29.342 14.865 39.333 1.00 30.18 N +ATOM 1209 N TYR L 32 25.265 13.027 37.106 1.00 17.96 N +ATOM 1210 CA TYR L 32 24.220 14.014 36.824 1.00 17.39 C +ATOM 1211 C TYR L 32 22.856 13.496 37.344 1.00 16.10 C +ATOM 1212 O TYR L 32 21.921 13.187 36.576 1.00 15.80 O +ATOM 1213 CB TYR L 32 24.134 14.320 35.316 1.00 17.30 C +ATOM 1214 CG TYR L 32 25.408 14.910 34.741 1.00 20.19 C +ATOM 1215 CD1 TYR L 32 25.801 16.204 35.077 1.00 25.27 C +ATOM 1216 CD2 TYR L 32 26.199 14.180 33.875 1.00 24.40 C +ATOM 1217 CE1 TYR L 32 26.958 16.759 34.549 1.00 27.72 C +ATOM 1218 CE2 TYR L 32 27.369 14.724 33.339 1.00 26.57 C +ATOM 1219 CZ TYR L 32 27.740 16.017 33.714 1.00 28.19 C +ATOM 1220 OH TYR L 32 28.892 16.611 33.223 1.00 31.24 O +ATOM 1221 N LEU L 33 22.754 13.428 38.669 1.00 15.66 N +ATOM 1222 CA LEU L 33 21.628 12.800 39.337 1.00 14.66 C +ATOM 1223 C LEU L 33 21.403 13.602 40.621 1.00 14.87 C +ATOM 1224 O LEU L 33 22.347 13.821 41.422 1.00 15.74 O +ATOM 1225 CB LEU L 33 21.997 11.337 39.628 1.00 14.65 C +ATOM 1226 CG LEU L 33 20.843 10.428 40.139 1.00 16.81 C +ATOM 1227 CD1 LEU L 33 20.591 10.665 41.631 1.00 15.36 C +ATOM 1228 CD2 LEU L 33 19.563 10.535 39.323 1.00 18.32 C +ATOM 1229 N HIS L 34 20.162 14.039 40.820 1.00 14.39 N +ATOM 1230 CA HIS L 34 19.809 14.826 42.007 1.00 13.79 C +ATOM 1231 C HIS L 34 18.694 14.154 42.744 1.00 12.30 C +ATOM 1232 O HIS L 34 17.927 13.389 42.144 1.00 12.63 O +ATOM 1233 CB HIS L 34 19.399 16.224 41.581 1.00 15.28 C +ATOM 1234 CG HIS L 34 20.358 16.761 40.580 1.00 18.54 C +ATOM 1235 ND1 HIS L 34 20.092 16.758 39.229 1.00 25.42 N +ATOM 1236 CD2 HIS L 34 21.666 17.066 40.708 1.00 19.16 C +ATOM 1237 CE1 HIS L 34 21.171 17.169 38.579 1.00 22.06 C +ATOM 1238 NE2 HIS L 34 22.141 17.360 39.457 1.00 26.13 N +ATOM 1239 N TRP L 35 18.621 14.442 44.027 1.00 13.85 N +ATOM 1240 CA TRP L 35 17.534 13.887 44.874 1.00 11.99 C +ATOM 1241 C TRP L 35 16.657 15.014 45.414 1.00 13.16 C +ATOM 1242 O TRP L 35 17.203 15.975 45.957 1.00 13.27 O +ATOM 1243 CB TRP L 35 18.125 13.108 46.040 1.00 13.15 C +ATOM 1244 CG TRP L 35 18.786 11.849 45.638 1.00 12.57 C +ATOM 1245 CD1 TRP L 35 20.147 11.644 45.495 1.00 14.46 C +ATOM 1246 CD2 TRP L 35 18.158 10.592 45.310 1.00 12.08 C +ATOM 1247 NE1 TRP L 35 20.381 10.355 45.092 1.00 12.19 N +ATOM 1248 CE2 TRP L 35 19.188 9.685 44.961 1.00 11.62 C +ATOM 1249 CE3 TRP L 35 16.833 10.150 45.249 1.00 10.90 C +ATOM 1250 CZ2 TRP L 35 18.939 8.341 44.605 1.00 13.13 C +ATOM 1251 CZ3 TRP L 35 16.576 8.793 44.902 1.00 11.30 C +ATOM 1252 CH2 TRP L 35 17.641 7.912 44.561 1.00 11.90 C +ATOM 1253 N TYR L 36 15.334 14.860 45.268 1.00 12.73 N +ATOM 1254 CA TYR L 36 14.316 15.814 45.735 1.00 11.95 C +ATOM 1255 C TYR L 36 13.417 15.200 46.786 1.00 12.33 C +ATOM 1256 O TYR L 36 13.154 14.005 46.772 1.00 12.23 O +ATOM 1257 CB TYR L 36 13.371 16.228 44.582 1.00 12.59 C +ATOM 1258 CG TYR L 36 14.034 17.193 43.638 1.00 13.24 C +ATOM 1259 CD1 TYR L 36 13.915 18.561 43.812 1.00 17.59 C +ATOM 1260 CD2 TYR L 36 14.831 16.716 42.616 1.00 14.80 C +ATOM 1261 CE1 TYR L 36 14.617 19.440 42.931 1.00 19.30 C +ATOM 1262 CE2 TYR L 36 15.527 17.575 41.741 1.00 19.02 C +ATOM 1263 CZ TYR L 36 15.409 18.926 41.916 1.00 21.03 C +ATOM 1264 OH TYR L 36 16.098 19.752 41.027 1.00 23.78 O +ATOM 1265 N GLN L 37 12.922 16.055 47.673 1.00 12.09 N +ATOM 1266 CA GLN L 37 11.879 15.692 48.606 1.00 12.95 C +ATOM 1267 C GLN L 37 10.615 16.427 48.138 1.00 13.79 C +ATOM 1268 O GLN L 37 10.686 17.613 47.796 1.00 15.60 O +ATOM 1269 CB GLN L 37 12.310 16.153 49.992 1.00 12.34 C +ATOM 1270 CG GLN L 37 11.189 15.999 51.060 1.00 13.30 C +ATOM 1271 CD GLN L 37 11.606 16.623 52.361 1.00 16.80 C +ATOM 1272 OE1 GLN L 37 11.666 17.861 52.472 1.00 18.65 O +ATOM 1273 NE2 GLN L 37 11.940 15.786 53.343 1.00 14.84 N +ATOM 1274 N HIS L 38 9.480 15.727 48.114 1.00 14.38 N +ATOM 1275 CA HIS L 38 8.231 16.347 47.733 1.00 15.44 C +ATOM 1276 C HIS L 38 7.144 16.142 48.775 1.00 15.96 C +ATOM 1277 O HIS L 38 6.737 15.035 49.049 1.00 15.57 O +ATOM 1278 CB HIS L 38 7.743 15.871 46.382 1.00 15.75 C +ATOM 1279 CG HIS L 38 6.645 16.743 45.842 1.00 16.56 C +ATOM 1280 ND1 HIS L 38 5.599 16.255 45.095 1.00 19.01 N +ATOM 1281 CD2 HIS L 38 6.405 18.067 46.011 1.00 17.74 C +ATOM 1282 CE1 HIS L 38 4.774 17.244 44.795 1.00 19.35 C +ATOM 1283 NE2 HIS L 38 5.234 18.353 45.346 1.00 17.70 N +ATOM 1284 N GLU L 39 6.642 17.254 49.282 1.00 18.71 N +ATOM 1285 CA GLU L 39 5.418 17.223 50.097 1.00 21.48 C +ATOM 1286 C GLU L 39 4.293 17.782 49.225 1.00 24.52 C +ATOM 1287 O GLU L 39 4.412 18.932 48.807 1.00 23.27 O +ATOM 1288 CB GLU L 39 5.643 18.095 51.315 1.00 21.75 C +ATOM 1289 CG GLU L 39 6.701 17.538 52.260 1.00 22.64 C +ATOM 1290 CD GLU L 39 7.080 18.521 53.348 1.00 25.61 C +ATOM 1291 OE1 GLU L 39 7.913 19.415 53.100 1.00 27.92 O +ATOM 1292 OE2 GLU L 39 6.512 18.440 54.464 1.00 26.11 O +ATOM 1293 N PRO L 40 3.241 16.991 48.914 1.00 27.84 N +ATOM 1294 CA PRO L 40 2.164 17.442 48.008 1.00 29.21 C +ATOM 1295 C PRO L 40 1.618 18.785 48.474 1.00 30.19 C +ATOM 1296 O PRO L 40 1.290 18.919 49.662 1.00 30.66 O +ATOM 1297 CB PRO L 40 1.076 16.346 48.151 1.00 30.26 C +ATOM 1298 CG PRO L 40 1.440 15.602 49.471 1.00 30.86 C +ATOM 1299 CD PRO L 40 2.961 15.648 49.457 1.00 28.10 C +ATOM 1300 N GLY L 41 1.542 19.757 47.557 1.00 30.71 N +ATOM 1301 CA GLY L 41 1.234 21.130 47.916 1.00 30.85 C +ATOM 1302 C GLY L 41 2.397 22.114 48.014 1.00 31.22 C +ATOM 1303 O GLY L 41 2.168 23.301 48.266 1.00 32.78 O +ATOM 1304 N LYS L 42 3.641 21.647 47.844 1.00 28.92 N +ATOM 1305 CA LYS L 42 4.823 22.536 47.831 1.00 27.16 C +ATOM 1306 C LYS L 42 5.619 22.156 46.608 1.00 24.92 C +ATOM 1307 O LYS L 42 5.453 21.052 46.115 1.00 24.42 O +ATOM 1308 CB LYS L 42 5.713 22.325 49.054 1.00 27.33 C +ATOM 1309 CG LYS L 42 5.006 22.259 50.383 1.00 29.92 C +ATOM 1310 CD LYS L 42 6.044 22.061 51.452 1.00 30.21 C +ATOM 1311 CE LYS L 42 5.495 22.286 52.830 1.00 34.34 C +ATOM 1312 NZ LYS L 42 6.234 21.398 53.762 1.00 36.88 N +ATOM 1313 N ALA L 43 6.450 23.051 46.080 1.00 23.31 N +ATOM 1314 CA ALA L 43 7.323 22.662 44.977 1.00 22.30 C +ATOM 1315 C ALA L 43 8.297 21.620 45.530 1.00 21.95 C +ATOM 1316 O ALA L 43 8.581 21.643 46.726 1.00 22.10 O +ATOM 1317 CB ALA L 43 8.099 23.866 44.435 1.00 22.85 C +ATOM 1318 N PRO L 44 8.813 20.733 44.684 1.00 21.77 N +ATOM 1319 CA PRO L 44 9.867 19.798 45.105 1.00 20.21 C +ATOM 1320 C PRO L 44 11.036 20.563 45.710 1.00 19.94 C +ATOM 1321 O PRO L 44 11.374 21.664 45.238 1.00 20.07 O +ATOM 1322 CB PRO L 44 10.299 19.146 43.796 1.00 21.42 C +ATOM 1323 CG PRO L 44 9.015 19.185 42.951 1.00 21.32 C +ATOM 1324 CD PRO L 44 8.420 20.515 43.282 1.00 22.25 C +ATOM 1325 N LYS L 45 11.652 19.992 46.734 1.00 16.46 N +ATOM 1326 CA LYS L 45 12.787 20.598 47.408 1.00 17.38 C +ATOM 1327 C LYS L 45 14.060 19.816 47.086 1.00 16.83 C +ATOM 1328 O LYS L 45 14.139 18.629 47.359 1.00 16.12 O +ATOM 1329 CB LYS L 45 12.542 20.566 48.917 1.00 17.80 C +ATOM 1330 CG LYS L 45 13.716 21.077 49.763 1.00 20.11 C +ATOM 1331 CD LYS L 45 13.273 21.104 51.225 1.00 26.90 C +ATOM 1332 CE LYS L 45 14.460 21.172 52.212 1.00 29.99 C +ATOM 1333 NZ LYS L 45 15.182 22.490 52.177 1.00 32.66 N +ATOM 1334 N LEU L 46 15.065 20.488 46.523 1.00 17.36 N +ATOM 1335 CA LEU L 46 16.329 19.818 46.208 1.00 17.05 C +ATOM 1336 C LEU L 46 17.074 19.452 47.497 1.00 16.48 C +ATOM 1337 O LEU L 46 17.266 20.316 48.373 1.00 17.65 O +ATOM 1338 CB LEU L 46 17.214 20.756 45.384 1.00 17.69 C +ATOM 1339 CG LEU L 46 18.583 20.177 45.023 1.00 18.63 C +ATOM 1340 CD1 LEU L 46 18.467 18.971 44.117 1.00 19.47 C +ATOM 1341 CD2 LEU L 46 19.367 21.278 44.301 1.00 20.34 C +ATOM 1342 N LEU L 47 17.489 18.193 47.629 1.00 15.33 N +ATOM 1343 CA LEU L 47 18.286 17.746 48.774 1.00 15.48 C +ATOM 1344 C LEU L 47 19.758 17.533 48.475 1.00 16.26 C +ATOM 1345 O LEU L 47 20.634 17.955 49.257 1.00 17.66 O +ATOM 1346 CB LEU L 47 17.725 16.416 49.324 1.00 14.47 C +ATOM 1347 CG LEU L 47 16.235 16.375 49.599 1.00 14.63 C +ATOM 1348 CD1 LEU L 47 15.863 14.921 49.973 1.00 14.92 C +ATOM 1349 CD2 LEU L 47 15.851 17.326 50.718 1.00 17.24 C +ATOM 1350 N ILE L 48 20.016 16.843 47.372 1.00 16.77 N +ATOM 1351 CA ILE L 48 21.348 16.374 46.978 1.00 17.14 C +ATOM 1352 C ILE L 48 21.500 16.704 45.504 1.00 18.05 C +ATOM 1353 O ILE L 48 20.633 16.341 44.671 1.00 16.39 O +ATOM 1354 CB ILE L 48 21.480 14.816 47.189 1.00 17.59 C +ATOM 1355 CG1 ILE L 48 21.231 14.373 48.670 1.00 18.21 C +ATOM 1356 CG2 ILE L 48 22.829 14.261 46.585 1.00 17.28 C +ATOM 1357 CD1 ILE L 48 22.347 14.670 49.660 1.00 20.46 C +ATOM 1358 N TYR L 49 22.606 17.372 45.150 1.00 18.43 N +ATOM 1359 CA TYR L 49 22.911 17.602 43.752 1.00 19.09 C +ATOM 1360 C TYR L 49 24.189 16.890 43.341 1.00 18.48 C +ATOM 1361 O TYR L 49 25.089 16.644 44.172 1.00 17.26 O +ATOM 1362 CB TYR L 49 22.974 19.092 43.377 1.00 20.46 C +ATOM 1363 CG TYR L 49 24.087 19.852 44.035 1.00 24.14 C +ATOM 1364 CD1 TYR L 49 23.915 20.378 45.315 1.00 27.60 C +ATOM 1365 CD2 TYR L 49 25.302 20.063 43.389 1.00 27.95 C +ATOM 1366 CE1 TYR L 49 24.925 21.097 45.954 1.00 29.04 C +ATOM 1367 CE2 TYR L 49 26.336 20.783 44.033 1.00 28.95 C +ATOM 1368 CZ TYR L 49 26.119 21.296 45.306 1.00 30.62 C +ATOM 1369 OH TYR L 49 27.099 21.993 45.967 1.00 32.48 O +ATOM 1370 N ALA L 50 24.227 16.533 42.062 1.00 17.61 N +ATOM 1371 CA ALA L 50 25.364 15.844 41.426 1.00 18.54 C +ATOM 1372 C ALA L 50 25.810 14.643 42.260 1.00 17.77 C +ATOM 1373 O ALA L 50 26.996 14.456 42.615 1.00 17.70 O +ATOM 1374 CB ALA L 50 26.519 16.825 41.136 1.00 19.81 C +ATOM 1375 N ALA L 51 24.791 13.853 42.599 1.00 17.09 N +ATOM 1376 CA ALA L 51 24.894 12.559 43.246 1.00 17.19 C +ATOM 1377 C ALA L 51 25.194 12.516 44.743 1.00 18.37 C +ATOM 1378 O ALA L 51 24.624 11.684 45.450 1.00 17.50 O +ATOM 1379 CB ALA L 51 25.839 11.589 42.452 1.00 16.87 C +ATOM 1380 N SER L 52 26.045 13.420 45.240 1.00 18.06 N +ATOM 1381 CA SER L 52 26.578 13.273 46.617 1.00 19.25 C +ATOM 1382 C SER L 52 26.710 14.587 47.371 1.00 19.68 C +ATOM 1383 O SER L 52 27.122 14.601 48.529 1.00 20.95 O +ATOM 1384 CB SER L 52 27.923 12.556 46.591 1.00 20.31 C +ATOM 1385 OG SER L 52 28.793 13.297 45.761 1.00 23.07 O +ATOM 1386 N ASN L 53 26.383 15.689 46.707 1.00 20.29 N +ATOM 1387 CA ASN L 53 26.533 17.016 47.303 1.00 21.46 C +ATOM 1388 C ASN L 53 25.300 17.469 48.069 1.00 20.87 C +ATOM 1389 O ASN L 53 24.249 17.716 47.470 1.00 21.86 O +ATOM 1390 CB ASN L 53 26.899 18.042 46.232 1.00 21.20 C +ATOM 1391 CG ASN L 53 28.255 17.757 45.613 1.00 24.81 C +ATOM 1392 OD1 ASN L 53 29.284 17.921 46.266 1.00 27.84 O +ATOM 1393 ND2 ASN L 53 28.256 17.260 44.396 1.00 26.72 N +ATOM 1394 N LEU L 54 25.450 17.615 49.386 1.00 21.41 N +ATOM 1395 CA LEU L 54 24.358 18.081 50.231 1.00 20.96 C +ATOM 1396 C LEU L 54 24.086 19.548 50.008 1.00 23.26 C +ATOM 1397 O LEU L 54 24.990 20.389 50.147 1.00 23.04 O +ATOM 1398 CB LEU L 54 24.630 17.801 51.717 1.00 21.21 C +ATOM 1399 CG LEU L 54 23.533 18.153 52.745 1.00 21.48 C +ATOM 1400 CD1 LEU L 54 22.306 17.272 52.619 1.00 22.78 C +ATOM 1401 CD2 LEU L 54 24.104 18.059 54.174 1.00 23.14 C +ATOM 1402 N GLN L 55 22.832 19.850 49.677 1.00 22.67 N +ATOM 1403 CA GLN L 55 22.377 21.224 49.472 1.00 25.64 C +ATOM 1404 C GLN L 55 22.438 22.092 50.717 1.00 25.41 C +ATOM 1405 O GLN L 55 22.067 21.672 51.826 1.00 25.89 O +ATOM 1406 CB GLN L 55 20.944 21.219 48.941 1.00 25.85 C +ATOM 1407 CG GLN L 55 20.893 21.367 