bend:pdbqt_example
This is an old revision of the document!
This file was manually generated using AutoDock tools (adt), following the tutorial video from AutoDock Vina: http://vina.scripps.edu/tutorial.html
REMARK 4 XXXX COMPLIES WITH FORMAT V. 2.0 ATOM 1 N SER A 1 -32.073 9.085 33.695 1.00 38.90 -0.064 N ATOM 2 HN1 SER A 1 -32.942 9.134 33.163 1.00 0.00 0.275 HD ATOM 3 HN2 SER A 1 -31.268 8.932 33.087 1.00 0.00 0.275 HD ATOM 4 HN3 SER A 1 -31.812 9.996 34.073 1.00 0.00 0.275 HD ATOM 5 CA SER A 1 -32.156 8.073 34.741 1.00 37.44 0.297 C ATOM 6 C SER A 1 -30.857 8.000 35.536 1.00 34.96 0.250 C ATOM 7 O SER A 1 -30.047 8.926 35.507 1.00 33.29 -0.271 OA ATOM 8 CB SER A 1 -32.483 6.704 34.140 1.00 44.07 0.206 C ATOM 9 OG SER A 1 -31.312 6.067 33.660 1.00 47.56 -0.398 OA ATOM 10 HG SER A 1 -31.515 5.217 33.287 1.00 0.00 0.209 HD ATOM 11 N GLY A 2 -30.665 6.892 36.240 1.00 36.02 -0.350 N ATOM 12 HN GLY A 2 -31.354 6.143 36.178 1.00 0.00 0.163 HD ATOM 13 CA GLY A 2 -29.510 6.712 37.092 1.00 34.67 0.225 C ATOM 14 C GLY A 2 -29.828 6.998 38.551 1.00 38.34 0.236 C ATOM 15 O GLY A 2 -30.810 7.663 38.892 1.00 45.40 -0.272 OA ATOM 16 N PHE A 3 -28.974 6.479 39.430 1.00 38.38 -0.346 N ATOM 17 HN PHE A 3 -28.175 5.942 39.092 1.00 0.00 0.163 HD ATOM 18 CA PHE A 3 -29.155 6.661 40.866 1.00 36.10 0.180 C ATOM 19 C PHE A 3 -27.790 6.744 41.527 1.00 44.18 0.241 C ATOM 20 O PHE A 3 -26.981 5.820 41.399 1.00 40.82 -0.271 OA ATOM 21 CB PHE A 3 -29.978 5.522 41.468 1.00 38.52 0.073 C ATOM 22 CG PHE A 3 -30.635 5.875 42.770 1.00 40.78 -0.056 A ATOM 23 CD1 PHE A 3 -31.642 6.824 42.816 1.00 43.38 0.007 A ATOM 24 CD2 PHE A 3 -30.247 5.261 43.949 1.00 40.00 0.007 A ATOM 25 CE1 PHE A 3 -32.251 7.155 44.012 1.00 42.94 0.001 A ATOM 26 CE2 PHE A 3 -30.851 5.586 45.148 1.00 40.35 0.001 A ATOM 27 CZ PHE A 3 -31.854 6.534 45.179 1.00 43.94 0.000 A ATOM 28 N ARG A 4 -27.541 7.844 42.233 1.00 39.42 -0.346 N ATOM 29 HN ARG A 4 -28.265 8.559 42.298 1.00 0.00 0.163 HD ATOM 30 CA ARG A 4 -26.277 8.066 42.915 1.00 38.88 0.176 C ATOM 31 C ARG A 4 -26.545 8.642 44.296 1.00 40.55 0.241 C ATOM 32 O ARG A 4 -27.552 9.320 44.517 1.00 36.11 -0.271 OA ATOM 33 CB ARG A 4 -25.367 9.020 42.127 1.00 36.87 0.036 C ATOM 34 CG ARG A 4 -24.669 8.388 40.936 1.00 42.81 0.023 C ATOM 35 CD ARG A 4 -23.342 7.771 41.340 1.00 42.72 0.138 C ATOM 36 NE ARG A 4 -22.460 7.579 40.193 1.00 47.79 -0.227 N ATOM 37 HE ARG A 4 -22.805 7.854 39.274 1.00 0.00 0.177 HD ATOM 38 CZ ARG A 4 -21.235 7.068 40.270 1.00 53.27 0.665 C ATOM 39 NH1 ARG A 4 -20.744 6.693 41.443 1.00 47.42 -0.235 N ATOM 40 1HH1 ARG A 4 -21.308 6.799 42.286 1.00 0.00 0.174 HD ATOM 41 2HH1 ARG A 4 -19.804 6.301 41.502 1.00 0.00 0.174 HD ATOM 42 NH2 ARG A 4 -20.502 6.930 39.173 1.00 49.36 -0.235 N ATOM 43 1HH2 ARG A 4 -20.880 7.219 38.271 1.00 0.00 0.174 HD ATOM 44 2HH2 ARG A 4 -19.562 6.538 39.232 1.00 0.00 0.174 HD ATOM 45 N LYS A 5 -25.636 8.362 45.227 1.00 34.78 -0.346 N ATOM 46 HN LYS A 5 -24.907 7.677 45.028 1.00 0.00 0.163 HD ATOM 47 CA LYS A 5 -25.667 9.020 46.528 1.00 36.92 0.176 C ATOM 48 C LYS A 5 -25.399 10.504 46.317 1.00 32.31 0.241 C ATOM 49 O LYS A 5 -24.261 10.908 46.053 1.00 37.11 -0.271 OA ATOM 50 CB LYS A 5 -24.643 8.396 47.471 1.00 39.24 0.035 C ATOM 51 CG LYS A 5 -25.062 8.413 48.934 1.00 39.96 0.004 C ATOM 52 CD LYS A 5 -24.326 7.353 49.740 1.00 43.24 0.027 C ATOM 53 CE LYS A 5 -24.965 5.984 49.571 1.00 48.83 0.229 C ATOM 54 NZ LYS A 5 -24.162 4.914 50.226 1.00 58.11 -0.079 N ATOM 55 HZ1 LYS A 5 -24.591 3.995 50.113 1.00 0.00 0.274 HD ATOM 56 HZ2 LYS A 5 -23.993 5.126 51.209 1.00 0.00 0.274 HD ATOM 57 HZ3 LYS A 5 -23.198 4.917 49.894 1.00 0.00 0.274 HD ATOM 58 N MET A 6 -26.446 11.316 46.414 1.00 25.57 -0.346 N ATOM 59 HN MET A 6 -27.321 10.941 46.779 1.00 0.00 0.163 HD ATOM 60 CA MET A 6 -26.400 12.716 46.023 1.00 36.94 0.177 C ATOM 61 C MET A 6 -26.467 13.607 47.255 1.00 30.91 0.241 C ATOM 62 O MET A 6 -27.368 