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/tests/data/pdb/1dy3_2LIG.pdb
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[3b722e]
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--- a +++ b/tests/data/pdb/1dy3_2LIG.pdb @@ -0,0 +1,446 @@ +HEADER PYROPHOSPHORYLASE 21-JAN-00 1DY3 +ATOM 1 N GLY A 8 21.932 34.718 12.992 1.00 12.50 N +ATOM 2 CA GLY A 8 20.469 34.640 13.082 1.00 12.02 C +ATOM 3 C GLY A 8 19.889 36.020 12.737 1.00 12.24 C +ATOM 4 O GLY A 8 20.485 37.036 13.092 1.00 12.25 O +TER 5 GLY A 8 +ATOM 6 N THR A 42 13.907 28.854 9.902 1.00 10.37 N +ATOM 7 CA THR A 42 13.528 28.095 11.074 1.00 11.06 C +ATOM 8 C THR A 42 12.471 28.794 11.909 1.00 13.37 C +ATOM 9 O THR A 42 12.469 30.001 12.042 1.00 13.07 O +ATOM 10 CB THR A 42 14.774 27.823 11.958 1.00 13.77 C +ATOM 11 OG1 THR A 42 15.313 29.054 12.462 1.00 11.45 O +ATOM 12 CG2 THR A 42 15.890 27.108 11.179 1.00 11.46 C +ATOM 13 N PRO A 43 11.536 28.033 12.474 1.00 15.69 N +ATOM 14 CA PRO A 43 10.513 28.588 13.344 1.00 15.38 C +ATOM 15 C PRO A 43 11.192 29.003 14.622 1.00 13.35 C +ATOM 16 O PRO A 43 12.177 28.360 15.025 1.00 12.28 O +ATOM 17 CB PRO A 43 9.515 27.471 13.500 1.00 17.74 C +ATOM 18 CG PRO A 43 10.317 26.222 13.328 1.00 19.36 C +ATOM 19 CD PRO A 43 11.448 26.558 12.374 1.00 17.48 C +ATOM 20 N PRO A 44 10.742 30.043 15.302 1.00 13.40 N +ATOM 21 CA PRO A 44 11.377 30.483 16.510 1.00 11.72 C +ATOM 22 C PRO A 44 11.369 29.432 17.603 1.00 14.55 C +ATOM 23 O PRO A 44 10.326 28.787 17.816 1.00 14.73 O +ATOM 24 CB PRO A 44 10.590 31.709 16.947 1.00 13.39 C +ATOM 25 CG PRO A 44 9.317 31.662 16.171 1.00 14.63 C +ATOM 26 CD PRO A 44 9.588 30.879 14.906 1.00 12.51 C +ATOM 27 N LEU A 45 12.469 29.291 18.309 1.00 12.79 N +ATOM 28 CA LEU A 45 12.571 28.419 19.476 1.00 13.90 C +ATOM 29 C LEU A 45 12.431 29.360 20.675 1.00 13.94 C +ATOM 30 O LEU A 45 12.993 30.462 20.547 1.00 14.63 O +ATOM 31 CB LEU A 45 13.858 27.643 19.511 1.00 18.76 C +ATOM 32 CG LEU A 45 14.153 26.670 20.639 1.00 29.32 C +ATOM 33 CD1 LEU A 45 13.095 25.581 20.732 1.00 29.01 C +ATOM 34 CD2 LEU A 45 15.539 26.037 20.452 1.00 24.77 C +ATOM 35 N GLY A 46 11.726 29.012 21.731 1.00 13.79 N +ATOM 36 CA GLY A 46 11.632 30.017 22.859 1.00 15.29 C +ATOM 37 C GLY A 46 10.330 30.774 22.601 1.00 15.23 C +ATOM 38 O GLY A 46 9.335 30.147 22.199 1.00 16.91 O +ATOM 39 N PRO A 47 10.330 32.070 22.773 1.00 16.22 N +ATOM 40 CA PRO A 47 9.134 32.878 22.507 1.00 15.91 C +ATOM 41 C PRO A 47 8.661 32.651 21.083 1.00 16.90 C +ATOM 42 O PRO A 47 9.421 32.839 20.130 1.00 16.25 O +ATOM 43 CB PRO A 47 9.548 34.287 22.836 1.00 15.78 C +ATOM 44 CG PRO A 47 10.724 34.134 23.758 1.00 18.06 C +ATOM 45 CD PRO A 47 11.451 32.908 23.233 1.00 16.30 C +TER 46 PRO A 47 +ATOM 47 N GLN A 50 7.035 35.670 17.203 1.00 12.18 N +ATOM 