47.485 1.00 31.55 C +ATOM 1408 CD GLN L 55 21.266 22.767 47.062 1.00 33.95 C +ATOM 1409 OE1 GLN L 55 20.635 23.740 47.470 1.00 38.64 O +ATOM 1410 NE2 GLN L 55 22.287 22.869 46.256 1.00 34.91 N +ATOM 1411 N GLY L 56 22.915 23.324 50.535 1.00 26.41 N +ATOM 1412 CA GLY L 56 22.910 24.283 51.615 1.00 27.21 C +ATOM 1413 C GLY L 56 21.574 24.349 52.342 1.00 26.44 C +ATOM 1414 O GLY L 56 20.511 24.510 51.722 1.00 27.26 O +ATOM 1415 N GLY L 57 21.621 24.187 53.656 1.00 26.05 N +ATOM 1416 CA GLY L 57 20.425 24.324 54.467 1.00 25.05 C +ATOM 1417 C GLY L 57 19.665 23.029 54.683 1.00 24.32 C +ATOM 1418 O GLY L 57 18.698 22.995 55.448 1.00 25.42 O +ATOM 1419 N VAL L 58 20.097 21.964 54.023 1.00 23.20 N +ATOM 1420 CA VAL L 58 19.440 20.670 54.192 1.00 21.73 C +ATOM 1421 C VAL L 58 20.166 19.837 55.266 1.00 21.08 C +ATOM 1422 O VAL L 58 21.408 19.814 55.322 1.00 22.39 O +ATOM 1423 CB VAL L 58 19.383 19.908 52.838 1.00 21.20 C +ATOM 1424 CG1 VAL L 58 18.794 18.519 53.037 1.00 20.23 C +ATOM 1425 CG2 VAL L 58 18.546 20.684 51.801 1.00 21.62 C +ATOM 1426 N THR L 59 19.392 19.146 56.102 1.00 20.82 N +ATOM 1427 CA THR L 59 19.961 18.323 57.172 1.00 20.16 C +ATOM 1428 C THR L 59 20.941 17.285 56.665 1.00 20.63 C +ATOM 1429 O THR L 59 20.696 16.657 55.650 1.00 19.66 O +ATOM 1430 CB THR L 59 18.867 17.653 58.031 1.00 20.94 C +ATOM 1431 OG1 THR L 59 19.500 16.722 58.915 1.00 22.24 O +ATOM 1432 CG2 THR L 59 17.924 16.770 57.206 1.00 20.06 C +ATOM 1433 N SER L 60 22.060 17.099 57.378 1.00 20.04 N +ATOM 1434 CA SER L 60 23.026 16.096 56.958 1.00 20.62 C +ATOM 1435 C SER L 60 22.544 14.668 57.215 1.00 19.76 C +ATOM 1436 O SER L 60 23.274 13.734 56.945 1.00 20.25 O +ATOM 1437 CB SER L 60 24.416 16.331 57.581 1.00 22.21 C +ATOM 1438 OG SER L 60 24.334 16.192 58.970 1.00 26.16 O +ATOM 1439 N ARG L 61 21.321 14.490 57.718 1.00 18.00 N +ATOM 1440 CA ARG L 61 20.770 13.136 57.799 1.00 17.02 C +ATOM 1441 C ARG L 61 20.554 12.558 56.390 1.00 16.83 C +ATOM 1442 O ARG L 61 20.453 11.343 56.237 1.00 14.83 O +ATOM 1443 CB ARG L 61 19.464 13.083 58.588 1.00 16.88 C +ATOM 1444 CG ARG L 61 19.550 13.462 60.090 1.00 17.10 C +ATOM 1445 CD ARG L 61 18.197 13.382 60.824 1.00 16.58 C +ATOM 1446 NE ARG L 61 17.178 14.306 60.317 1.00 17.17 N +ATOM 1447 CZ ARG L 61 16.195 13.944 59.464 1.00 14.82 C +ATOM 1448 NH1 ARG L 61 16.122 12.676 59.044 1.00 16.71 N +ATOM 1449 NH2 ARG L 61 15.293 14.837 59.046 1.00 17.48 N +ATOM 1450 N PHE L 62 20.443 13.430 55.380 1.00 15.66 N +ATOM 1451 CA PHE L 62 20.332 12.960 53.998 1.00 15.99 C +ATOM 1452 C PHE L 62 21.720 12.861 53.395 1.00 15.60 C +ATOM 1453 O PHE L 62 22.531 13.774 53.554 1.00 17.00 O +ATOM 1454 CB PHE L 62 19.491 13.943 53.127 1.00 15.44 C +ATOM 1455 CG PHE L 62 18.055 14.009 53.518 1.00 16.22 C +ATOM 1456 CD1 PHE L 62 17.564 15.101 54.208 1.00 18.98 C +ATOM 1457 CD2 PHE L 62 17.180 12.967 53.183 1.00 17.50 C +ATOM 1458 CE1 PHE L 62 16.220 15.146 54.616 1.00 19.86 C +ATOM 1459 CE2 PHE L 62 15.846 13.021 53.564 1.00 18.41 C +ATOM 1460 CZ PHE L 62 15.381 14.122 54.310 1.00 18.88 C +ATOM 1461 N SER L 63 21.989 11.767 52.688 1.00 15.26 N +ATOM 1462 CA SER L 63 23.230 11.668 51.925 1.00 15.99 C +ATOM 1463 C SER L 63 23.014 10.889 50.634 1.00 16.28 C +ATOM 1464 O SER L 63 22.229 9.942 50.579 1.00 16.12 O +ATOM 1465 CB SER L 63 24.351 11.044 52.761 1.00 16.52 C +ATOM 1466 OG SER L 63 24.024 9.765 53.204 1.00 20.77 O +ATOM 1467 N GLY L 64 23.759 11.272 49.608 1.00 16.88 N +ATOM 1468 CA GLY L 64 23.669 10.612 48.314 1.00 17.62 C +ATOM 1469 C GLY L 64 24.978 9.952 47.951 1.00 18.26 C +ATOM 1470 O GLY L 64 26.053 10.455 48.314 1.00 19.40 O +ATOM 1471 N SER L 65 24.883 8.828 47.259 1.00 18.20 N +ATOM 1472 CA SER L 65 26.073 8.116 46.806 1.00 19.44 C +ATOM 1473 C SER L 65 25.812 7.436 45.480 1.00 20.49 C +ATOM 1474 O SER L 65 24.668 7.347 45.017 1.00 18.23 O +ATOM 1475 CB SER L 65 26.520 7.065 47.841 1.00 19.27 C +ATOM 1476 OG SER L 65 25.480 6.130 48.140 1.00 23.08 O +ATOM 1477 N GLY L 66 26.890 6.948 44.861 1.00 21.33 N +ATOM 1478 CA GLY L 66 26.764 6.292 43.578 1.00 22.93 C +ATOM 1479 C GLY L 66 27.234 7.140 42.412 1.00 23.57 C +ATOM 1480 O GLY L 66 27.453 8.339 42.532 1.00 24.38 O +ATOM 1481 N SER L 67 27.401 6.482 41.264 1.00 24.52 N +ATOM 1482 CA SER L 67 27.725 7.139 40.013 1.00 25.30 C +ATOM 1483 C SER L 67 27.381 6.186 38.879 1.00 24.60 C +ATOM 1484 O SER L 67 27.128 4.990 39.119 1.00 24.49 O +ATOM 1485 CB SER L 67 29.212 7.517 39.951 1.00 26.81 C +ATOM 1486 OG SER L 67 29.953 6.327 39.912 1.00 30.57 O +ATOM 1487 N GLY L 68 27.330 6.717 37.658 1.00 22.20 N +ATOM 1488 CA GLY L 68 27.179 5.872 36.491 1.00 21.27 C +ATOM 1489 C GLY L 68 25.732 5.486 36.293 1.00 20.12 C +ATOM 1490 O GLY L 68 24.979 6.234 35.650 1.00 18.95 O +ATOM 1491 N THR L 69 25.309 4.334 36.835 1.00 19.96 N +ATOM 1492 CA THR L 69 23.905 3.918 36.676 1.00 19.17 C +ATOM 1493 C THR L 69 23.228 3.561 37.984 1.00 18.86 C +ATOM 1494 O THR L 69 22.079 3.156 37.953 1.00 20.09 O +ATOM 1495 CB THR L 69 23.703 2.662 35.764 1.00 19.40 C +ATOM 1496 OG1 THR L 69 24.409 1.546 36.325 1.00 21.10 O +ATOM 1497 CG2 THR L 69 24.339 2.870 34.374 1.00 21.20 C +ATOM 1498 N ASP L 70 23.967 3.595 39.081 1.00 17.69 N +ATOM 1499 CA ASP L 70 23.463 3.064 40.347 1.00 18.03 C +ATOM 1500 C ASP L 70 23.649 4.116 41.431 1.00 16.00 C +ATOM 1501 O ASP L 70 24.789 4.467 41.833 1.00 17.45 O +ATOM 1502 CB ASP L 70 24.297 1.795 40.640 1.00 18.47 C +ATOM 1503 CG ASP L 70 23.813 0.986 41.852 1.00 24.53 C +ATOM 1504 OD1 ASP L 70 22.915 1.419 42.590 1.00 23.14 O +ATOM 1505 OD2 ASP L 70 24.338 -0.136 42.131 1.00 30.67 O +ATOM 1506 N PHE L 71 22.531 4.640 41.938 1.00 13.60 N +ATOM 1507 CA PHE L 71 22.592 5.730 42.899 