13.459 48.088 1.00 28.98 -0.271 OA ATOM 63 CB MET A 6 -27.548 13.047 45.068 1.00 32.35 0.045 C ATOM 64 CG MET A 6 -27.370 14.341 44.297 1.00 41.91 0.076 C ATOM 65 SD MET A 6 -28.586 14.521 42.977 1.00 50.06 -0.173 SA ATOM 66 CE MET A 6 -28.245 13.061 41.999 1.00 42.04 0.089 C ATOM 67 N ALA A 7 -25.516 14.525 47.363 1.00 24.70 -0.346 N ATOM 68 HN ALA A 7 -24.764 14.529 46.674 1.00 0.00 0.163 HD ATOM 69 CA ALA A 7 -25.496 15.526 48.417 1.00 31.84 0.172 C ATOM 70 C ALA A 7 -26.118 16.824 47.917 1.00 39.13 0.240 C ATOM 71 O ALA A 7 -26.143 17.108 46.717 1.00 30.67 -0.271 OA ATOM 72 CB ALA A 7 -24.065 15.781 48.898 1.00 31.91 0.042 C ATOM 73 N PHE A 8 -26.629 17.612 48.859 1.00 35.53 -0.346 N ATOM 74 HN PHE A 8 -26.632 17.303 49.831 1.00 0.00 0.163 HD ATOM 75 CA PHE A 8 -27.182 18.909 48.513 1.00 34.19 0.181 C ATOM 76 C PHE A 8 -26.060 19.874 48.132 1.00 35.86 0.243 C ATOM 77 O PHE A 8 -24.929 19.740 48.607 1.00 37.71 -0.271 OA ATOM 78 CB PHE A 8 -27.983 19.479 49.680 1.00 31.88 0.073 C ATOM 79 CG PHE A 8 -29.339 18.855 49.850 1.00 34.04 -0.056 A ATOM 80 CD1 PHE A 8 -30.396 19.234 49.041 1.00 37.68 0.007 A ATOM 81 CD2 PHE A 8 -29.557 17.893 50.822 1.00 32.78 0.007 A ATOM 82 CE1 PHE A 8 -31.646 18.663 49.196 1.00 38.75 0.001 A ATOM 83 CE2 PHE A 8 -30.804 17.319 50.982 1.00 35.47 0.001 A ATOM 84 CZ PHE A 8 -31.849 17.705 50.168 1.00 40.42 0.000 A ATOM 85 N PRO A 9 -26.342 20.843 47.261 1.00 35.98 -0.337 N ATOM 86 CA PRO A 9 -25.340 21.872 46.956 1.00 37.27 0.179 C ATOM 87 C PRO A 9 -24.923 22.612 48.219 1.00 33.84 0.241 C ATOM 88 O PRO A 9 -25.761 23.012 49.030 1.00 38.14 -0.271 OA ATOM 89 CB PRO A 9 -26.066 22.790 45.966 1.00 38.03 0.037 C ATOM 90 CG PRO A 9 -27.105 21.918 45.343 1.00 42.20 0.022 C ATOM 91 CD PRO A 9 -27.551 20.986 46.433 1.00 40.32 0.127 C ATOM 92 N SER A 10 -23.613 22.787 48.383 1.00 35.35 -0.344 N ATOM 93 HN SER A 10 -22.989 22.568 47.607 1.00 0.00 0.163 HD ATOM 94 CA SER A 10 -23.037 23.278 49.626 1.00 38.41 0.200 C ATOM 95 C SER A 10 -22.730 24.770 49.600 1.00 37.76 0.242 C ATOM 96 O SER A 10 -22.106 25.275 50.538 1.00 34.95 -0.271 OA ATOM 97 CB SER A 10 -21.762 22.498 49.953 1.00 33.59 0.199 C ATOM 98 OG SER A 10 -20.780 22.691 48.950 1.00 36.17 -0.398 OA ATOM 99 HG SER A 10 -19.988 22.207 49.153 1.00 0.00 0.209 HD ATOM 100 N GLY A 11 -23.156 25.485 48.556 1.00 41.13 -0.350 N ATOM 101 HN GLY A 11 -23.731 25.044 47.838 1.00 0.00 0.163 HD ATOM 102 CA GLY A 11 -22.802 26.892 48.440 1.00 38.60 0.225 C ATOM 103 C GLY A 11 -23.316 27.735 49.592 1.00 38.39 0.236 C ATOM 104 O GLY A 11 -22.598 28.590 50.117 1.00 46.36 -0.272 OA ATOM 105 N LYS A 12 -24.564 27.505 50.005 1.00 38.09 -0.346 N ATOM 106 HN LYS A 12 -25.116 26.771 49.561 1.00 0.00 0.163 HD ATOM 107 CA LYS A 12 -25.146 28.293 51.086 1.00 36.59 0.176 C ATOM 108 C LYS A 12 -24.552 27.946 52.445 1.00 39.48 0.241 C ATOM 109 O LYS A 12 -24.652 28.754 53.375 1.00 40.17 -0.271 OA ATOM 110 CB LYS A 12 -26.663 28.106 51.107 1.00 42.83 0.035 C ATOM 111 CG LYS A 12 -27.354 28.626 49.856 1.00 42.78 0.004 C ATOM 112 CD LYS A 12 -28.638 27.867 49.562 1.00 57.42 0.027 C ATOM 113 CE LYS A 12 -29.857 28.610 50.085 1.00 57.45 0.229 C ATOM 114 NZ LYS A 12 -30.058 28.392 51.544 1.00 55.48 -0.079 N ATOM 115 HZ1 LYS A 12 -30.876 28.890 51.895 1.00 0.00 0.274 HD ATOM 116 HZ2 LYS A 12 -29.221 28.635 52.074 1.00 0.00 0.274 HD ATOM 117 HZ3 LYS A 12 -30.106 27.398 51.767 1.00 0.00 0.274 HD ATOM 118 N VAL A 13 -23.940 26.773 52.582 1.00 38.78 -0.346 N ATOM 119 HN VAL A 13 -23.944 26.110 51.807 1.00 0.00 0.163 HD ATOM 120 CA VAL A 13 -23.264 26.421 53.825 1.00 36.52 0.180 C ATOM 121 C VAL A 13 -21.793 26.832 53.796 1.00 35.77 0.241 C ATOM 122 O VAL A 13 -21.223 27.157 54.843 1.00 39.87 -0.271 OA ATOM 123 CB VAL A 13 -23.418 24.915 54.103 1.00 33.81 0.009 C ATOM 124 CG1 VAL A 13 -22.767 24.538 55.426 1.00 35.72 0.012 C ATOM 125 CG2 VAL A 13 -24.889 24.527 54.104 1.00 33.49 0.012 C