48 CA GLN A 50 7.997 36.484 16.422 1.00 12.21 C +ATOM 49 C GLN A 50 8.187 35.780 15.099 1.00 11.31 C +ATOM 50 O GLN A 50 7.815 34.607 14.957 1.00 11.07 O +ATOM 51 CB GLN A 50 9.266 36.690 17.243 1.00 12.76 C +ATOM 52 CG GLN A 50 9.956 35.366 17.564 1.00 12.01 C +ATOM 53 CD GLN A 50 11.245 35.583 18.341 1.00 16.32 C +ATOM 54 OE1 GLN A 50 12.101 36.337 17.890 1.00 12.02 O +ATOM 55 NE2 GLN A 50 11.348 34.918 19.487 1.00 15.67 N +TER 56 GLN A 50 +ATOM 57 N TYR A 53 13.074 32.714 11.530 1.00 9.18 N +ATOM 58 CA TYR A 53 14.451 33.113 11.388 1.00 9.64 C +ATOM 59 C TYR A 53 15.177 32.578 10.169 1.00 9.86 C +ATOM 60 O TYR A 53 14.830 31.545 9.613 1.00 8.79 O +ATOM 61 CB TYR A 53 15.241 32.578 12.619 1.00 10.13 C +ATOM 62 CG TYR A 53 15.073 33.396 13.879 1.00 10.61 C +ATOM 63 CD1 TYR A 53 13.960 33.284 14.694 1.00 8.81 C +ATOM 64 CD2 TYR A 53 16.108 34.265 14.250 1.00 9.66 C +ATOM 65 CE1 TYR A 53 13.843 34.070 15.841 1.00 7.67 C +ATOM 66 CE2 TYR A 53 16.005 35.030 15.413 1.00 9.00 C +ATOM 67 CZ TYR A 53 14.873 34.935 16.179 1.00 9.03 C +ATOM 68 OH TYR A 53 14.771 35.706 17.310 1.00 11.66 O +TER 69 TYR A 53 +ATOM 70 N ASN A 55 18.816 31.326 9.544 1.00 10.24 N +ATOM 71 CA ASN A 55 19.947 30.899 10.361 1.00 8.34 C +ATOM 72 C ASN A 55 21.034 30.325 9.449 1.00 9.77 C +ATOM 73 O ASN A 55 20.723 29.662 8.467 1.00 9.59 O +ATOM 74 CB ASN A 55 19.568 29.859 11.415 1.00 10.98 C +ATOM 75 CG ASN A 55 18.866 30.414 12.627 1.00 13.06 C +ATOM 76 OD1 ASN A 55 17.724 30.071 12.945 1.00 13.21 O +ATOM 77 ND2 ASN A 55 19.568 31.289 13.363 1.00 10.25 N +TER 78 ASN A 55 +ATOM 79 N LEU A 70 34.904 39.277 19.515 1.00 11.27 N +ATOM 80 CA LEU A 70 33.611 39.706 20.056 1.00 12.51 C +ATOM 81 C LEU A 70 33.362 41.193 19.856 1.00 11.92 C +ATOM 82 O LEU A 70 32.234 41.617 19.554 1.00 11.80 O +ATOM 83 CB LEU A 70 33.497 39.391 21.555 1.00 10.35 C +ATOM 84 CG LEU A 70 32.125 39.567 22.204 1.00 12.19 C +ATOM 85 CD1 LEU A 70 31.071 38.737 21.477 1.00 15.60 C +ATOM 86 CD2 LEU A 70 32.128 39.153 23.677 1.00 10.82 C +TER 87 LEU A 70 +ATOM 88 N GLN A 74 30.080 42.370 17.773 1.00 10.37 N +ATOM 89 CA GLN A 74 29.142 43.300 18.411 1.00 11.96 C +ATOM 90 C GLN A 74 29.061 44.619 17.656 1.00 12.97 C +ATOM 91 O GLN A 74 27.962 45.224 17.609 1.00 12.76 O +ATOM 92 CB GLN A 74 29.506 43.529 19.894 1.00 10.10 C +ATOM 93 CG GLN A 74 29.290 42.212 20.679 1.00 12.65 C +ATOM 94 CD GLN A 74 29.442 42.365 22.168 1.00 20.35 C +ATOM 95 OE1 GLN A 74 28.856 41.587 22.950 1.00 22.93 O +ATOM 96 NE2 GLN A 74 30.217 43.331 22.620 1.00 14.59 N +TER 97 GLN A 74 +ATOM 98 N GLU A 77 26.762 43.884 14.711 1.00 9.59 N +ATOM 99 CA GLU A 77 25.381 43.832 15.165 1.00 10.89 C +ATOM 100 C GLU A 77 24.824 45.244 15.319 1.00 13.92 C +ATOM 101 O GLU A 77 23.753 45.567 14.810 1.00 13.97 O +ATOM 102 CB GLU A 77 