1.00 13.30 C +ATOM 1508 C PHE L 71 21.739 5.408 44.122 1.00 13.04 C +ATOM 1509 O PHE L 71 20.732 4.772 43.997 1.00 13.42 O +ATOM 1510 CB PHE L 71 22.055 7.013 42.273 1.00 12.17 C +ATOM 1511 CG PHE L 71 22.794 7.407 41.043 1.00 12.45 C +ATOM 1512 CD1 PHE L 71 22.487 6.821 39.814 1.00 12.01 C +ATOM 1513 CD2 PHE L 71 23.790 8.370 41.130 1.00 13.72 C +ATOM 1514 CE1 PHE L 71 23.204 7.193 38.664 1.00 12.99 C +ATOM 1515 CE2 PHE L 71 24.535 8.745 39.967 1.00 16.23 C +ATOM 1516 CZ PHE L 71 24.215 8.142 38.739 1.00 14.02 C +ATOM 1517 N THR L 72 22.196 5.856 45.278 1.00 13.22 N +ATOM 1518 CA THR L 72 21.464 5.633 46.522 1.00 14.08 C +ATOM 1519 C THR L 72 21.249 6.916 47.297 1.00 13.36 C +ATOM 1520 O THR L 72 22.174 7.730 47.459 1.00 13.81 O +ATOM 1521 CB THR L 72 22.276 4.639 47.395 1.00 13.65 C +ATOM 1522 OG1 THR L 72 22.335 3.383 46.707 1.00 16.07 O +ATOM 1523 CG2 THR L 72 21.466 4.330 48.703 1.00 14.21 C +ATOM 1524 N LEU L 73 20.044 7.079 47.846 1.00 12.61 N +ATOM 1525 CA LEU L 73 19.775 8.146 48.805 1.00 12.60 C +ATOM 1526 C LEU L 73 19.588 7.499 50.137 1.00 12.90 C +ATOM 1527 O LEU L 73 18.810 6.547 50.256 1.00 12.94 O +ATOM 1528 CB LEU L 73 18.503 8.886 48.425 1.00 12.46 C +ATOM 1529 CG LEU L 73 17.956 9.870 49.475 1.00 12.60 C +ATOM 1530 CD1 LEU L 73 18.868 11.068 49.672 1.00 14.13 C +ATOM 1531 CD2 LEU L 73 16.542 10.334 49.015 1.00 15.88 C +ATOM 1532 N THR L 74 20.333 7.959 51.152 1.00 12.79 N +ATOM 1533 CA THR L 74 20.205 7.374 52.494 1.00 12.91 C +ATOM 1534 C THR L 74 19.689 8.425 53.468 1.00 13.69 C +ATOM 1535 O THR L 74 20.196 9.541 53.502 1.00 14.57 O +ATOM 1536 CB THR L 74 21.571 6.861 52.989 1.00 14.96 C +ATOM 1537 OG1 THR L 74 22.076 5.866 52.076 1.00 14.04 O +ATOM 1538 CG2 THR L 74 21.426 6.141 54.404 1.00 15.42 C +ATOM 1539 N ILE L 75 18.683 8.067 54.275 1.00 13.18 N +ATOM 1540 CA ILE L 75 18.278 8.933 55.367 1.00 14.95 C +ATOM 1541 C ILE L 75 18.791 8.262 56.635 1.00 15.17 C +ATOM 1542 O ILE L 75 18.352 7.144 56.936 1.00 15.63 O +ATOM 1543 CB ILE L 75 16.764 9.083 55.448 1.00 15.23 C +ATOM 1544 CG1 ILE L 75 16.167 9.535 54.104 1.00 15.39 C +ATOM 1545 CG2 ILE L 75 16.383 10.094 56.573 1.00 17.87 C +ATOM 1546 CD1 ILE L 75 14.622 9.652 54.123 1.00 17.92 C +ATOM 1547 N SER L 76 19.655 8.937 57.377 1.00 16.47 N +ATOM 1548 CA SER L 76 20.395 8.211 58.439 1.00 18.57 C +ATOM 1549 C SER L 76 19.526 7.760 59.593 1.00 19.83 C +ATOM 1550 O SER L 76 19.654 6.610 60.113 1.00 21.59 O +ATOM 1551 CB SER L 76 21.599 8.991 58.959 1.00 19.21 C +ATOM 1552 OG SER L 76 21.156 10.198 59.561 1.00 22.31 O +ATOM 1553 N THR L 77 18.670 8.672 60.024 1.00 19.01 N +ATOM 1554 CA THR L 77 17.787 8.426 61.145 1.00 20.09 C +ATOM 1555 C THR L 77 16.497 9.141 60.800 1.00 18.74 C +ATOM 1556 O THR L 77 16.468 10.374 60.793 1.00 20.53 O +ATOM 1557 CB THR L 77 18.343 9.105 62.415 1.00 21.30 C +ATOM 1558 OG1 THR L 77 19.667 8.629 62.715 1.00 28.09 O +ATOM 1559 CG2 THR L 77 17.503 8.654 63.590 1.00 25.00 C +ATOM 1560 N LEU L 78 15.456 8.388 60.484 1.00 15.71 N +ATOM 1561 CA LEU L 78 14.211 8.944 59.966 1.00 14.71 C +ATOM 1562 C LEU L 78 13.518 9.806 61.025 1.00 14.66 C +ATOM 1563 O LEU L 78 13.450 9.417 62.191 1.00 15.04 O +ATOM 1564 CB LEU L 78 13.281 7.787 59.542 1.00 15.50 C +ATOM 1565 CG LEU L 78 11.969 8.097 58.827 1.00 17.36 C +ATOM 1566 CD1 LEU L 78 12.180 8.765 57.493 1.00 15.92 C +ATOM 1567 CD2 LEU L 78 11.195 6.787 58.636 1.00 16.31 C +ATOM 1568 N GLN L 79 13.024 10.957 60.614 1.00 14.20 N +ATOM 1569 CA GLN L 79 12.299 11.847 61.546 1.00 15.61 C +ATOM 1570 C GLN L 79 10.894 12.073 61.035 1.00 15.55 C +ATOM 1571 O GLN L 79 10.636 11.927 59.846 1.00 15.60 O +ATOM 1572 CB GLN L 79 13.029 13.190 61.634 1.00 16.11 C +ATOM 1573 CG GLN L 79 14.398 13.087 62.299 1.00 19.61 C +ATOM 1574 CD GLN L 79 14.276 12.868 63.788 1.00 27.19 C +ATOM 1575 OE1 GLN L 79 13.895 13.786 64.517 1.00 29.71 O +ATOM 1576 NE2 GLN L 79 14.576 11.671 64.239 1.00 27.83 N +ATOM 1577 N PRO L 80 9.947 12.469 61.886 1.00 15.79 N +ATOM 1578 CA PRO L 80 8.566 12.654 61.425 1.00 14.97 C +ATOM 1579 C PRO L 80 8.431 13.620 60.227 1.00 15.11 C +ATOM 1580 O PRO L 80 7.593 13.360 59.327 1.00 16.20 O +ATOM 1581 CB PRO L 80 7.861 13.241 62.681 1.00 16.74 C +ATOM 1582 CG PRO L 80 8.726 12.782 63.849 1.00 15.64 C +ATOM 1583 CD PRO L 80 10.128 12.766 63.334 1.00 16.93 C +ATOM 1584 N GLU L 81 9.226 14.685 60.191 1.00 15.26 N +ATOM 1585 CA GLU L 81 9.156 15.686 59.126 1.00 16.64 C +ATOM 1586 C GLU L 81 9.706 15.165 57.780 1.00 16.73 C +ATOM 1587 O GLU L 81 9.663 15.893 56.763 1.00 18.17 O +ATOM 1588 CB GLU L 81 9.889 16.963 59.526 1.00 17.17 C +ATOM 1589 CG GLU L 81 11.365 16.790 59.785 1.00 18.71 C +ATOM 1590 CD GLU L 81 11.718 16.520 61.228 1.00 15.70 C +ATOM 1591 OE1 GLU L 81 10.929 15.892 61.970 1.00 20.01 O +ATOM 1592 OE2 GLU L 81 12.813 16.958 61.604 1.00 21.48 O +ATOM 1593 N ASP L 82 10.178 13.913 57.781 1.00 15.06 N +ATOM 1594 CA ASP L 82 10.659 13.271 56.532 1.00 14.79 C +ATOM 1595 C ASP L 82 9.493 12.654 55.756 1.00 15.35 C +ATOM 1596 O ASP L 82 9.703 12.150 54.659 1.00 15.49 O +ATOM 1597 CB ASP L 82 11.699 12.187 56.813 1.00 14.83 C +ATOM 1598 CG ASP L 82 12.973 12.734 57.466 1.00 13.17 C +ATOM 1599 OD1 ASP L 82 13.247 13.948 57.356 1.00 16.83 O +ATOM 1600 OD2 ASP L 82 13.742 11.957 58.090 1.00 13.55 O +ATOM 1601 N PHE L 83 8.280 12.633 56.346 1.00 15.14 N +ATOM 1602 CA PHE L 83 7.063 12.134 55.674 1.00 15.76 C +ATOM 1603 C PHE L 83 6.882 12.883 54.357 1.00 15.63 C +ATOM 1604 O PHE L 83 6.586 14.083 54.349 1.00 16.11 O +ATOM 1605 CB PHE L 83 5.806 12.357 56.575 1.00 16.49 C +ATOM 1606 CG PHE L 83 4.509 12.023 55.894 1.00 18.90 C +ATOM 1607 CD1 PHE L 83 3.617 12.999 55.519 1.00 20.59 C +ATOM 1608 