ATOM 126 N GLU A 14 -21.172 26.840 52.613 1.00 31.88 -0.346 N ATOM 127 HN GLU A 14 -21.684 26.568 51.774 1.00 0.00 0.163 HD ATOM 128 CA GLU A 14 -19.769 27.233 52.505 1.00 38.31 0.177 C ATOM 129 C GLU A 14 -19.544 28.649 53.024 1.00 39.80 0.240 C ATOM 130 O GLU A 14 -18.514 28.932 53.648 1.00 36.53 -0.271 OA ATOM 131 CB GLU A 14 -19.305 27.122 51.052 1.00 41.13 0.045 C ATOM 132 CG GLU A 14 -18.957 25.712 50.607 1.00 41.37 0.116 C ATOM 133 CD GLU A 14 -18.897 25.579 49.098 1.00 41.45 0.172 C ATOM 134 OE1 GLU A 14 -19.869 25.067 48.504 1.00 37.79 -0.648 OA ATOM 135 OE2 GLU A 14 -17.877 25.989 48.505 1.00 40.99 -0.648 OA ATOM 136 N GLY A 15 -20.495 29.549 52.781 1.00 34.24 -0.351 N ATOM 137 HN GLY A 15 -21.336 29.262 52.281 1.00 0.00 0.163 HD ATOM 138 CA GLY A 15 -20.362 30.928 53.211 1.00 40.10 0.225 C ATOM 139 C GLY A 15 -20.501 31.162 54.700 1.00 43.58 0.236 C ATOM 140 O GLY A 15 -20.387 32.309 55.140 1.00 42.28 -0.272 OA ATOM 141 N CYS A 16 -20.739 30.114 55.488 1.00 36.43 -0.346 N ATOM 142 HN CYS A 16 -20.799 29.187 55.067 1.00 0.00 0.163 HD ATOM 143 CA CYS A 16 -20.917 30.244 56.927 1.00 35.87 0.186 C ATOM 144 C CYS A 16 -19.815 29.573 57.732 1.00 33.79 0.241 C ATOM 145 O CYS A 16 -19.841 29.644 58.965 1.00 36.56 -0.271 OA ATOM 146 CB CYS A 16 -22.275 29.667 57.345 1.00 36.64 0.120 C ATOM 147 SG CYS A 16 -23.654 30.190 56.312 1.00 50.68 -0.095 SA ATOM 148 N MET A 17 -18.852 28.928 57.079 1.00 30.44 -0.346 N ATOM 149 HN MET A 17 -18.851 28.929 56.059 1.00 0.00 0.163 HD ATOM 150 CA MET A 17 -17.799 28.220 57.794 1.00 32.33 0.177 C ATOM 151 C MET A 17 -16.675 29.177 58.171 1.00 39.30 0.241 C ATOM 152 O MET A 17 -16.188 29.942 57.332 1.00 39.57 -0.271 OA ATOM 153 CB MET A 17 -17.256 27.071 56.946 1.00 35.47 0.045 C ATOM 154 CG MET A 17 -18.289 26.004 56.621 1.00 34.34 0.076 C ATOM 155 SD MET A 17 -19.267 25.517 58.058 1.00 44.04 -0.173 SA ATOM 156 CE MET A 17 -17.998 24.861 59.141 1.00 32.95 0.089 C ATOM 157 N VAL A 18 -16.269 29.134 59.440 1.00 30.96 -0.346 N ATOM 158 HN VAL A 18 -16.745 28.499 60.081 1.00 0.00 0.163 HD ATOM 159 CA VAL A 18 -15.179 29.950 59.953 1.00 35.69 0.180 C ATOM 160 C VAL A 18 -14.221 29.049 60.721 1.00 36.49 0.241 C ATOM 161 O VAL A 18 -14.511 27.885 60.999 1.00 32.93 -0.271 OA ATOM 162 CB VAL A 18 -15.676 31.100 60.854 1.00 33.25 0.009 C ATOM 163 CG1 VAL A 18 -16.514 32.083 60.052 1.00 34.40 0.012 C ATOM 164 CG2 VAL A 18 -16.465 30.548 62.031 1.00 32.86 0.012 C ATOM 165 N GLN A 19 -13.064 29.608 61.058 1.00 35.39 -0.346 N ATOM 166 HN GLN A 19 -12.873 30.560 60.744 1.00 0.00 0.163 HD ATOM 167 CA GLN A 19 -12.057 28.923 61.855 1.00 36.84 0.177 C ATOM 168 C GLN A 19 -12.040 29.523 63.253 1.00 40.23 0.241 C ATOM 169 O GLN A 19 -11.925 30.743 63.408 1.00 37.54 -0.271 OA ATOM 170 CB GLN A 19 -10.673 29.035 61.211 1.00 40.75 0.044 C ATOM 171 CG GLN A 19 -9.561 28.393 62.024 1.00 44.72 0.105 C ATOM 172 CD GLN A 19 -8.189 28.636 61.429 1.00 52.55 0.215 C ATOM 173 OE1 GLN A 19 -7.581 27.734 60.852 1.00 53.65 -0.274 OA ATOM 174 NE2 GLN A 19 -7.693 29.860 61.566 1.00 57.38 -0.370 N ATOM 175 1HE2 GLN A 19 -8.197 30.607 62.044 1.00 0.00 0.159 HD ATOM 176 2HE2 GLN A 19 -6.769 30.024 61.165 1.00 0.00 0.159 HD ATOM 177 N VAL A 20 -12.162 28.667 64.263 1.00 37.22 -0.346 N ATOM 178 HN VAL A 20 -12.248 27.673 64.050 1.00 0.00 0.163 HD ATOM 179 CA VAL A 20 -12.179 29.083 65.661 1.00 37.75 0.180 C ATOM 180 C VAL A 20 -10.928 28.533 66.329 1.00 39.41 0.241 C ATOM 181 O VAL A 20 -10.678 27.322 66.294 1.00 40.62 -0.271 OA ATOM 182 CB VAL A 20 -13.447 28.601 66.381 1.00 35.93 0.009 C ATOM 183 CG1 VAL A 20 -13.469 29.112 67.814 1.00 35.66 0.012 C ATOM 184 CG2 VAL A 20 -14.688 29.051 65.627 1.00 29.32 0.012 C ATOM 185 N THR A 21 -10.144 29.419 66.937 1.00 42.33 -0.344 N ATOM 186 HN THR A 21 -10.417 30.402 66.925 1.00 0.00 0.163 HD ATOM 187 CA THR A 21 -8.913 29.045 67.619 1.00 39.43 0.205 C ATOM 188 C THR A 21 -8.969 29.519 