25.239 43.098 16.504 1.00 8.70 C +ATOM 103 CG GLU A 77 25.508 41.594 16.403 1.00 11.05 C +ATOM 104 CD GLU A 77 25.438 40.945 17.773 1.00 11.85 C +ATOM 105 OE1 GLU A 77 25.820 41.625 18.748 1.00 13.85 O +ATOM 106 OE2 GLU A 77 25.026 39.780 17.874 1.00 13.86 O +TER 107 GLU A 77 +ATOM 108 N ARG A 82 21.000 46.381 15.807 1.00 19.70 N +ATOM 109 CA ARG A 82 20.704 45.584 16.991 1.00 21.64 C +ATOM 110 C ARG A 82 20.713 46.476 18.231 1.00 23.54 C +ATOM 111 O ARG A 82 21.722 47.149 18.452 1.00 22.26 O +ATOM 112 CB ARG A 82 21.718 44.476 17.181 1.00 20.82 C +ATOM 113 CG ARG A 82 21.609 43.551 18.389 1.00 19.88 C +ATOM 114 CD ARG A 82 20.428 42.654 18.341 1.00 17.70 C +ATOM 115 NE ARG A 82 20.214 41.639 19.322 1.00 15.93 N +ATOM 116 CZ ARG A 82 20.751 40.466 19.543 1.00 17.07 C +ATOM 117 NH1 ARG A 82 21.712 39.955 18.773 1.00 13.06 N +ATOM 118 NH2 ARG A 82 20.309 39.709 20.534 1.00 17.82 N +TER 119 ARG A 82 +ATOM 120 N ARG A 84 20.065 45.915 22.186 1.00 34.62 N +ATOM 121 CA ARG A 84 19.669 44.923 23.166 1.00 39.34 C +ATOM 122 C ARG A 84 19.213 45.612 24.467 1.00 41.66 C +ATOM 123 O ARG A 84 19.566 46.706 24.865 1.00 41.74 O +ATOM 124 CB ARG A 84 20.760 43.990 23.635 1.00 42.59 C +ATOM 125 CG ARG A 84 21.992 43.920 22.758 1.00 44.89 C +ATOM 126 CD ARG A 84 23.048 43.080 23.440 1.00 45.49 C +ATOM 127 NE ARG A 84 23.239 41.745 22.864 1.00 45.89 N +ATOM 128 CZ ARG A 84 23.887 41.672 21.683 1.00 41.72 C +ATOM 129 NH1 ARG A 84 24.316 42.806 21.122 1.00 44.22 N +ATOM 130 NH2 ARG A 84 24.169 40.552 21.061 1.00 38.05 N +TER 131 ARG A 84 +ATOM 132 N ARG A 88 16.085 39.381 26.722 1.00 30.96 N +ATOM 133 CA ARG A 88 16.802 38.711 25.697 1.00 27.86 C +ATOM 134 C ARG A 88 16.312 38.015 24.458 1.00 24.17 C +ATOM 135 O ARG A 88 17.096 38.097 23.486 1.00 26.37 O +ATOM 136 CB ARG A 88 17.384 37.418 26.487 1.00 33.10 C +ATOM 137 CG ARG A 88 18.660 37.801 27.198 1.00 40.48 C +ATOM 138 CD ARG A 88 19.150 36.588 28.000 1.00 46.38 C +ATOM 139 NE ARG A 88 18.349 36.377 29.197 1.00 42.19 N +ATOM 140 CZ ARG A 88 18.468 35.379 30.056 1.00 43.86 C +ATOM 141 NH1 ARG A 88 19.353 34.406 29.852 1.00 46.04 N +ATOM 142 NH2 ARG A 88 17.714 35.315 31.148 1.00 37.43 N +ATOM 143 N TRP A 89 15.262 37.234 24.485 1.00 19.87 N +ATOM 144 CA TRP A 89 14.952 36.404 23.315 1.00 17.08 C +ATOM 145 C TRP A 89 13.874 36.875 22.385 1.00 15.24 C +ATOM 146 O TRP A 89 13.084 36.059 21.898 1.00 16.04 O +ATOM 147 CB TRP A 89 14.589 35.000 23.904 1.00 14.93 C +ATOM 148 CG TRP A 89 15.761 34.497 24.716 1.00 17.79 C +ATOM 149 CD1 TRP A 89 17.063 34.443 24.289 1.00 16.65 C +ATOM 150 CD2 TRP A 89 15.721 33.818 25.971 1.00 19.48 C +ATOM 151 NE1 TRP A 89 17.848 33.858 25.257 1.00 19.97 N +ATOM 152 CE2 TRP A 89 17.040 33.443 26.285 1.00 21.94 C +ATOM 153 CE3 TRP A 89 14.693 33.512 26.865 1.00 