CD2 PHE L 83 4.182 10.705 55.623 1.00 27.11 C +ATOM 1609 CE1 PHE L 83 2.413 12.680 54.866 1.00 26.41 C +ATOM 1610 CE2 PHE L 83 2.977 10.382 54.969 1.00 29.39 C +ATOM 1611 CZ PHE L 83 2.115 11.369 54.586 1.00 28.88 C +ATOM 1612 N ALA L 84 7.090 12.187 53.242 1.00 13.32 N +ATOM 1613 CA ALA L 84 7.187 12.855 51.940 1.00 13.11 C +ATOM 1614 C ALA L 84 7.432 11.788 50.903 1.00 12.44 C +ATOM 1615 O ALA L 84 7.614 10.599 51.227 1.00 12.04 O +ATOM 1616 CB ALA L 84 8.347 13.845 51.917 1.00 15.03 C +ATOM 1617 N THR L 85 7.441 12.218 49.652 1.00 11.71 N +ATOM 1618 CA THR L 85 7.783 11.304 48.568 1.00 10.99 C +ATOM 1619 C THR L 85 9.095 11.830 48.001 1.00 11.85 C +ATOM 1620 O THR L 85 9.225 13.051 47.745 1.00 12.83 O +ATOM 1621 CB THR L 85 6.680 11.335 47.457 1.00 10.93 C +ATOM 1622 OG1 THR L 85 5.391 10.916 47.984 1.00 14.43 O +ATOM 1623 CG2 THR L 85 7.045 10.305 46.338 1.00 11.81 C +ATOM 1624 N TYR L 86 10.069 10.920 47.839 1.00 9.61 N +ATOM 1625 CA TYR L 86 11.427 11.303 47.395 1.00 10.52 C +ATOM 1626 C TYR L 86 11.584 10.894 45.983 1.00 10.38 C +ATOM 1627 O TYR L 86 10.989 9.913 45.548 1.00 11.73 O +ATOM 1628 CB TYR L 86 12.505 10.616 48.289 1.00 8.72 C +ATOM 1629 CG TYR L 86 12.391 11.160 49.691 1.00 6.80 C +ATOM 1630 CD1 TYR L 86 11.426 10.613 50.588 1.00 9.58 C +ATOM 1631 CD2 TYR L 86 13.157 12.223 50.099 1.00 9.82 C +ATOM 1632 CE1 TYR L 86 11.261 11.140 51.851 1.00 10.73 C +ATOM 1633 CE2 TYR L 86 12.998 12.791 51.344 1.00 9.67 C +ATOM 1634 CZ TYR L 86 12.054 12.237 52.216 1.00 10.74 C +ATOM 1635 OH TYR L 86 11.913 12.836 53.464 1.00 13.03 O +ATOM 1636 N TYR L 87 12.348 11.697 45.216 1.00 11.46 N +ATOM 1637 CA TYR L 87 12.561 11.427 43.777 1.00 11.62 C +ATOM 1638 C TYR L 87 13.988 11.638 43.410 1.00 10.71 C +ATOM 1639 O TYR L 87 14.612 12.602 43.893 1.00 12.64 O +ATOM 1640 CB TYR L 87 11.764 12.439 42.904 1.00 10.08 C +ATOM 1641 CG TYR L 87 10.267 12.308 43.049 1.00 10.33 C +ATOM 1642 CD1 TYR L 87 9.551 11.475 42.187 1.00 13.34 C +ATOM 1643 CD2 TYR L 87 9.576 13.023 44.023 1.00 13.70 C +ATOM 1644 CE1 TYR L 87 8.182 11.318 42.304 1.00 14.03 C +ATOM 1645 CE2 TYR L 87 8.186 12.868 44.161 1.00 14.77 C +ATOM 1646 CZ TYR L 87 7.503 12.038 43.256 1.00 12.96 C +ATOM 1647 OH TYR L 87 6.118 11.915 43.334 1.00 17.83 O +ATOM 1648 N CYS L 88 14.504 10.774 42.543 1.00 10.58 N +ATOM 1649 CA CYS L 88 15.725 11.120 41.822 1.00 10.91 C +ATOM 1650 C CYS L 88 15.332 11.826 40.510 1.00 11.28 C +ATOM 1651 O CYS L 88 14.236 11.624 39.970 1.00 11.90 O +ATOM 1652 CB CYS L 88 16.595 9.909 41.565 1.00 10.46 C +ATOM 1653 SG CYS L 88 15.830 8.699 40.454 1.00 12.73 S +ATOM 1654 N LEU L 89 16.247 12.652 40.011 1.00 11.50 N +ATOM 1655 CA LEU L 89 16.062 13.359 38.745 1.00 12.63 C +ATOM 1656 C LEU L 89 17.395 13.301 37.995 1.00 11.47 C +ATOM 1657 O LEU L 89 18.412 13.742 38.539 1.00 13.16 O +ATOM 1658 CB LEU L 89 15.757 14.838 39.027 1.00 12.45 C +ATOM 1659 CG LEU L 89 15.699 15.729 37.759 1.00 13.26 C +ATOM 1660 CD1 LEU L 89 14.525 15.376 36.790 1.00 12.53 C +ATOM 1661 CD2 LEU L 89 15.730 17.196 38.167 1.00 15.26 C +ATOM 1662 N GLN L 90 17.397 12.738 36.790 1.00 10.65 N +ATOM 1663 CA GLN L 90 18.665 12.780 35.982 1.00 11.89 C +ATOM 1664 C GLN L 90 18.694 14.084 35.215 1.00 13.29 C +ATOM 1665 O GLN L 90 17.678 14.504 34.668 1.00 13.01 O +ATOM 1666 CB GLN L 90 18.841 11.578 35.057 1.00 11.87 C +ATOM 1667 CG GLN L 90 17.861 11.427 33.867 1.00 11.78 C +ATOM 1668 CD GLN L 90 18.253 12.329 32.648 1.00 12.10 C +ATOM 1669 OE1 GLN L 90 19.391 12.743 32.522 1.00 12.88 O +ATOM 1670 NE2 GLN L 90 17.281 12.612 31.807 1.00 12.93 N +ATOM 1671 N THR L 91 19.875 14.685 35.141 1.00 14.88 N +ATOM 1672 CA THR L 91 20.046 15.899 34.310 1.00 15.99 C +ATOM 1673 C THR L 91 21.203 15.671 33.335 1.00 16.69 C +ATOM 1674 O THR L 91 21.847 16.631 32.870 1.00 17.57 O +ATOM 1675 CB THR L 91 20.314 17.160 35.127 1.00 16.71 C +ATOM 1676 OG1 THR L 91 21.486 16.970 35.950 1.00 18.65 O +ATOM 1677 CG2 THR L 91 19.151 17.452 36.095 1.00 18.95 C +ATOM 1678 N HIS L 92 21.463 14.413 33.026 1.00 15.25 N +ATOM 1679 CA HIS L 92 22.489 14.110 32.021 1.00 15.55 C +ATOM 1680 C HIS L 92 22.027 14.623 30.644 1.00 15.81 C +ATOM 1681 O HIS L 92 22.825 15.195 29.887 1.00 16.83 O +ATOM 1682 CB HIS L 92 22.726 12.597 31.967 1.00 15.79 C +ATOM 1683 CG HIS L 92 23.652 12.158 30.871 1.00 18.25 C +ATOM 1684 ND1 HIS L 92 25.023 12.130 31.005 1.00 22.29 N +ATOM 1685 CD2 HIS L 92 23.384 11.684 29.629 1.00 19.85 C +ATOM 1686 CE1 HIS L 92 25.565 11.698 29.875 1.00 19.37 C +ATOM 1687 NE2 HIS L 92 24.593 11.414 29.028 1.00 20.55 N +ATOM 1688 N ALA L 93 20.745 14.475 30.351 1.00 15.51 N +ATOM 1689 CA ALA L 93 20.214 14.840 29.037 1.00 16.07 C +ATOM 1690 C ALA L 93 18.738 15.210 29.059 1.00 17.23 C +ATOM 1691 O ALA L 93 17.978 14.766 29.903 1.00 16.74 O +ATOM 1692 CB ALA L 93 20.493 13.743 28.012 1.00 16.42 C +ATOM 1693 N TYR L 94 18.314 16.050 28.118 1.00 16.03 N +ATOM 1694 CA TYR L 94 16.886 16.261 27.900 1.00 16.64 C +ATOM 1695 C TYR L 94 16.342 15.134 27.002 1.00 16.52 C +ATOM 1696 O TYR L 94 17.101 14.623 26.132 1.00 16.98 O +ATOM 1697 CB TYR L 94 16.662 17.603 27.188 1.00 16.67 C +ATOM 1698 CG TYR L 94 17.013 18.872 27.944 1.00 15.49 C +ATOM 1699 CD1 TYR L 94 16.871 20.118 27.307 1.00 18.80 C +ATOM 1700 CD2 TYR L 94 17.423 18.863 29.285 1.00 16.54 C +ATOM 1701 CE1 TYR L 94 17.161 21.299 27.970 1.00 20.53 C +ATOM 1702 CE2 TYR L 94 17.703 20.039 29.969 1.00 19.29 C +ATOM 1703 CZ TYR L 94 17.606 21.255 29.291 1.00 21.86 C +ATOM 1704 OH TYR L 94 17.865 22.427 29.958 1.00 25.07 O +ATOM 1705 N PRO L 95 15.083 14.712 27.203 1.00 16.25 N +ATOM 1706 CA PRO L 95 14.196 15.237 28.268 1.00 15.77 C +ATOM 1707 C PRO L 95 14.681 14.805 29.659 1.00 