X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=inline;f=ctest%2Fdfa%2Fmodel01.pdb;fp=ctest%2Fdfa%2Fmodel01.pdb;h=80e7fa71f5a5cf597ce3dc09cf46a8f6bf867b87;hb=ec9eedb90aac9b0b3ee40933249ec1f3b0fa616b;hp=0000000000000000000000000000000000000000;hpb=689595abb9634ddf02f9642b52a38b4773cea9cc;p=unres.git diff --git a/ctest/dfa/model01.pdb b/ctest/dfa/model01.pdb new file mode 100644 index 0000000..80e7fa7 --- /dev/null +++ b/ctest/dfa/model01.pdb @@ -0,0 +1,594 @@ +PFRMAT TS +TARGET T0884 +MODEL 1 +PARENT N/A +ATOM 1 N ARG 1 -12.400 -0.086 -9.873 1.00400.00 N +ATOM 2 CA ARG 1 -12.529 1.125 -9.073 1.00400.00 C +ATOM 3 C ARG 1 -12.405 0.792 -7.592 1.00400.00 C +ATOM 4 O ARG 1 -13.086 -0.102 -7.085 1.00400.00 O +ATOM 5 CB ARG 1 -13.865 1.812 -9.345 1.00600.00 C +ATOM 6 CG ARG 1 -14.090 3.142 -8.608 1.00600.00 C +ATOM 7 CD ARG 1 -15.413 3.753 -8.955 1.00600.00 C +ATOM 8 NE ARG 1 -15.646 5.030 -8.266 1.00600.00 N +ATOM 9 CZ ARG 1 -16.815 5.712 -8.303 1.00600.00 C +ATOM 10 NH1 ARG 1 -17.830 5.227 -8.986 1.00600.00 N +ATOM 11 NH2 ARG 1 -16.953 6.864 -7.661 1.00600.00 N +ATOM 27 N GLY 2 -11.518 1.504 -6.911 1.00400.00 N +ATOM 28 CA GLY 2 -11.281 1.329 -5.484 1.00400.00 C +ATOM 29 C GLY 2 -12.376 2.024 -4.675 1.00400.00 C +ATOM 30 O GLY 2 -13.393 2.427 -5.237 1.00400.00 O +ATOM 34 N PRO 3 -12.197 2.198 -3.362 1.00400.00 N +ATOM 35 CA PRO 3 -13.181 2.766 -2.464 1.00400.00 C +ATOM 36 C PRO 3 -13.408 4.240 -2.749 1.00400.00 C +ATOM 37 O PRO 3 -12.524 4.927 -3.256 1.00400.00 O +ATOM 38 CB PRO 3 -12.549 2.516 -1.084 1.00600.00 C +ATOM 39 CG PRO 3 -11.060 2.377 -1.351 1.00600.00 C +ATOM 40 CD PRO 3 -10.965 1.716 -2.700 1.00600.00 C +ATOM 48 N SER 4 -14.598 4.727 -2.386 1.00400.00 N +ATOM 49 CA SER 4 -14.959 6.140 -2.526 1.00400.00 C +ATOM 50 C SER 4 -14.873 6.891 -1.195 1.00333.82 C +ATOM 51 O SER 4 -15.201 8.080 -1.100 1.00385.54 O +ATOM 52 CB SER 4 -16.356 6.270 -3.100 1.00600.00 C +ATOM 53 OG SER 4 -17.312 5.726 -2.230 1.00600.00 O +ATOM 59 N ASN 5 -14.385 6.207 -0.167 1.00288.87 N +ATOM 60 CA ASN 5 -14.309 6.744 1.190 1.00311.69 C +ATOM 61 C ASN 5 -13.241 7.817 1.302 1.00210.58 C +ATOM 62 O ASN 5 -12.186 7.594 1.875 1.00219.24 O +ATOM 63 CB ASN 5 -13.994 5.621 2.174 1.00467.53 C +ATOM 64 CG ASN 5 -14.104 6.034 3.637 1.00467.53 C +ATOM 65 OD1 ASN 5 -14.698 7.072 3.957 1.00467.53 O +ATOM 66 ND2 ASN 5 -13.540 5.239 4.531 1.00467.53 N +ATOM 73 N GLY 6 -13.544 8.995 0.776 1.00194.44 N +ATOM 74 CA GLY 6 -12.591 10.097 0.733 1.00195.77 C +ATOM 75 C GLY 6 -12.254 10.517 -0.700 1.00182.62 C +ATOM 76 O GLY 6 -11.296 11.266 -0.939 1.00224.96 O +ATOM 80 N GLN 7 -13.027 10.043 -1.670 1.00184.46 N +ATOM 81 CA GLN 7 -12.751 10.452 -3.039 1.00247.12 C +ATOM 82 C GLN 7 -12.833 11.969 -3.165 1.00212.32 C +ATOM 83 O GLN 7 -13.764 12.596 -2.657 1.00284.93 O +ATOM 84 CB GLN 7 -13.707 9.775 -4.029 1.00370.68 C +ATOM 85 CG GLN 7 -13.403 10.096 -5.494 1.00370.68 C +ATOM 86 CD GLN 7 -14.287 9.349 -6.499 1.00370.68 C +ATOM 87 OE1 GLN 7 -15.012 8.395 -6.159 1.00370.68 O +ATOM 88 NE2 GLN 7 -14.220 9.794 -7.754 1.00370.68 N +ATOM 97 N SER 8 -11.824 12.541 -3.823 1.00180.48 N +ATOM 98 CA SER 8 -11.674 13.974 -4.094 1.00214.87 C +ATOM 99 C SER 8 -11.409 14.878 -2.874 1.00182.06 C +ATOM 100 O SER 8 -11.349 16.098 -3.027 1.00278.39 O +ATOM 101 CB SER 8 -12.895 14.502 -4.833 1.00322.31 C +ATOM 102 OG SER 8 -13.119 13.782 -6.016 1.00322.31 O +ATOM 108 N VAL 9 -11.104 14.314 -1.701 1.00110.68 N +ATOM 109 CA VAL 9 -10.803 15.160 -0.536 1.00140.60 C +ATOM 110 C VAL 9 -9.644 16.116 -0.768 1.00135.45 C +ATOM 111 O VAL 9 -9.690 17.266 -0.333 1.00215.75 O +ATOM 112 CB VAL 9 -10.514 14.320 0.716 1.00210.90 C +ATOM 113 CG1 VAL 9 -9.953 15.208 1.822 1.00210.90 C +ATOM 114 CG2 VAL 9 -11.804 13.713 1.192 1.00210.90 C +ATOM 124 N LEU 10 -8.600 15.648 -1.434 1.00101.01 N +ATOM 125 CA LEU 10 -7.450 16.493 -1.703 1.00158.52 C +ATOM 126 C LEU 10 -7.454 17.079 -3.124 1.00166.54 C +ATOM 127 O LEU 10 -6.400 17.444 -3.647 1.00236.45 O +ATOM 128 CB LEU 10 -6.157 15.735 -1.413 1.00237.78 C +ATOM 129 CG LEU 10 -5.994 15.272 0.062 1.00237.78 C +ATOM 130 CD1 LEU 10 -4.674 14.544 0.237 1.00237.78 C +ATOM 131 CD2 LEU 10 -6.065 16.472 0.972 1.00237.78 C +ATOM 143 N GLU 11 -8.639 17.116 -3.770 1.00153.00 N +ATOM 144 CA GLU 11 -8.893 17.745 -5.087 1.00172.61 C +ATOM 145 C GLU 11 -8.247 17.111 -6.332 1.00110.34 C +ATOM 146 O GLU 11 -8.923 16.856 -7.337 1.00169.62 O +ATOM 147 CB GLU 11 -8.514 19.240 -5.043 1.00258.92 C +ATOM 148 CG GLU 11 -9.421 20.086 -4.128 1.00258.92 C +ATOM 149 CD GLU 11 -9.051 21.562 -4.067 