22.67 C +ATOM 154 CZ2 TRP A 89 17.369 32.787 27.473 1.00 28.67 C +ATOM 155 CZ3 TRP A 89 15.017 32.854 28.049 1.00 27.82 C +ATOM 156 CH2 TRP A 89 16.342 32.509 28.341 1.00 30.92 C +ATOM 157 N GLY A 90 13.859 38.174 22.120 1.00 14.68 N +ATOM 158 CA GLY A 90 12.873 38.750 21.197 1.00 14.35 C +ATOM 159 C GLY A 90 13.518 38.846 19.812 1.00 13.86 C +ATOM 160 O GLY A 90 14.659 38.402 19.621 1.00 14.67 O +TER 161 GLY A 90 +ATOM 162 N ARG A 92 15.228 40.138 16.314 1.00 9.76 N +ATOM 163 CA ARG A 92 16.423 40.988 16.144 1.00 8.81 C +ATOM 164 C ARG A 92 16.828 41.048 14.697 1.00 8.66 C +ATOM 165 O ARG A 92 16.593 40.116 13.911 1.00 9.57 O +ATOM 166 CB ARG A 92 17.589 40.481 17.006 1.00 13.42 C +ATOM 167 CG ARG A 92 18.263 39.199 16.542 1.00 10.45 C +ATOM 168 CD ARG A 92 17.349 37.972 16.730 1.00 12.92 C +ATOM 169 NE ARG A 92 17.046 37.870 18.149 1.00 12.62 N +ATOM 170 CZ ARG A 92 17.771 37.362 19.130 1.00 17.49 C +ATOM 171 NH1 ARG A 92 18.895 36.691 18.900 1.00 13.40 N +ATOM 172 NH2 ARG A 92 17.324 37.476 20.383 1.00 12.38 N +TER 173 ARG A 92 +ATOM 174 N ASP A 95 22.049 38.689 14.764 1.00 6.87 N +ATOM 175 CA ASP A 95 22.596 38.062 15.941 1.00 8.15 C +ATOM 176 C ASP A 95 23.841 37.278 15.533 1.00 9.13 C +ATOM 177 O ASP A 95 23.716 36.390 14.687 1.00 8.37 O +ATOM 178 CB ASP A 95 21.538 37.153 16.558 1.00 5.37 C +ATOM 179 CG ASP A 95 22.038 36.537 17.837 1.00 12.83 C +ATOM 180 OD1 ASP A 95 22.590 37.310 18.629 1.00 11.59 O +ATOM 181 OD2 ASP A 95 21.902 35.338 18.032 1.00 9.30 O +ATOM 182 N LEU A 96 24.994 37.625 16.059 1.00 9.63 N +ATOM 183 CA LEU A 96 26.247 36.945 15.739 1.00 8.79 C +ATOM 184 C LEU A 96 26.776 36.333 17.030 1.00 10.57 C +ATOM 185 O LEU A 96 27.161 37.044 17.974 1.00 10.91 O +ATOM 186 CB LEU A 96 27.281 37.886 15.133 1.00 9.59 C +ATOM 187 CG LEU A 96 26.909 38.587 13.817 1.00 10.30 C +ATOM 188 CD1 LEU A 96 27.986 39.574 13.386 1.00 9.74 C +ATOM 189 CD2 LEU A 96 26.662 37.567 12.705 1.00 11.16 C +ATOM 190 N ASP A 97 26.754 35.006 17.126 1.00 8.67 N +ATOM 191 CA ASP A 97 27.223 34.293 18.267 1.00 7.71 C +ATOM 192 C ASP A 97 28.520 33.520 17.999 1.00 9.37 C +ATOM 193 O ASP A 97 28.544 32.842 16.973 1.00 9.92 O +ATOM 194 CB ASP A 97 26.264 33.178 18.744 1.00 8.20 C +ATOM 195 CG ASP A 97 25.045 33.765 19.410 1.00 13.81 C +ATOM 196 OD1 ASP A 97 24.988 34.976 19.385 1.00 11.37 O +ATOM 197 OD2 ASP A 97 24.215 33.079 19.957 1.00 16.98 O +ATOM 198 N ILE A 98 29.428 33.555 18.954 1.00 8.33 N +ATOM 199 CA ILE A 98 30.648 32.728 18.760 1.00 9.15 C +ATOM 200 C ILE A 98 30.315 31.347 19.292 1.00 7.51 C +ATOM 201 O ILE A 98 30.111 31.221 20.487 1.00 7.86 O +ATOM 202 CB ILE A 98 31.861 33.371 19.436 1.00 10.38 C +ATOM 203 CG1 ILE A 98 32.121 34.750 18.838 1.00 10.12 C +ATOM 204 CG2 ILE A 98 33.084 32.458 19.295 1.00 9.82 C +ATOM 205 CD1 