14.88 C +ATOM 1708 O PRO L 95 15.103 13.670 29.824 1.00 14.59 O +ATOM 1709 CB PRO L 95 12.830 14.596 27.946 1.00 17.08 C +ATOM 1710 CG PRO L 95 13.147 13.397 27.175 1.00 19.26 C +ATOM 1711 CD PRO L 95 14.371 13.706 26.383 1.00 16.88 C +ATOM 1712 N LEU L 96 14.588 15.704 30.620 1.00 14.45 N +ATOM 1713 CA LEU L 96 14.869 15.361 32.014 1.00 14.12 C +ATOM 1714 C LEU L 96 13.864 14.281 32.467 1.00 14.19 C +ATOM 1715 O LEU L 96 12.770 14.183 31.956 1.00 14.36 O +ATOM 1716 CB LEU L 96 14.715 16.591 32.906 1.00 13.88 C +ATOM 1717 CG LEU L 96 15.634 17.745 32.479 1.00 13.52 C +ATOM 1718 CD1 LEU L 96 15.439 18.904 33.450 1.00 14.93 C +ATOM 1719 CD2 LEU L 96 17.113 17.312 32.472 1.00 14.72 C +ATOM 1720 N THR L 97 14.282 13.445 33.407 1.00 14.98 N +ATOM 1721 CA THR L 97 13.396 12.341 33.823 1.00 14.97 C +ATOM 1722 C THR L 97 13.539 12.114 35.312 1.00 14.78 C +ATOM 1723 O THR L 97 14.650 12.065 35.861 1.00 13.61 O +ATOM 1724 CB THR L 97 13.630 11.009 33.058 1.00 17.94 C +ATOM 1725 OG1 THR L 97 14.998 10.771 32.880 1.00 21.88 O +ATOM 1726 CG2 THR L 97 13.193 11.097 31.554 1.00 19.52 C +ATOM 1727 N PHE L 98 12.386 12.051 35.944 1.00 12.22 N +ATOM 1728 CA PHE L 98 12.293 11.645 37.340 1.00 12.50 C +ATOM 1729 C PHE L 98 12.169 10.144 37.469 1.00 11.62 C +ATOM 1730 O PHE L 98 11.544 9.448 36.664 1.00 12.16 O +ATOM 1731 CB PHE L 98 11.049 12.242 38.011 1.00 10.58 C +ATOM 1732 CG PHE L 98 11.108 13.730 38.220 1.00 12.94 C +ATOM 1733 CD1 PHE L 98 10.493 14.607 37.288 1.00 14.48 C +ATOM 1734 CD2 PHE L 98 11.788 14.249 39.297 1.00 15.27 C +ATOM 1735 CE1 PHE L 98 10.537 15.996 37.511 1.00 17.08 C +ATOM 1736 CE2 PHE L 98 11.826 15.632 39.537 1.00 17.74 C +ATOM 1737 CZ PHE L 98 11.216 16.508 38.619 1.00 17.05 C +ATOM 1738 N GLY L 99 12.732 9.620 38.552 1.00 11.10 N +ATOM 1739 CA GLY L 99 12.333 8.294 38.970 1.00 12.71 C +ATOM 1740 C GLY L 99 10.864 8.287 39.414 1.00 12.29 C +ATOM 1741 O GLY L 99 10.218 9.343 39.601 1.00 11.85 O +ATOM 1742 N GLY L 100 10.332 7.080 39.626 1.00 12.02 N +ATOM 1743 CA GLY L 100 8.911 6.912 39.903 1.00 12.10 C +ATOM 1744 C GLY L 100 8.517 7.323 41.322 1.00 13.07 C +ATOM 1745 O GLY L 100 7.322 7.334 41.661 1.00 13.92 O +ATOM 1746 N GLY L 101 9.521 7.659 42.142 1.00 11.17 N +ATOM 1747 CA GLY L 101 9.273 8.181 43.476 1.00 12.10 C +ATOM 1748 C GLY L 101 9.331 7.085 44.528 1.00 11.20 C +ATOM 1749 O GLY L 101 9.159 5.926 44.198 1.00 11.29 O +ATOM 1750 N THR L 102 9.595 7.490 45.781 1.00 10.57 N +ATOM 1751 CA THR L 102 9.430 6.590 46.943 1.00 10.41 C +ATOM 1752 C THR L 102 8.549 7.302 47.957 1.00 10.88 C +ATOM 1753 O THR L 102 8.961 8.286 48.561 1.00 10.85 O +ATOM 1754 CB THR L 102 10.780 6.293 47.621 1.00 10.40 C +ATOM 1755 OG1 THR L 102 11.731 5.668 46.722 1.00 10.78 O +ATOM 1756 CG2 THR L 102 10.533 5.309 48.758 1.00 9.72 C +ATOM 1757 N LYS L 103 7.347 6.771 48.187 1.00 10.37 N +ATOM 1758 CA LYS L 103 6.434 7.374 49.180 1.00 11.67 C +ATOM 1759 C LYS L 103 6.841 6.800 50.525 1.00 11.78 C +ATOM 1760 O LYS L 103 6.758 5.591 50.712 1.00 13.87 O +ATOM 1761 CB LYS L 103 5.012 6.921 48.913 1.00 12.12 C +ATOM 1762 CG LYS L 103 4.481 7.492 47.601 1.00 16.37 C +ATOM 1763 CD LYS L 103 3.031 7.082 47.486 1.00 23.53 C +ATOM 1764 CE LYS L 103 2.868 5.838 46.640 1.00 28.73 C +ATOM 1765 NZ LYS L 103 1.628 6.036 45.795 1.00 32.55 N +ATOM 1766 N VAL L 104 7.346 7.651 51.396 1.00 11.28 N +ATOM 1767 CA VAL L 104 7.807 7.206 52.719 1.00 12.63 C +ATOM 1768 C VAL L 104 6.719 7.496 53.736 1.00 12.73 C +ATOM 1769 O VAL L 104 6.407 8.660 53.972 1.00 13.58 O +ATOM 1770 CB VAL L 104 9.097 7.911 53.130 1.00 12.48 C +ATOM 1771 CG1 VAL L 104 9.472 7.525 54.560 1.00 12.93 C +ATOM 1772 CG2 VAL L 104 10.273 7.511 52.210 1.00 13.43 C +ATOM 1773 N ASP L 105 6.142 6.438 54.286 1.00 13.19 N +ATOM 1774 CA ASP L 105 5.077 6.503 55.307 1.00 14.92 C +ATOM 1775 C ASP L 105 5.756 6.341 56.656 1.00 14.56 C +ATOM 1776 O ASP L 105 6.664 5.548 56.781 1.00 14.29 O +ATOM 1777 CB ASP L 105 4.095 5.340 55.083 1.00 16.58 C +ATOM 1778 CG ASP L 105 3.145 5.170 56.209 1.00 21.45 C +ATOM 1779 OD1 ASP L 105 2.545 6.209 56.586 1.00 27.19 O +ATOM 1780 OD2 ASP L 105 3.011 4.071 56.812 1.00 27.20 O +ATOM 1781 N ILE L 106 5.293 7.072 57.674 1.00 15.37 N +ATOM 1782 CA ILE L 106 5.889 6.954 59.006 1.00 17.60 C +ATOM 1783 C ILE L 106 4.906 6.256 59.942 1.00 18.46 C +ATOM 1784 O ILE L 106 3.761 6.714 60.144 1.00 17.53 O +ATOM 1785 CB ILE L 106 6.346 8.325 59.532 1.00 18.91 C +ATOM 1786 CG1 ILE L 106 7.475 8.809 58.583 1.00 22.60 C +ATOM 1787 CG2 ILE L 106 6.781 8.230 61.078 1.00 20.12 C +ATOM 1788 CD1 ILE L 106 8.324 9.893 59.030 1.00 26.90 C +ATOM 1789 N LYS L 107 5.356 5.122 60.473 1.00 20.62 N +ATOM 1790 CA LYS L 107 4.541 4.253 61.317 1.00 26.26 C +ATOM 1791 C LYS L 107 4.973 4.416 62.757 1.00 28.47 C +ATOM 1792 O LYS L 107 6.150 4.630 63.051 1.00 28.13 O +ATOM 1793 CB LYS L 107 4.751 2.788 60.917 1.00 27.23 C +ATOM 1794 CG LYS L 107 3.495 2.042 60.507 1.00 31.82 C +ATOM 1795 CD LYS L 107 3.769 0.534 60.491 1.00 35.10 C +ATOM 1796 CE LYS L 107 2.694 -0.283 61.218 1.00 38.94 C +ATOM 1797 NZ LYS L 107 3.165 -0.733 62.578 1.00 39.86 N +ATOM 1798 N ARG L 108 4.022 4.316 63.671 1.00 32.81 N +ATOM 1799 CA ARG L 108 4.380 4.314 65.080 1.00 36.85 C +ATOM 1800 C ARG L 108 5.146 3.055 65.491 1.00 38.95 C +ATOM 1801 O ARG L 108 4.764 1.926 65.158 1.00 39.84 O +ATOM 1802 CB ARG L 108 3.127 4.501 65.945 1.00 37.36 C +ATOM 1803 CG ARG L 108 2.805 5.976 66.226 1.00 38.01 C +ATOM 1804 CD ARG L 108 3.983 6.759 66.826 1.00 36.64 C +ATOM 1805 NE ARG L 108 4.124 8.114 66.292 1.00 36.27 N +ATOM 1806 CZ ARG L 108 3.385 9.151 66.680 1.00 33.77 C +ATOM 1807 NH1 ARG L 108 3.591 10.351 66.150 1.00 31.91 N +ATOM 1808 NH2 