69.064 1.00 42.16 0.243 C ATOM 189 O THR A 21 -9.258 30.691 69.327 1.00 39.79 -0.271 OA ATOM 190 CB THR A 21 -7.684 29.636 66.921 1.00 43.87 0.146 C ATOM 191 OG1 THR A 21 -7.653 29.201 65.555 1.00 49.18 -0.393 OA ATOM 192 HG1 THR A 21 -6.891 29.567 65.122 1.00 0.00 0.210 HD ATOM 193 CG2 THR A 21 -6.406 29.187 67.616 1.00 46.67 0.042 C ATOM 194 N CYS A 22 -8.699 28.605 69.992 1.00 46.16 -0.345 N ATOM 195 HN CYS A 22 -8.560 27.639 69.695 1.00 0.00 0.163 HD ATOM 196 CA CYS A 22 -8.591 28.916 71.416 1.00 42.65 0.186 C ATOM 197 C CYS A 22 -7.289 28.291 71.905 1.00 47.48 0.241 C ATOM 198 O CYS A 22 -7.209 27.073 72.087 1.00 47.27 -0.271 OA ATOM 199 CB CYS A 22 -9.794 28.394 72.196 1.00 35.21 0.120 C ATOM 200 SG CYS A 22 -9.850 28.921 73.924 1.00 57.47 -0.095 SA ATOM 201 N GLY A 23 -6.271 29.123 72.106 1.00 43.57 -0.351 N ATOM 202 HN GLY A 23 -6.422 30.128 72.023 1.00 0.00 0.163 HD ATOM 203 CA GLY A 23 -4.951 28.628 72.441 1.00 48.54 0.225 C ATOM 204 C GLY A 23 -4.291 27.961 71.253 1.00 48.65 0.236 C ATOM 205 O GLY A 23 -4.089 28.592 70.211 1.00 58.32 -0.272 OA ATOM 206 N THR A 24 -3.956 26.681 71.392 1.00 46.27 -0.344 N ATOM 207 HN THR A 24 -4.092 26.231 72.297 1.00 0.00 0.163 HD ATOM 208 CA THR A 24 -3.402 25.902 70.294 1.00 54.16 0.205 C ATOM 209 C THR A 24 -4.429 24.989 69.640 1.00 51.12 0.243 C ATOM 210 O THR A 24 -4.066 24.193 68.768 1.00 57.86 -0.271 OA ATOM 211 CB THR A 24 -2.213 25.067 70.778 1.00 52.71 0.146 C ATOM 212 OG1 THR A 24 -2.574 24.354 71.966 1.00 57.38 -0.393 OA ATOM 213 HG1 THR A 24 -1.836 23.836 72.266 1.00 0.00 0.210 HD ATOM 214 CG2 THR A 24 -1.016 25.962 71.073 1.00 54.72 0.042 C ATOM 215 N THR A 25 -5.695 25.080 70.036 1.00 50.73 -0.344 N ATOM 216 HN THR A 25 -5.936 25.757 70.760 1.00 0.00 0.163 HD ATOM 217 CA THR A 25 -6.750 24.247 69.473 1.00 48.80 0.205 C ATOM 218 C THR A 25 -7.468 25.013 68.371 1.00 45.57 0.243 C ATOM 219 O THR A 25 -7.907 26.147 68.585 1.00 42.11 -0.271 OA ATOM 220 CB THR A 25 -7.747 23.818 70.551 1.00 45.82 0.146 C ATOM 221 OG1 THR A 25 -7.040 23.274 71.673 1.00 52.62 -0.393 OA ATOM 222 HG1 THR A 25 -7.659 23.008 72.342 1.00 0.00 0.210 HD ATOM 223 CG2 THR A 25 -8.709 22.779 70.002 1.00 44.98 0.042 C ATOM 224 N THR A 26 -7.589 24.392 67.200 1.00 46.56 -0.344 N ATOM 225 HN THR A 26 -7.227 23.444 67.100 1.00 0.00 0.163 HD ATOM 226 CA THR A 26 -8.224 25.031 66.060 1.00 43.98 0.205 C ATOM 227 C THR A 26 -9.218 24.075 65.426 1.00 39.56 0.243 C ATOM 228 O THR A 26 -8.883 22.919 65.137 1.00 42.53 -0.271 OA ATOM 229 CB THR A 26 -7.184 25.490 65.034 1.00 45.90 0.146 C ATOM 230 OG1 THR A 26 -7.836 25.859 63.814 1.00 50.51 -0.393 OA ATOM 231 HG1 THR A 26 -7.191 26.144 63.177 1.00 0.00 0.210 HD ATOM 232 CG2 THR A 26 -6.155 24.392 64.757 1.00 47.20 0.042 C ATOM 233 N LEU A 27 -10.433 24.568 65.192 1.00 36.95 -0.346 N ATOM 234 HN LEU A 27 -10.643 25.527 65.469 1.00 0.00 0.163 HD ATOM 235 CA LEU A 27 -11.471 23.771 64.549 1.00 37.04 0.177 C ATOM 236 C LEU A 27 -12.390 24.710 63.786 1.00 38.51 0.241 C ATOM 237 O LEU A 27 -12.154 25.920 63.720 1.00 29.66 -0.271 OA ATOM 238 CB LEU A 27 -12.225 22.902 65.570 1.00 37.70 0.038 C ATOM 239 CG LEU A 27 -12.639 23.447 66.937 1.00 36.32 -0.020 C ATOM 240 CD1 LEU A 27 -13.847 24.364 66.831 1.00 32.79 0.009 C ATOM 241 CD2 LEU A 27 -12.936 22.285 67.873 1.00 31.17 0.009 C ATOM 242 N ASN A 28 -13.448 24.141 63.222 1.00 30.29 -0.346 N ATOM 243 HN ASN A 28 -13.618 23.149 63.387 1.00 0.00 0.163 HD ATOM 244 CA ASN A 28 -14.372 24.876 62.380 1.00 32.66 0.185 C ATOM 245 C ASN A 28 -15.551 25.393 63.193 1.00 27.62 0.241 C ATOM 246 O ASN A 28 -15.959 24.793 64.189 1.00 31.18 -0.271 OA ATOM 247 CB ASN A 28 -14.877 23.989 61.240 1.00 30.89 0.137 C ATOM 248 CG ASN A 28 -13.749 23.365 60.446 1.00 32.19 0.217 C ATOM 249 OD1 ASN A 28 -13.172 24.000 59.565 1.00 33.71 -0.274 OA ATOM 250 ND2 ASN A 28 -13.426 22.114 60.755 1.00 35.87 -0.370 N ATOM 251 1HD2 ASN A 28 -12.666 21.694 