1.00258.92 C +ATOM 150 OE1 GLU 11 -8.055 21.939 -4.634 1.00258.92 O +ATOM 151 OE2 GLU 11 -9.779 22.306 -3.450 1.00258.92 O +ATOM 158 N ASN 12 -6.943 16.891 -6.278 1.00 72.71 N +ATOM 159 CA ASN 12 -6.186 16.394 -7.418 1.00 57.20 C +ATOM 160 C ASN 12 -5.800 14.920 -7.296 1.00 39.77 C +ATOM 161 O ASN 12 -4.700 14.548 -7.698 1.00 61.13 O +ATOM 162 CB ASN 12 -4.945 17.235 -7.628 1.00 85.80 C +ATOM 163 CG ASN 12 -5.263 18.688 -7.920 1.00 85.80 C +ATOM 164 OD1 ASN 12 -6.244 19.033 -8.598 1.00 85.80 O +ATOM 165 ND2 ASN 12 -4.427 19.562 -7.418 1.00 85.80 N +ATOM 172 N SER 13 -6.640 14.099 -6.645 1.00 30.99 N +ATOM 173 CA SER 13 -6.286 12.684 -6.461 1.00 26.76 C +ATOM 174 C SER 13 -6.554 11.752 -7.664 1.00 30.00 C +ATOM 175 O SER 13 -7.536 11.927 -8.392 1.00 42.34 O +ATOM 176 CB SER 13 -7.000 12.119 -5.245 1.00 40.14 C +ATOM 177 OG SER 13 -8.397 12.104 -5.423 1.00 40.14 O +ATOM 183 N VAL 14 -5.712 10.708 -7.782 1.00 24.64 N +ATOM 184 CA VAL 14 -5.793 9.615 -8.764 1.00 28.94 C +ATOM 185 C VAL 14 -5.610 8.254 -8.087 1.00 23.99 C +ATOM 186 O VAL 14 -4.735 8.094 -7.241 1.00 18.21 O +ATOM 187 CB VAL 14 -4.689 9.766 -9.836 1.00 43.41 C +ATOM 188 CG1 VAL 14 -4.755 8.646 -10.856 1.00 43.41 C +ATOM 189 CG2 VAL 14 -4.819 11.063 -10.485 1.00 43.41 C +ATOM 199 N GLN 15 -6.421 7.262 -8.425 1.00 30.72 N +ATOM 200 CA GLN 15 -6.192 5.947 -7.819 1.00 28.98 C +ATOM 201 C GLN 15 -4.864 5.337 -8.277 1.00 29.47 C +ATOM 202 O GLN 15 -4.526 5.382 -9.461 1.00 38.73 O +ATOM 203 CB GLN 15 -7.328 4.975 -8.112 1.00 43.47 C +ATOM 204 CG GLN 15 -7.140 3.661 -7.381 1.00 43.47 C +ATOM 205 CD GLN 15 -8.257 2.704 -7.537 1.00 43.47 C +ATOM 206 OE1 GLN 15 -9.421 3.072 -7.794 1.00 43.47 O +ATOM 207 NE2 GLN 15 -7.903 1.425 -7.399 1.00 43.47 N +ATOM 216 N VAL 16 -4.131 4.759 -7.332 1.00 25.92 N +ATOM 217 CA VAL 16 -2.847 4.109 -7.564 1.00 31.94 C +ATOM 218 C VAL 16 -2.988 2.595 -7.419 1.00 38.27 C +ATOM 219 O VAL 16 -3.698 2.123 -6.534 1.00 42.52 O +ATOM 220 CB VAL 16 -1.816 4.627 -6.539 1.00 47.91 C +ATOM 221 CG1 VAL 16 -0.476 3.957 -6.711 1.00 47.91 C +ATOM 222 CG2 VAL 16 -1.695 6.100 -6.673 1.00 47.91 C +ATOM 232 N LYS 17 -2.379 1.822 -8.316 1.00 59.74 N +ATOM 233 CA LYS 17 -2.445 0.373 -8.149 1.00 95.37 C +ATOM 234 C LYS 17 -2.039 0.042 -6.721 1.00155.82 C +ATOM 