ILE A 98 33.236 35.524 19.535 1.00 20.49 C +TER 206 ILE A 98 +ATOM 207 N GLU A 109 32.409 36.871 32.022 1.00 21.09 N +ATOM 208 CA GLU A 109 31.128 37.597 32.012 1.00 21.08 C +ATOM 209 C GLU A 109 30.760 38.020 30.611 1.00 20.41 C +ATOM 210 O GLU A 109 29.575 38.065 30.245 1.00 23.78 O +ATOM 211 CB GLU A 109 31.274 38.757 32.995 1.00 33.60 C +ATOM 212 CG GLU A 109 30.031 39.394 33.545 1.00 37.19 C +ATOM 213 CD GLU A 109 30.318 40.585 34.451 1.00 40.29 C +ATOM 214 OE1 GLU A 109 31.272 40.552 35.250 1.00 44.04 O +ATOM 215 OE2 GLU A 109 29.558 41.576 34.331 1.00 41.59 O +ATOM 216 N ARG A 110 31.753 38.292 29.736 1.00 17.88 N +ATOM 217 CA ARG A 110 31.442 38.676 28.376 1.00 17.81 C +ATOM 218 C ARG A 110 31.324 37.477 27.428 1.00 17.68 C +ATOM 219 O ARG A 110 30.630 37.556 26.419 1.00 18.36 O +ATOM 220 CB ARG A 110 32.505 39.573 27.735 1.00 17.14 C +ATOM 221 CG ARG A 110 32.771 40.921 28.389 1.00 22.76 C +ATOM 222 CD ARG A 110 33.659 41.732 27.410 1.00 22.48 C +ATOM 223 NE ARG A 110 32.890 42.082 26.196 1.00 24.24 N +ATOM 224 CZ ARG A 110 33.480 42.510 25.083 1.00 22.39 C +ATOM 225 NH1 ARG A 110 34.804 42.576 25.063 1.00 23.21 N +ATOM 226 NH2 ARG A 110 32.817 42.819 23.977 1.00 25.59 N +ATOM 227 N LEU A 111 32.069 36.421 27.730 1.00 18.01 N +ATOM 228 CA LEU A 111 32.099 35.314 26.765 1.00 18.84 C +ATOM 229 C LEU A 111 32.119 33.927 27.341 1.00 18.29 C +ATOM 230 O LEU A 111 32.940 33.559 28.190 1.00 17.36 O +ATOM 231 CB LEU A 111 33.363 35.651 25.945 1.00 21.34 C +ATOM 232 CG LEU A 111 33.648 34.993 24.631 1.00 21.15 C +ATOM 233 CD1 LEU A 111 32.477 35.145 23.654 1.00 20.23 C +ATOM 234 CD2 LEU A 111 34.906 35.572 23.971 1.00 21.27 C +ATOM 235 N THR A 112 31.124 33.148 26.909 1.00 15.90 N +ATOM 236 CA THR A 112 30.980 31.740 27.304 1.00 13.95 C +ATOM 237 C THR A 112 31.062 30.933 26.012 1.00 13.09 C +ATOM 238 O THR A 112 30.265 31.099 25.094 1.00 10.78 O +ATOM 239 CB THR A 112 29.699 31.470 28.099 1.00 17.73 C +ATOM 240 OG1 THR A 112 29.790 32.111 29.387 1.00 15.81 O +ATOM 241 CG2 THR A 112 29.466 29.989 28.348 1.00 10.77 C +ATOM 242 N VAL A 113 32.122 30.137 25.864 1.00 11.22 N +ATOM 243 CA VAL A 113 32.427 29.304 24.723 1.00 13.24 C +ATOM 244 C VAL A 113 32.875 27.917 25.166 1.00 14.82 C +ATOM 245 O VAL A 113 33.735 27.854 26.069 1.00 13.36 O +ATOM 246 CB VAL A 113 33.576 29.900 23.888 1.00 14.79 C +ATOM 247 CG1 VAL A 113 33.956 28.987 22.718 1.00 17.31 C +ATOM 248 CG2 VAL A 113 33.254 31.279 23.320 1.00 12.45 C +TER 249 VAL A 113 +ATOM 250 N HIS A 115 29.308 28.037 23.083 1.00 10.72 N +ATOM 251 CA HIS A 115 28.052 28.721 23.361 1.00 11.30 C +ATOM 252 C HIS A 115 27.275 27.860 24.346 1.00 12.84 C +ATOM 253 O HIS A 115 27.103 26.662 24.069 1.00 12.39 O +ATOM 254 CB HIS A 115 27.276 28.962 22.076 1.00 12.72 C +ATOM 255 CG HIS A 