ARG L 108 2.433 8.983 67.608 1.00 33.33 N +ATOM 1809 N ALA L 109 6.251 3.252 66.201 1.00 42.13 N +ATOM 1810 CA ALA L 109 6.786 2.183 67.030 1.00 44.30 C +ATOM 1811 C ALA L 109 5.785 2.068 68.181 1.00 45.88 C +ATOM 1812 O ALA L 109 5.253 0.983 68.442 1.00 46.43 O +ATOM 1813 CB ALA L 109 8.168 2.527 67.535 1.00 44.43 C +ATOM 1814 N ALA L 110 5.496 3.220 68.806 1.00 47.63 N +ATOM 1815 CA ALA L 110 4.493 3.368 69.866 1.00 48.81 C +ATOM 1816 C ALA L 110 3.047 3.122 69.375 1.00 49.53 C +ATOM 1817 O ALA L 110 2.710 2.031 68.904 1.00 50.01 O +ATOM 1818 CB ALA L 110 4.621 4.760 70.518 1.00 49.00 C +HETATM 1819 O HOH L 111 9.256 4.215 42.079 1.00 12.67 O +HETATM 1820 O HOH L 112 9.572 12.257 34.571 1.00 17.35 O +HETATM 1821 O HOH L 113 23.000 16.018 27.299 1.00 14.90 O +HETATM 1822 O HOH L 114 16.071 2.187 34.322 1.00 17.68 O +HETATM 1823 O HOH L 115 14.914 1.579 53.749 1.00 17.11 O +HETATM 1824 O HOH L 116 10.875 4.401 38.748 1.00 14.59 O +HETATM 1825 O HOH L 117 12.756 16.397 56.199 1.00 18.38 O +HETATM 1826 O HOH L 118 9.774 19.623 51.188 1.00 20.07 O +HETATM 1827 O HOH L 119 7.555 6.438 64.175 1.00 20.01 O +HETATM 1828 O HOH L 120 7.939 -0.698 42.657 1.00 19.23 O +HETATM 1829 O HOH L 121 10.578 0.084 41.648 1.00 18.27 O +HETATM 1830 O HOH L 122 12.052 7.469 34.493 1.00 21.20 O +HETATM 1831 O HOH L 123 4.214 4.582 51.726 1.00 15.70 O +HETATM 1832 O HOH L 124 23.102 9.651 44.548 1.00 13.88 O +HETATM 1833 O HOH L 125 25.864 13.138 50.362 1.00 20.30 O +HETATM 1834 O HOH L 126 16.253 11.614 28.531 1.00 19.97 O +HETATM 1835 O HOH L 127 22.644 9.560 55.459 1.00 18.39 O +HETATM 1836 O HOH L 128 5.057 13.566 44.986 1.00 20.25 O +HETATM 1837 O HOH L 129 24.118 3.277 44.830 1.00 23.40 O +HETATM 1838 O HOH L 130 17.471 -1.001 42.562 1.00 19.41 O +HETATM 1839 O HOH L 131 19.215 0.792 55.005 1.00 21.07 O +HETATM 1840 O HOH L 132 23.555 6.925 50.105 1.00 18.71 O +HETATM 1841 O HOH L 133 13.618 -1.994 47.064 1.00 20.85 O +HETATM 1842 O HOH L 134 16.644 0.488 48.301 1.00 21.63 O +HETATM 1843 O HOH L 135 3.895 2.082 52.931 1.00 20.93 O +HETATM 1844 O HOH L 136 22.031 3.091 52.640 1.00 18.94 O +HETATM 1845 O HOH L 137 14.274 0.545 51.469 0.50 14.46 O +HETATM 1846 O HOH L 138 8.296 19.610 48.767 1.00 18.85 O +HETATM 1847 O HOH L 139 16.447 19.539 55.871 1.00 25.02 O +HETATM 1848 O HOH L 140 4.250 14.488 52.301 1.00 26.17 O +HETATM 1849 O HOH L 141 5.334 16.144 55.328 1.00 24.45 O +HETATM 1850 O HOH L 142 12.871 2.966 65.000 1.00 24.49 O +HETATM 1851 O HOH L 143 5.956 5.905 44.161 1.00 23.94 O +HETATM 1852 O HOH L 144 10.842 1.641 66.279 1.00 28.01 O +HETATM 1853 O HOH L 145 24.008 11.167 56.979 1.00 26.56 O +HETATM 1854 O HOH L 146 22.089 4.947 60.155 1.00 27.21 O +HETATM 1855 O HOH L 147 8.471 18.387 56.247 1.00 29.75 O +HETATM 1856 O HOH L 148 17.653 16.711 61.937 1.00 28.60 O +HETATM 1857 O HOH L 149 4.517 9.723 52.090 1.00 25.21 O +HETATM 1858 O HOH L 150 17.882 11.969 26.189 1.00 28.50 O +HETATM 1859 O HOH L 151 6.393 8.877 64.734 1.00 25.07 O +HETATM 1860 O HOH L 152 4.039 11.988 50.304 1.00 23.04 O +HETATM 1861 O HOH L 153 23.823 3.152 55.017 1.00 35.33 O +HETATM 1862 O HOH L 154 18.622 5.021 27.973 1.00 27.98 O +HETATM 1863 O HOH L 155 14.210 16.309 63.669 1.00 30.40 O +HETATM 1864 O HOH L 156 9.441 23.388 48.596 1.00 27.31 O +HETATM 1865 O HOH L 157 25.560 3.415 29.121 1.00 32.56 O +HETATM 1866 O HOH L 158 25.492 21.443 52.707 1.00 34.39 O +HETATM 1867 O HOH L 159 10.093 22.636 50.985 1.00 29.00 O +HETATM 1868 O HOH L 160 15.965 0.702 62.862 1.00 22.99 O +HETATM 1869 O HOH L 161 16.329 15.953 23.908 1.00 27.47 O +HETATM 1870 O HOH L 162 7.724 25.557 48.934 1.00 31.18 O +HETATM 1871 O HOH L 163 25.459 7.861 51.941 1.00 30.82 O +HETATM 1872 O HOH L 164 7.989 5.426 66.597 1.00 32.16 O +HETATM 1873 O HOH L 165 21.695 0.765 47.754 1.00 32.95 O +HETATM 1874 O HOH L 166 7.185 3.402 40.588 1.00 29.56 O +HETATM 1875 O HOH L 167 29.773 16.370 30.582 1.00 31.06 O +HETATM 1876 O HOH L 168 23.118 1.367 50.781 1.00 31.00 O +HETATM 1877 O HOH L 169 3.976 1.492 45.635 1.00 27.10 O +HETATM 1878 O HOH L 170 9.439 -0.269 64.228 1.00 29.84 O +HETATM 1879 O HOH L 171 5.431 6.450 39.970 1.00 28.94 O +HETATM 1880 O HOH L 172 15.102 17.457 59.976 1.00 29.91 O +HETATM 1881 O HOH L 173 16.755 22.833 49.223 1.00 32.07 O +HETATM 1882 O HOH L 174 28.091 17.258 50.637 1.00 27.69 O +HETATM 1883 O HOH L 175 16.274 -0.061 46.044 1.00 26.07 O +HETATM 1884 O HOH L 176 24.643 8.039 28.344 1.00 29.01 O +HETATM 1885 O HOH L 177 1.143 5.860 58.587 1.00 33.73 O +HETATM 1886 O HOH L 178 5.068 0.037 51.001 0.50 24.28 O +HETATM 1887 O HOH L 179 27.362 3.473 41.523 1.00 34.05 O +HETATM 1888 O HOH L 180 25.214 14.392 53.022 1.00 28.60 O +HETATM 1889 O HOH L 181 10.603 13.115 30.302 1.00 26.48 O +HETATM 1890 O HOH L 182 23.711 21.307 54.676 1.00 34.41 O +HETATM 1891 O HOH L 183 19.962 -2.329 41.292 1.00 37.46 O +HETATM 1892 O HOH L 184 11.385 24.288 47.130 1.00 41.22 O +HETATM 1893 O HOH L 185 3.496 11.325 46.238 1.00 31.29 O +HETATM 1894 O HOH L 186 16.082 1.302 41.633 1.00 30.58 O +HETATM 1895 O HOH L 187 4.431 14.171 48.153 1.00 34.12 O +HETATM 1896 O HOH L 188 14.886 23.264 45.631 1.00 33.59 O +HETATM 1897 O HOH L 189 27.114 2.229 37.705 1.00 33.54 O +HETATM 1898 O HOH L 190 19.356 4.966 62.198 1.00 26.83 O +HETATM 1899 O HOH L 191 6.445 25.859 46.680 1.00 33.50 O +HETATM 1900 O HOH L 192 16.025 10.969 24.467 1.00 39.07 O +HETATM 1901 O HOH L 193 11.264 2.265 35.402 1.00 28.23 O +HETATM 1902 O HOH L 194 1.726 15.499 52.712 1.00 35.33 O +HETATM 1903 O HOH L 195 19.106 24.486 28.021 1.00 34.96 O +HETATM 1904 O HOH L 196 1.569 6.652 69.124 1.00 38.76 O +HETATM 1905 O HOH L 197 23.405 18.838 