60.220 1.00 0.00 0.159 HD ATOM 252 2HD2 ASN A 28 -13.905 21.587 61.486 1.00 0.00 0.159 HD ATOM 253 N GLY A 29 -16.098 26.525 62.749 1.00 28.97 -0.351 N ATOM 254 HN GLY A 29 -15.681 26.999 61.948 1.00 0.00 0.163 HD ATOM 255 CA GLY A 29 -17.267 27.095 63.375 1.00 29.43 0.225 C ATOM 256 C GLY A 29 -18.309 27.457 62.335 1.00 29.30 0.236 C ATOM 257 O GLY A 29 -18.006 27.655 61.159 1.00 30.37 -0.272 OA ATOM 258 N LEU A 30 -19.555 27.536 62.795 1.00 30.94 -0.346 N ATOM 259 HN LEU A 30 -19.723 27.346 63.783 1.00 0.00 0.163 HD ATOM 260 CA LEU A 30 -20.692 27.883 61.949 1.00 31.77 0.177 C ATOM 261 C LEU A 30 -21.108 29.312 62.273 1.00 31.91 0.241 C ATOM 262 O LEU A 30 -21.612 29.586 63.367 1.00 32.56 -0.271 OA ATOM 263 CB LEU A 30 -21.848 26.907 62.161 1.00 31.92 0.038 C ATOM 264 CG LEU A 30 -22.986 26.989 61.143 1.00 31.71 -0.020 C ATOM 265 CD1 LEU A 30 -22.489 26.629 59.750 1.00 32.72 0.009 C ATOM 266 CD2 LEU A 30 -24.140 26.089 61.552 1.00 30.45 0.009 C ATOM 267 N TRP A 31 -20.902 30.218 61.319 1.00 33.46 -0.346 N ATOM 268 HN TRP A 31 -20.543 29.902 60.418 1.00 0.00 0.163 HD ATOM 269 CA TRP A 31 -21.166 31.644 61.503 1.00 31.27 0.181 C ATOM 270 C TRP A 31 -22.534 31.965 60.907 1.00 34.76 0.241 C ATOM 271 O TRP A 31 -22.679 32.092 59.688 1.00 31.78 -0.271 OA ATOM 272 CB TRP A 31 -20.062 32.478 60.860 1.00 34.28 0.075 C ATOM 273 CG TRP A 31 -20.199 33.957 61.074 1.00 38.48 -0.028 A ATOM 274 CD1 TRP A 31 -20.963 34.587 62.015 1.00 35.41 0.096 A ATOM 275 CD2 TRP A 31 -19.548 34.993 60.329 1.00 37.93 -0.002 A ATOM 276 NE1 TRP A 31 -20.829 35.949 61.899 1.00 38.91 -0.365 N ATOM 277 HE1 TRP A 31 -21.296 36.643 62.483 1.00 0.00 0.165 HD ATOM 278 CE2 TRP A 31 -19.965 36.225 60.871 1.00 41.14 0.042 A ATOM 279 CE3 TRP A 31 -18.654 34.998 59.254 1.00 40.41 0.014 A ATOM 280 CZ2 TRP A 31 -19.519 37.448 60.376 1.00 40.49 0.030 A ATOM 281 CZ3 TRP A 31 -18.212 36.214 58.763 1.00 47.09 0.001 A ATOM 282 CH2 TRP A 31 -18.645 37.421 59.324 1.00 42.02 0.002 A ATOM 283 N LEU A 32 -23.535 32.098 61.773 1.00 29.78 -0.346 N ATOM 284 HN LEU A 32 -23.344 31.942 62.763 1.00 0.00 0.163 HD ATOM 285 CA LEU A 32 -24.892 32.456 61.377 1.00 31.50 0.177 C ATOM 286 C LEU A 32 -25.290 33.722 62.120 1.00 39.34 0.241 C ATOM 287 O LEU A 32 -25.246 33.758 63.355 1.00 36.42 -0.271 OA ATOM 288 CB LEU A 32 -25.874 31.323 61.679 1.00 38.19 0.038 C ATOM 289 CG LEU A 32 -25.647 30.004 60.938 1.00 34.57 -0.020 C ATOM 290 CD1 LEU A 32 -26.558 28.924 61.493 1.00 33.34 0.009 C ATOM 291 CD2 LEU A 32 -25.868 30.181 59.445 1.00 32.67 0.009 C ATOM 292 N ASP A 33 -25.681 34.750 61.369 1.00 39.86 -0.346 N ATOM 293 HN ASP A 33 -25.763 34.610 60.362 1.00 0.00 0.163 HD ATOM 294 CA ASP A 33 -26.000 36.076 61.916 1.00 40.96 0.186 C ATOM 295 C ASP A 33 -24.764 36.546 62.682 1.00 39.17 0.241 C ATOM 296 O ASP A 33 -23.659 36.526 62.117 1.00 41.90 -0.271 OA ATOM 297 CB ASP A 33 -27.293 36.008 62.721 1.00 41.67 0.147 C ATOM 298 CG ASP A 33 -28.466 35.509 61.898 1.00 50.38 0.175 C ATOM 299 OD1 ASP A 33 -28.621 35.962 60.745 1.00 52.37 -0.648 OA ATOM 300 OD2 ASP A 33 -29.231 34.661 62.404 1.00 53.30 -0.648 OA ATOM 301 N ASP A 34 -24.885 36.953 63.945 1.00 36.41 -0.345 N ATOM 302 HN ASP A 34 -25.810 36.944 64.376 1.00 0.00 0.163 HD ATOM 303 CA ASP A 34 -23.749 37.410 64.736 1.00 40.57 0.186 C ATOM 304 C ASP A 34 -23.337 36.386 65.790 1.00 40.01 0.241 C ATOM 305 O ASP A 34 -22.807 36.750 66.843 1.00 37.93 -0.271 OA ATOM 306 CB ASP A 34 -24.063 38.754 65.393 1.00 42.76 0.147 C ATOM 307 CG ASP A 34 -25.304 38.701 66.263 1.00 51.09 0.175 C ATOM 308 OD1 ASP A 34 -26.354 38.231 65.777 1.00 57.36 -0.648 OA ATOM 309 OD2 ASP A 34 -25.229 39.131 67.434 1.00 52.82 -0.648 OA ATOM 310 N VAL A 35 -23.574 35.103 65.523 1.00 35.15 -0.346 N ATOM 311 HN VAL A 35 -24.006 34.862 64.631 1.00 0.00 0.163 HD ATOM 312 CA VAL A 35 -23.243 34.028 66.449 1.00 34.04 0.180 C ATOM 313 C VAL A 35 -22.415 32.985 65.712 1.00 35.49 