115 25.946 29.620 22.281 1.00 18.74 C +ATOM 256 ND1 HIS A 115 25.686 30.934 21.977 1.00 19.44 N +ATOM 257 CD2 HIS A 115 24.803 29.103 22.818 1.00 11.38 C +ATOM 258 CE1 HIS A 115 24.413 31.195 22.265 1.00 15.98 C +ATOM 259 NE2 HIS A 115 23.882 30.115 22.797 1.00 19.39 N +ATOM 260 N TYR A 116 26.789 28.470 25.422 1.00 12.39 N +ATOM 261 CA TYR A 116 26.145 27.746 26.503 1.00 15.38 C +ATOM 262 C TYR A 116 24.947 26.902 26.130 1.00 15.39 C +ATOM 263 O TYR A 116 24.698 25.959 26.917 1.00 18.10 O +ATOM 264 CB TYR A 116 25.676 28.750 27.599 1.00 15.34 C +ATOM 265 CG TYR A 116 24.374 29.449 27.277 1.00 17.03 C +ATOM 266 CD1 TYR A 116 24.279 30.444 26.327 1.00 16.30 C +ATOM 267 CD2 TYR A 116 23.220 29.104 28.005 1.00 19.65 C +ATOM 268 CE1 TYR A 116 23.075 31.079 26.066 1.00 17.69 C +ATOM 269 CE2 TYR A 116 22.011 29.737 27.748 1.00 19.14 C +ATOM 270 CZ TYR A 116 21.946 30.712 26.790 1.00 18.71 C +ATOM 271 OH TYR A 116 20.753 31.339 26.532 1.00 19.34 O +ATOM 272 N ASP A 117 24.219 27.134 25.066 1.00 14.42 N +ATOM 273 CA ASP A 117 23.041 26.319 24.789 1.00 14.24 C +ATOM 274 C ASP A 117 23.043 25.660 23.439 1.00 13.45 C +ATOM 275 O ASP A 117 22.039 25.078 23.028 1.00 11.93 O +ATOM 276 CB ASP A 117 21.818 27.277 24.892 1.00 13.25 C +ATOM 277 CG ASP A 117 20.504 26.544 25.061 1.00 17.78 C +ATOM 278 OD1 ASP A 117 20.471 25.565 25.845 1.00 17.49 O +ATOM 279 OD2 ASP A 117 19.494 26.946 24.449 1.00 20.83 O +TER 280 ASP A 117 +ATOM 281 N ARG A 121 20.154 23.366 20.404 1.00 12.39 N +ATOM 282 CA ARG A 121 19.537 24.124 19.327 1.00 11.27 C +ATOM 283 C ARG A 121 19.820 23.577 17.949 1.00 10.95 C +ATOM 284 O ARG A 121 20.913 23.742 17.383 1.00 9.41 O +ATOM 285 CB ARG A 121 20.043 25.588 19.385 1.00 12.18 C +ATOM 286 CG ARG A 121 19.780 26.250 20.740 1.00 12.09 C +ATOM 287 CD ARG A 121 20.227 27.699 20.761 1.00 10.97 C +ATOM 288 NE ARG A 121 19.985 28.302 22.083 1.00 14.28 N +ATOM 289 CZ ARG A 121 20.209 29.598 22.321 1.00 14.38 C +ATOM 290 NH1 ARG A 121 20.661 30.388 21.352 1.00 11.49 N +ATOM 291 NH2 ARG A 121 19.993 30.084 23.542 1.00 11.56 N +TER 292 ARG A 121 +ATOM 293 N PHE A 123 18.895 24.729 15.201 1.00 10.47 N +ATOM 294 CA PHE A 123 19.198 25.803 14.235 1.00 11.47 C +ATOM 295 C PHE A 123 20.657 26.229 14.309 1.00 10.51 C +ATOM 296 O PHE A 123 21.117 26.956 13.407 1.00 10.99 O +ATOM 297 CB PHE A 123 18.264 27.009 14.421 1.00 11.12 C +ATOM 298 CG PHE A 123 18.340 27.690 15.772 1.00 10.54 C +ATOM 299 CD1 PHE A 123 19.324 28.615 16.033 1.00 11.71 C +ATOM 300 CD2 PHE A 123 17.384 27.445 16.741 1.00 12.44 C +ATOM 301 CE1 PHE A 123 19.398 29.257 17.265 1.00 16.05 C +ATOM 302 CE2 PHE A 123 17.434 28.086 17.968 1.00 12.83 C +ATOM 303 CZ PHE A 123 18.442 28.984 18.223 1.00 13.47 C +TER 304 PHE A 123 +HETATM 305 PG ATP A 200 21.458 33.569 23.543 1.00 