35.598 1.00 31.92 O +HETATM 1906 O HOH L 198 10.526 4.877 35.920 1.00 31.91 O +HETATM 1907 O HOH L 199 3.166 8.977 57.131 1.00 40.50 O diff --git a/biopandas/pdb/tests/test_amino3to1.py b/biopandas/pdb/tests/test_amino3to1.py index 33cc83c..1b754a7 100644 --- a/biopandas/pdb/tests/test_amino3to1.py +++ b/biopandas/pdb/tests/test_amino3to1.py @@ -106,3 +106,12 @@ def test_multichain(): assert expect_res_a == got_res_a assert expect_res_b == got_res_b + +def test_pdb_with_insertion_codes(): + + PDB_2D7T_PATH = os.path.join(os.path.dirname(__file__), + 'data', '2d7t.pdb') + + ppdb = PandasPdb().read_pdb(PDB_2D7T_PATH) + sequence = ppdb.amino3to1() + assert "".join(sequence[50:60]['residue_name'].values) == 'INPKSGDTNY' diff --git a/ci/.travis_install.sh b/ci/.travis_install.sh index b42cfbb..c7547b5 100755 --- a/ci/.travis_install.sh +++ b/ci/.travis_install.sh @@ -19,11 +19,15 @@ deactivate # Use the miniconda installer for faster download / install of conda # itself -wget http://repo.continuum.io/miniconda/Miniconda-3.9.1-Linux-x86_64.sh \ - -O miniconda.sh -chmod +x miniconda.sh && ./miniconda.sh -b -export PATH=/home/travis/miniconda/bin:$PATH -conda update --yes conda +wget https://repo.continuum.io/miniconda/Miniconda3-latest-Linux-x86_64.sh -O miniconda.sh + +bash miniconda.sh -b -p $HOME/miniconda +export PATH="$HOME/miniconda/bin:$PATH" +hash -r +conda config --set always_yes yes --set changeps1 no +conda update -q conda +conda update -q pip +conda info -a # Configure the conda environment and put it in the path using the # provided versions @@ -36,6 +40,7 @@ else pandas=$PANDAS_VERSION fi +conda init bash source activate testenv if [[ "$COVERAGE" == "true" ]]; then diff --git a/docs/sources/CHANGELOG.md b/docs/sources/CHANGELOG.md index 3f458e5..3312dba 100755 --- a/docs/sources/CHANGELOG.md +++ b/docs/sources/CHANGELOG.md @@ -3,12 +3,33 @@ The CHANGELOG for the current development version is available at [https://github.com/rasbt/biopandas/blob/master/docs/sources/CHANGELOG.md](https://github.com/rasbt/biopandas/blob/master/docs/sources/CHANGELOG.md). +### 0.2.5 (07-09-2019) + +##### Downloads + +- [Source code (zip)](https://github.com/rasbt/biopandas/archive/v0.2.5.zip) +- [Source code (tar.gz)](https://github.com/rasbt/biopandas/archive/v0.2.5.tar.gz) + +##### New Features + +- - + +##### Changes + +- - + +##### Bug Fixes + +- The `PandasPdb.amino3to1` method now also considers insertion codes when converting the amino acid codes; before, inserted amino acides were skipped. + + + ### 0.2.4 (02-05-2019) ##### Downloads -- [Source code (zip)] -- [Source code (tar.gz)] +- [Source code (zip)](https://github.com/rasbt/biopandas/archive/v0.2.4.zip) +- [Source code (tar.gz)](https://github.com/rasbt/biopandas/archive/v0.2.4.tar.gz) ##### New Features diff --git a/requirements.txt b/requirements.txt new file mode 100644 index 0000000..db5d86b --- /dev/null +++ b/requirements.txt @@ -0,0 +1,2 @@ +numpy>=1.16.2 +pandas>=0.24.2 \ No newline at end of file diff --git a/setup.py b/setup.py index 9d96983..c4d4497 100644 --- a/setup.py +++ b/setup.py @@ -1,52 +1,32 @@ -from pkgutil import walk_packages -from fnmatch import fnmatch as wc_match -from itertools import chain +from os.path import realpath, dirname, join +from setuptools import setup, find_packages +import biopandas +VERSION = biopandas.__version__ +PROJECT_ROOT = dirname(realpath(__file__)) -try: - from setuptools import setup -except ImportError: - from distutils.core import setup +REQUIREMENTS_FILE = join(PROJECT_ROOT, 'requirements.txt') +with open(REQUIREMENTS_FILE) as f: + install_reqs = f.read().splitlines() -def find_packages(where, exclude=None): - if not exclude: - exclude = () - if isinstance(where, str): - where = (where, ) - - ret_list = [] - for name in chain.from_iterable(map(lambda w: ( - n for _, n, ispkg in w if ispkg), (walk_packages(p) for p in where))): - if not any(wc_match(name, p) for p in exclude): - ret_list.append(name) - - return tuple(ret_list) - - -def calculate_version(): - initpy = open('biopandas/__init__.py').read().split('\n') - version = list(filter(lambda x: '__version__' - in x, initpy))[0].split('\'')[1] - return version - - -package_version = calculate_version() +install_reqs.append('setuptools') setup(name='biopandas', - version=package_version, - description='Molecular Structures in Pandas DataFrames', + version=VERSION, + description='Machine Learning Library Extensions', author='Sebastian Raschka', author_email='mail@sebastianraschka.com', url='https://github.com/rasbt/biopandas', - license='new BSD', - zip_safe=True, - packages=find_packages('.'), + packages=find_packages(), + package_data={'': ['LICENSE.txt', + 'README.md', + 'requirements.txt'] + }, + include_package_data=True, + install_requires=install_reqs, + license='BSD 3-Clause', platforms='any', - install_requires=['numpy', 'pandas'], - keywords=['bioinformatics', 'molecular structures', - 'protein databank', 'computational biology', - 'protein structures'], classifiers=[ 'License :: OSI Approved :: BSD License', 'Development Status :: 5 - Production/Stable', @@ -54,12 +34,10 @@ def calculate_version(): 'Operating System :: POSIX', 'Operating System :: Unix', 'Operating System :: MacOS', - 'Programming Language :: Python :: 2', - 'Programming Language :: Python :: 2.7', 'Programming Language :: Python :: 3', - 'Programming Language :: Python :: 3.3', - 'Programming Language :: Python :: 3.4', 'Programming Language :: Python :: 3.5', + 'Programming Language :: Python :: 3.6', + 'Programming Language :: Python :: 3.7', 'Topic :: Scientific/Engineering', ], long_description="""