0.241 C ATOM 314 O VAL A 35 -22.720 32.631 64.568 1.00 32.04 -0.271 OA ATOM 315 CB VAL A 35 -24.510 33.385 67.055 1.00 33.33 0.009 C ATOM 316 CG1 VAL A 35 -24.134 32.278 68.031 1.00 31.88 0.012 C ATOM 317 CG2 VAL A 35 -25.366 34.437 67.745 1.00 32.07 0.012 C ATOM 318 N VAL A 36 -21.366 32.496 66.369 1.00 31.67 -0.346 N ATOM 319 HN VAL A 36 -21.150 32.877 67.290 1.00 0.00 0.163 HD ATOM 320 CA VAL A 36 -20.511 31.442 65.835 1.00 34.48 0.180 C ATOM 321 C VAL A 36 -20.680 30.210 66.712 1.00 34.24 0.241 C ATOM 322 O VAL A 36 -20.465 30.269 67.929 1.00 34.29 -0.271 OA ATOM 323 CB VAL A 36 -19.039 31.878 65.775 1.00 31.91 0.009 C ATOM 324 CG1 VAL A 36 -18.153 30.695 65.414 1.00 30.09 0.012 C ATOM 325 CG2 VAL A 36 -18.862 33.006 64.773 1.00 31.39 0.012 C ATOM 326 N TYR A 37 -21.067 29.096 66.097 1.00 30.91 -0.346 N ATOM 327 HN TYR A 37 -21.235 29.127 65.091 1.00 0.00 0.163 HD ATOM 328 CA TYR A 37 -21.262 27.834 66.796 1.00 25.81 0.180 C ATOM 329 C TYR A 37 -20.089 26.911 66.499 1.00 33.31 0.241 C ATOM 330 O TYR A 37 -19.680 26.776 65.342 1.00 33.64 -0.271 OA ATOM 331 CB TYR A 37 -22.573 27.166 66.374 1.00 31.93 0.073 C ATOM 332 CG TYR A 37 -23.799 28.049 66.479 1.00 28.04 -0.056 A ATOM 333 CD1 TYR A 37 -24.106 28.970 65.485 1.00 30.82 0.010 A ATOM 334 CD2 TYR A 37 -24.657 27.951 67.567 1.00 29.93 0.010 A ATOM 335 CE1 TYR A 37 -25.225 29.775 65.576 1.00 24.79 0.037 A ATOM 336 CE2 TYR A 37 -25.780 28.750 67.665 1.00 28.93 0.037 A ATOM 337 CZ TYR A 37 -26.059 29.660 66.667 1.00 30.20 0.065 A ATOM 338 OH TYR A 37 -27.174 30.458 66.762 1.00 32.62 -0.361 OA ATOM 339 HH TYR A 37 -27.366 31.085 66.075 1.00 0.00 0.217 HD ATOM 340 N CYS A 38 -19.555 26.277 67.537 1.00 28.03 -0.345 N ATOM 341 HN CYS A 38 -19.952 26.422 68.466 1.00 0.00 0.163 HD ATOM 342 CA CYS A 38 -18.419 25.382 67.383 1.00 29.55 0.186 C ATOM 343 C CYS A 38 -18.436 24.379 68.527 1.00 30.64 0.244 C ATOM 344 O CYS A 38 -19.055 24.631 69.566 1.00 29.00 -0.271 OA ATOM 345 CB CYS A 38 -17.094 26.158 67.362 1.00 33.99 0.120 C ATOM 346 SG CYS A 38 -16.612 26.882 68.946 1.00 39.36 -0.095 SA ATOM 347 N PRO A 39 -17.786 23.226 68.357 1.00 28.03 -0.337 N ATOM 348 CA PRO A 39 -17.701 22.266 69.465 1.00 30.12 0.179 C ATOM 349 C PRO A 39 -16.998 22.878 70.667 1.00 30.67 0.241 C ATOM 350 O PRO A 39 -16.035 23.635 70.530 1.00 33.30 -0.271 OA ATOM 351 CB PRO A 39 -16.894 21.107 68.869 1.00 27.83 0.037 C ATOM 352 CG PRO A 39 -17.094 21.224 67.394 1.00 32.19 0.022 C ATOM 353 CD PRO A 39 -17.189 22.695 67.120 1.00 32.72 0.127 C ATOM 354 N ARG A 40 -17.494 22.542 71.859 1.00 30.74 -0.346 N ATOM 355 HN ARG A 40 -18.237 21.846 71.917 1.00 0.00 0.163 HD ATOM 356 CA ARG A 40 -16.988 23.157 73.078 1.00 37.68 0.176 C ATOM 357 C ARG A 40 -15.606 22.656 73.474 1.00 35.98 0.241 C ATOM 358 O ARG A 40 -14.947 23.300 74.296 1.00 38.97 -0.271 OA ATOM 359 CB ARG A 40 -17.967 22.928 74.233 1.00 36.25 0.036 C ATOM 360 CG ARG A 40 -18.007 21.502 74.755 1.00 35.21 0.023 C ATOM 361 CD ARG A 40 -18.840 21.416 76.025 1.00 38.69 0.138 C ATOM 362 NE ARG A 40 -19.094 20.034 76.424 1.00 38.85 -0.227 N ATOM 363 HE ARG A 40 -18.710 19.290 75.841 1.00 0.00 0.177 HD ATOM 364 CZ ARG A 40 -19.794 19.685 77.498 1.00 36.84 0.665 C ATOM 365 NH1 ARG A 40 -20.308 20.617 78.289 1.00 37.14 -0.235 N ATOM 366 1HH1 ARG A 40 -20.169 21.603 78.068 1.00 0.00 0.174 HD ATOM 367 2HH1 ARG A 40 -20.845 20.349 79.114 1.00 0.00 0.174 HD ATOM 368 NH2 ARG A 40 -19.975 18.403 77.785 1.00 35.64 -0.235 N ATOM 369 1HH2 ARG A 40 -19.580 17.686 77.177 1.00 0.00 0.174 HD ATOM 370 2HH2 ARG A 40 -20.512 18.135 78.610 1.00 0.00 0.174 HD ATOM 371 N HIS A 41 -15.145 21.538 72.916 1.00 35.84 -0.346 N ATOM 372 HN HIS A 41 -15.720 21.031 72.243 1.00 0.00 0.163 HD ATOM 373 CA HIS A 41 -13.820 21.037 73.265 1.00 38.89 0.182 C ATOM 374 C HIS A 41 -12.697 21.814 72.589 1.00 37.13 0.241 C ATOM 375 O HIS A 41 -11.539 21.391 72.668 1.00 39.19 -0.271 OA ATOM 376 CB HIS A 