14.98 P +HETATM 306 O1G ATP A 200 21.649 32.730 22.351 1.00 14.01 O +HETATM 307 O2G ATP A 200 20.773 32.806 24.614 1.00 13.48 O +HETATM 308 O3G ATP A 200 22.790 34.015 24.029 1.00 16.16 O +HETATM 309 PB ATP A 200 20.948 36.119 22.341 1.00 17.71 P +HETATM 310 O1B ATP A 200 19.803 36.794 21.727 1.00 20.59 O +HETATM 311 O2B ATP A 200 21.951 35.701 21.408 1.00 15.08 O +HETATM 312 O3B ATP A 200 20.553 34.848 23.238 1.00 15.75 O +HETATM 313 PA ATP A 200 22.515 38.342 23.089 1.00 17.50 P +HETATM 314 O1A ATP A 200 22.895 38.568 21.735 1.00 11.54 O +HETATM 315 O2A ATP A 200 21.826 39.645 23.436 1.00 14.20 O +HETATM 316 O3A ATP A 200 21.652 37.049 23.443 1.00 15.18 O +HETATM 317 O5' ATP A 200 23.713 38.060 24.089 1.00 20.50 O +HETATM 318 C5' ATP A 200 24.724 39.054 24.181 1.00 21.21 C +HETATM 319 C4' ATP A 200 25.438 38.837 25.536 1.00 18.74 C +HETATM 320 O4' ATP A 200 25.947 37.496 25.559 1.00 20.34 O +HETATM 321 C3' ATP A 200 26.603 39.805 25.628 1.00 23.43 C +HETATM 322 O3' ATP A 200 26.678 40.287 27.003 1.00 34.49 O +HETATM 323 C2' ATP A 200 27.795 38.856 25.240 1.00 20.31 C +HETATM 324 O2' ATP A 200 28.916 39.322 26.042 1.00 19.31 O +HETATM 325 C1' ATP A 200 27.308 37.510 25.843 1.00 18.98 C +HETATM 326 N9 ATP A 200 27.960 36.340 25.287 1.00 15.97 N +HETATM 327 C8 ATP A 200 28.441 35.285 25.986 1.00 11.82 C +HETATM 328 N7 ATP A 200 28.887 34.286 25.290 1.00 15.86 N +HETATM 329 C5 ATP A 200 28.718 34.675 24.048 1.00 12.19 C +HETATM 330 C6 ATP A 200 29.010 34.011 22.879 1.00 15.01 C +HETATM 331 N6 ATP A 200 29.553 32.800 22.777 1.00 14.58 N +HETATM 332 N1 ATP A 200 28.732 34.654 21.721 1.00 15.16 N +HETATM 333 C2 ATP A 200 28.165 35.910 21.770 1.00 15.27 C +HETATM 334 N3 ATP A 200 27.843 36.603 22.847 1.00 14.89 N +HETATM 335 C4 ATP A 200 28.141 35.929 23.970 1.00 13.97 C +HETATM 336 N2 87Y A 201 16.636 30.962 15.501 1.00 7.79 N +HETATM 337 C3 87Y A 201 17.399 31.751 16.293 1.00 10.29 C +HETATM 338 O8 87Y A 201 18.472 32.210 15.789 1.00 9.92 O +HETATM 339 C7 87Y A 201 16.942 31.867 17.673 1.00 10.87 C +HETATM 340 N10 87Y A 201 17.718 32.599 18.607 1.00 12.74 N +HETATM 341 C12 87Y A 201 17.288 32.844 19.784 1.00 13.48 C +HETATM 342 C15 87Y A 201 17.924 33.745 20.807 1.00 16.76 C +HETATM 343 O16 87Y A 201 19.271 33.683 20.389 1.00 19.97 O +HETATM 344 C11 87Y A 201 15.929 32.422 20.289 1.00 14.39 C +HETATM 345 C14 87Y A 201 15.764 32.037 21.735 1.00 14.42 C +HETATM 346 C13 87Y A 201 15.181 33.836 20.108 1.00 10.34 C +HETATM 347 N9 87Y A 201 15.193 31.601 19.313 1.00 13.18 N +HETATM 348 C6 87Y A 201 15.741 31.402 18.103 1.00 11.45 C +HETATM 349 N4 87Y A 201 15.043 30.628 17.143 1.00 10.33 N +HETATM 350 C1 87Y A 201 15.512 30.392 15.941 1.00 9.31 C +HETATM 351 N5 87Y A 201 14.825 29.597 15.134 1.00 8.19 N +HETATM 352 C17 87Y A 201 