41 -13.705 19.545 72.937 1.00 42.38 0.093 C ATOM 377 CG HIS A 41 -13.826 19.231 71.479 1.00 37.90 0.028 A ATOM 378 ND1 HIS A 41 -14.947 18.638 70.939 1.00 36.57 -0.354 N ATOM 379 HD1 HIS A 41 -15.780 18.366 71.461 1.00 0.00 0.166 HD ATOM 380 CD2 HIS A 41 -12.964 19.414 70.451 1.00 37.33 0.114 A ATOM 381 CE1 HIS A 41 -14.774 18.477 69.640 1.00 41.55 0.180 A ATOM 382 NE2 HIS A 41 -13.579 18.940 69.318 1.00 41.88 -0.360 N ATOM 383 HE2 HIS A 41 -13.178 18.945 68.380 1.00 0.00 0.166 HD ATOM 384 N VAL A 42 -13.011 22.932 71.930 1.00 35.20 -0.346 N ATOM 385 HN VAL A 42 -13.991 23.163 71.770 1.00 0.00 0.163 HD ATOM 386 CA VAL A 42 -11.972 23.826 71.436 1.00 39.75 0.180 C ATOM 387 C VAL A 42 -11.252 24.518 72.587 1.00 40.51 0.241 C ATOM 388 O VAL A 42 -10.132 25.010 72.411 1.00 45.18 -0.271 OA ATOM 389 CB VAL A 42 -12.576 24.854 70.458 1.00 34.88 0.009 C ATOM 390 CG1 VAL A 42 -13.447 25.854 71.200 1.00 28.67 0.012 C ATOM 391 CG2 VAL A 42 -11.482 25.565 69.669 1.00 37.02 0.012 C ATOM 392 N ILE A 43 -11.866 24.557 73.776 1.00 39.40 -0.346 N ATOM 393 HN ILE A 43 -12.799 24.155 73.867 1.00 0.00 0.163 HD ATOM 394 CA ILE A 43 -11.235 25.160 74.945 1.00 45.41 0.180 C ATOM 395 C ILE A 43 -10.322 24.190 75.681 1.00 44.13 0.241 C ATOM 396 O ILE A 43 -9.723 24.569 76.697 1.00 53.91 -0.271 OA ATOM 397 CB ILE A 43 -12.293 25.705 75.927 1.00 38.96 0.013 C ATOM 398 CG1 ILE A 43 -13.044 24.551 76.594 1.00 39.31 0.002 C ATOM 399 CG2 ILE A 43 -13.257 26.636 75.211 1.00 39.80 0.012 C ATOM 400 CD1 ILE A 43 -14.181 24.995 77.490 1.00 37.22 0.005 C ATOM 401 N CYS A 44 -10.196 22.955 75.208 1.00 49.20 -0.345 N ATOM 402 HN CYS A 44 -10.708 22.699 74.364 1.00 0.00 0.163 HD ATOM 403 CA CYS A 44 -9.356 21.954 75.847 1.00 50.36 0.186 C ATOM 404 C CYS A 44 -8.022 21.818 75.124 1.00 56.74 0.242 C ATOM 405 O CYS A 44 -7.859 22.241 73.976 1.00 54.23 -0.271 OA ATOM 406 CB CYS A 44 -10.057 20.592 75.883 1.00 52.03 0.120 C ATOM 407 SG CYS A 44 -11.790 20.639 76.366 1.00 57.89 -0.095 SA ATOM 408 N THR A 45 -7.064 21.219 75.820 1.00 61.24 -0.344 N ATOM 409 HN THR A 45 -7.235 21.025 76.807 1.00 0.00 0.163 HD ATOM 410 CA THR A 45 -5.783 20.824 75.253 1.00 65.40 0.205 C ATOM 411 C THR A 45 -5.623 19.313 75.424 1.00 65.43 0.243 C ATOM 412 O THR A 45 -6.547 18.617 75.855 1.00 65.90 -0.271 OA ATOM 413 CB THR A 45 -4.635 21.607 75.896 1.00 69.65 0.146 C ATOM 414 OG1 THR A 45 -3.438 21.416 75.131 1.00 75.39 -0.393 OA ATOM 415 HG1 THR A 45 -2.726 21.902 75.530 1.00 0.00 0.210 HD ATOM 416 CG2 THR A 45 -4.399 21.145 77.328 1.00 66.61 0.042 C ATOM 417 N SER A 46 -4.437 18.804 75.082 1.00 68.52 -0.344 N ATOM 418 HN SER A 46 -3.676 19.427 74.810 1.00 0.00 0.163 HD ATOM 419 CA SER A 46 -4.225 17.360 75.096 1.00 68.51 0.200 C ATOM 420 C SER A 46 -4.359 16.773 76.496 1.00 69.36 0.243 C ATOM 421 O SER A 46 -4.830 15.640 76.649 1.00 71.42 -0.271 OA ATOM 422 CB SER A 46 -2.855 17.028 74.504 1.00 67.95 0.199 C ATOM 423 OG SER A 46 -2.750 17.507 73.174 1.00 67.72 -0.398 OA ATOM 424 HG SER A 46 -1.899 17.301 72.806 1.00 0.00 0.209 HD ATOM 425 N GLU A 47 -3.965 17.521 77.527 1.00 70.96 -0.346 N ATOM 426 HN GLU A 47 -3.599 18.457 77.356 1.00 0.00 0.163 HD ATOM 427 CA GLU A 47 -4.049 17.023 78.895 1.00 70.54 0.177 C ATOM 428 C GLU A 47 -5.452 17.117 79.482 1.00 69.09 0.241 C ATOM 429 O GLU A 47 -5.693 16.560 80.559 1.00 69.43 -0.271 OA ATOM 430 CB GLU A 47 -3.065 17.782 79.791 1.00 71.46 0.045 C ATOM 431 CG GLU A 47 -2.573 16.982 80.987 1.00 79.64 0.116 C ATOM 432 CD GLU A 47 -1.180 17.384 81.429 1.00 85.00 0.172 C ATOM 433 OE1 GLU A 47 -1.058 18.045 82.481 1.00 85.44 -0.648 OA ATOM 434 OE2 GLU A 47 -0.209 17.036 80.725 1.00 82.68 -0.648 OA ATOM 435 N ASP A 48 -6.379 17.796 78.807 1.00 67.45 -0.346 N ATOM 436 HN ASP A 48 -6.130 18.222 77.914 1.00 0.00 0.163 HD ATOM 437 CA ASP A 48 -7.738 17.946 79.309 1.00 66.01 0.186 C ATOM 438 C ASP A 48 -8.702 16.904 78.758 1.00 61.87 0.241 C ATOM 439 O ASP