16.578 30.697 21.847 1.00 17.14 C +HETATM 353 C18 87Y A 201 16.097 30.055 23.122 1.00 21.01 C +HETATM 354 C19 87Y A 201 16.283 30.607 24.376 1.00 22.71 C +HETATM 355 C20 87Y A 201 15.882 30.041 25.589 1.00 24.35 C +HETATM 356 C21 87Y A 201 15.235 28.798 25.525 1.00 25.10 C +HETATM 357 C22 87Y A 201 15.053 28.238 24.256 1.00 23.39 C +HETATM 358 C23 87Y A 201 15.459 28.797 23.039 1.00 22.62 C +HETATM 359 MG MG A 202 21.866 33.755 19.969 1.00 17.30 Mg +HETATM 360 MG MG A 203 23.912 36.685 20.539 1.00 23.64 Mg +HETATM 361 O HOH A2039 13.806 25.776 15.159 1.00 30.24 O +HETATM 362 O HOH A2055 21.788 31.501 15.857 1.00 17.43 O +HETATM 363 O HOH A2068 25.646 38.194 19.789 1.00 9.90 O +HETATM 364 O HOH A2078 17.955 42.152 24.202 1.00 43.67 O +HETATM 365 O HOH A2084 19.476 34.819 16.682 1.00 11.78 O +HETATM 366 O HOH A2086 28.378 39.362 18.765 1.00 14.33 O +HETATM 367 O HOH A2099 27.439 31.420 25.515 1.00 14.07 O +HETATM 368 O HOH A2100 29.285 34.639 29.553 1.00 34.80 O +HETATM 369 O HOH A2103 18.797 29.504 26.121 1.00 43.43 O +HETATM 370 O HOH A2136 24.899 35.968 22.763 1.00 18.28 O +HETATM 371 O HOH A2137 25.761 33.262 24.793 1.00 25.71 O +HETATM 372 O HOH A2138 19.144 40.042 23.235 1.00 30.41 O +HETATM 373 O HOH A2139 29.858 41.939 25.864 1.00 26.31 O +HETATM 374 O HOH A2140 27.219 39.301 21.630 1.00 16.16 O +HETATM 375 O HOH A2141 20.708 32.030 18.428 1.00 14.81 O +CONECT 180 360 +CONECT 181 359 +CONECT 196 360 +CONECT 197 359 +CONECT 325 320 323 326 +CONECT 333 332 334 +CONECT 323 321 324 325 +CONECT 321 319 322 323 +CONECT 335 326 329 334 +CONECT 319 318 320 321 +CONECT 329 328 330 335 +CONECT 318 317 319 +CONECT 330 329 331 332 +CONECT 327 326 328 +CONECT 332 330 333 +CONECT 334 333 335 +CONECT 331 330 +CONECT 328 327 329 +CONECT 326 325 327 335 +CONECT 314 313 +CONECT 314 360 +CONECT 310 309 +CONECT 306 305 +CONECT 306 359 +CONECT 324 323 +CONECT 315 313 +CONECT 311 309 +CONECT 311 360 359 +CONECT 307 305 +CONECT 322 321 +CONECT 316 309 313 +CONECT 312 305 309 +CONECT 308 305 +CONECT 320 319 325 +CONECT 317 313 318 +CONECT 313 314 315 316 317 +CONECT 309 310 311 312 316 +CONECT 305 306 307 308 312 +CONECT 350 336 349 351 +CONECT 344 341 345 346 347 +CONECT 341 340 342 344 +CONECT 346 344 +CONECT 345 344 352 +CONECT 342 341 343 +CONECT 352 345 353 +CONECT 353 352 354 358 +CONECT 354 353 355 +CONECT 355 354 356 +CONECT 356 355 357 +CONECT 357 356 358 +CONECT 358 353 357 +CONECT 337 336 338 339 +CONECT 348 339 347 349 +CONECT 339 337 340 348 +CONECT 340 339 341 +CONECT 336 337 350 +CONECT 349 348 350 +CONECT 351 350 +CONECT 347 344 348 +CONECT 343 342 +CONECT 343 359 +CONECT 338 337 +CONECT 359 306 343 311 375 +CONECT 359 197 181 +CONECT 360 311 363 370 180 +CONECT 360 314 196 +CONECT 363 360 +CONECT 370 360 +CONECT 375 359 +END