A 48 -9.706 16.606 79.414 1.00 57.55 -0.271 OA ATOM 440 CB ASP A 48 -8.281 19.339 78.967 1.00 67.91 0.147 C ATOM 441 CG ASP A 48 -7.577 20.447 79.727 1.00 70.82 0.175 C ATOM 442 OD1 ASP A 48 -7.511 20.368 80.972 1.00 74.63 -0.648 OA ATOM 443 OD2 ASP A 48 -7.100 21.402 79.079 1.00 65.47 -0.648 OA ATOM 444 N MET A 49 -8.413 16.332 77.588 1.00 64.80 -0.346 N ATOM 445 HN MET A 49 -7.465 16.408 77.218 1.00 0.00 0.163 HD ATOM 446 CA MET A 49 -9.418 15.600 76.823 1.00 61.58 0.177 C ATOM 447 C MET A 49 -9.793 14.249 77.421 1.00 54.59 0.241 C ATOM 448 O MET A 49 -10.736 13.623 76.925 1.00 50.82 -0.271 OA ATOM 449 CB MET A 49 -8.930 15.410 75.386 1.00 62.15 0.045 C ATOM 450 CG MET A 49 -8.934 16.691 74.567 1.00 60.24 0.076 C ATOM 451 SD MET A 49 -8.229 16.487 72.920 1.00 77.15 -0.173 SA ATOM 452 CE MET A 49 -8.703 18.038 72.158 1.00 60.34 0.089 C ATOM 453 N LEU A 50 -9.098 13.777 78.459 1.00 55.58 -0.346 N ATOM 454 HN LEU A 50 -8.311 14.307 78.833 1.00 0.00 0.163 HD ATOM 455 CA LEU A 50 -9.472 12.497 79.056 1.00 50.20 0.177 C ATOM 456 C LEU A 50 -10.771 12.620 79.843 1.00 50.23 0.241 C ATOM 457 O LEU A 50 -11.702 11.828 79.656 1.00 53.98 -0.271 OA ATOM 458 CB LEU A 50 -8.348 11.972 79.949 1.00 56.38 0.038 C ATOM 459 CG LEU A 50 -8.686 10.683 80.706 1.00 56.22 -0.020 C ATOM 460 CD1 LEU A 50 -9.083 9.574 79.738 1.00 54.68 0.009 C ATOM 461 CD2 LEU A 50 -7.524 10.242 81.582 1.00 61.06 0.009 C ATOM 462 N ASN A 51 -10.852 13.606 80.734 1.00 54.23 -0.346 N ATOM 463 HN ASN A 51 -10.034 14.195 80.892 1.00 0.00 0.163 HD ATOM 464 CA ASN A 51 -12.073 13.874 81.495 1.00 56.71 0.185 C ATOM 465 C ASN A 51 -12.099 15.344 81.875 1.00 53.53 0.243 C ATOM 466 O ASN A 51 -11.754 15.724 83.001 1.00 59.55 -0.271 OA ATOM 467 CB ASN A 51 -12.165 12.987 82.737 1.00 60.04 0.137 C ATOM 468 CG ASN A 51 -13.429 13.238 83.538 1.00 66.55 0.217 C ATOM 469 OD1 ASN A 51 -14.540 13.012 83.056 1.00 68.23 -0.274 OA ATOM 470 ND2 ASN A 51 -13.266 13.713 84.768 1.00 64.37 -0.370 N ATOM 471 1HD2 ASN A 51 -12.346 13.900 85.167 1.00 0.00 0.159 HD ATOM 472 2HD2 ASN A 51 -14.116 13.882 85.306 1.00 0.00 0.159 HD ATOM 473 N PRO A 52 -12.498 16.214 80.948 1.00 51.24 -0.337 N ATOM 474 CA PRO A 52 -12.552 17.645 81.255 1.00 51.92 0.179 C ATOM 475 C PRO A 52 -13.895 18.065 81.828 1.00 44.57 0.241 C ATOM 476 O PRO A 52 -14.959 17.609 81.403 1.00 48.93 -0.271 OA ATOM 477 CB PRO A 52 -12.320 18.290 79.883 1.00 53.34 0.037 C ATOM 478 CG PRO A 52 -12.940 17.322 78.923 1.00 53.26 0.022 C ATOM 479 CD PRO A 52 -12.813 15.939 79.534 1.00 52.84 0.127 C ATOM 480 N ASN A 53 -13.837 18.944 82.824 1.00 42.70 -0.346 N ATOM 481 HN ASN A 53 -12.935 19.145 83.255 1.00 0.00 0.163 HD ATOM 482 CA ASN A 53 -15.027 19.629 83.318 1.00 41.54 0.185 C ATOM 483 C ASN A 53 -15.147 20.918 82.518 1.00 45.98 0.241 C ATOM 484 O ASN A 53 -14.410 21.880 82.750 1.00 43.49 -0.271 OA ATOM 485 CB ASN A 53 -14.935 19.889 84.817 1.00 47.59 0.137 C ATOM 486 CG ASN A 53 -16.245 20.385 85.400 1.00 50.78 0.217 C ATOM 487 OD1 ASN A 53 -16.730 21.458 85.043 1.00 49.11 -0.274 OA ATOM 488 ND2 ASN A 53 -16.830 19.598 86.295 1.00 58.51 -0.370 N ATOM 489 1HD2 ASN A 53 -17.711 19.931 86.687 1.00 0.00 0.159 HD ATOM 490 2HD2 ASN A 53 -16.428 18.709 86.591 1.00 0.00 0.159 HD ATOM 491 N TYR A 54 -16.074 20.929 81.559 1.00 41.02 -0.346 N ATOM 492 HN TYR A 54 -16.750 20.167 81.500 1.00 0.00 0.163 HD ATOM 493 CA TYR A 54 -16.130 22.020 80.594 1.00 37.74 0.180 C ATOM 494 C TYR A 54 -16.556 23.333 81.234 1.00 36.00 0.241 C ATOM 495 O TYR A 54 -16.115 24.400 80.794 1.00 38.89 -0.271 OA ATOM 496 CB TYR A 54 -17.070 21.652 79.448 1.00 36.00 0.073 C ATOM 497 CG TYR A 54 -16.478 20.641 78.495 1.00 32.02 -0.056 A ATOM 498 CD1 TYR A 54 -15.662 21.044 77.448 1.00 36.25 0.010 A ATOM 499 CD2 TYR A 54 -16.725 19.284 78.648 1.00 36.73 0.010 A ... HERE CONTINUES THE ATOMS ...
bend/pdbqt_example.1585073942.txt.gz · Last modified: 2020/03/24 18:19 by fsilesc