235 O LYS 17 -0.994 0.496 -6.258 1.00232.00 O +ATOM 236 CB LYS 17 -1.505 -0.346 -9.117 1.00143.06 C +ATOM 237 CG LYS 17 -1.553 -1.869 -9.013 1.00143.06 C +ATOM 238 CD LYS 17 -0.628 -2.533 -10.020 1.00143.06 C +ATOM 239 CE LYS 17 -0.674 -4.046 -9.888 1.00143.06 C +ATOM 240 NZ LYS 17 0.226 -4.718 -10.866 1.00143.06 N +ATOM 254 N GLU 18 -2.843 -0.746 -6.024 1.00198.75 N +ATOM 255 CA GLU 18 -2.517 -1.064 -4.644 1.00340.38 C +ATOM 256 C GLU 18 -1.383 -2.078 -4.600 1.00369.49 C +ATOM 257 O GLU 18 -1.512 -3.182 -5.138 1.00398.80 O +ATOM 258 CB GLU 18 -3.767 -1.592 -3.931 1.00510.57 C +ATOM 259 CG GLU 18 -4.888 -0.538 -3.799 1.00510.57 C +ATOM 260 CD GLU 18 -6.144 -1.045 -3.115 1.00510.57 C +ATOM 261 OE1 GLU 18 -6.175 -2.190 -2.736 1.00510.57 O +ATOM 262 OE2 GLU 18 -7.080 -0.278 -2.989 1.00510.57 O +ATOM 269 N THR 19 -0.253 -1.670 -4.017 1.00400.00 N +ATOM 270 CA THR 19 0.945 -2.500 -3.955 1.00400.00 C +ATOM 271 C THR 19 1.560 -2.586 -2.552 1.00400.00 C +ATOM 272 O THR 19 2.400 -3.451 -2.296 1.00400.00 O +ATOM 273 CB THR 19 2.016 -2.009 -4.962 1.00600.00 C +ATOM 274 OG1 THR 19 2.436 -0.680 -4.618 1.00600.00 O +ATOM 275 CG2 THR 19 1.468 -2.012 -6.398 1.00600.00 C +ATOM 283 N SER 20 1.179 -1.679 -1.651 1.00400.00 N +ATOM 284 CA SER 20 1.812 -1.645 -0.332 1.00400.00 C +ATOM 285 C SER 20 1.536 -2.917 0.473 1.00400.00 C +ATOM 286 O SER 20 0.426 -3.451 0.396 1.00400.00 O +ATOM 287 CB SER 20 1.299 -0.470 0.487 1.00600.00 C +ATOM 288 OG SER 20 1.846 -0.466 1.811 1.00600.00 O +ATOM 294 N PRO 21 2.524 -3.434 1.223 1.00400.00 N +ATOM 295 CA PRO 21 2.403 -4.511 2.173 1.00400.00 C +ATOM 296 C PRO 21 1.730 -3.927 3.393 1.00400.00 C +ATOM 297 O PRO 21 1.550 -2.701 3.464 1.00400.00 O +ATOM 298 CB PRO 21 3.854 -4.928 2.427 1.00600.00 C +ATOM 299 CG PRO 21 4.640 -3.666 2.230 1.00600.00 C +ATOM 300 CD PRO 21 3.923 -2.935 1.092 1.00600.00 C +ATOM 308 N ARG 22 1.331 -4.776 4.332 1.00400.00 N +ATOM 309 CA ARG 22 0.788 -4.272 5.584 1.00400.00 C +ATOM 310 C ARG 22 1.943 -3.732 6.424 1.00400.00 C +ATOM 311 O ARG 22 2.996 -4.365 6.488 1.00400.00 O +ATOM 312 CB ARG 22 0.097 -5.378 6.370 1.00600.00 C +ATOM 313 CG ARG 22 -1.123 -6.002 5.718 1.00600.00 C +ATOM 314 CD ARG 22 -1.789 -7.021 6.617 1.00600.00 C +ATOM 315 NE ARG 22 -2.902 -7.679 5.946 1.00600.00 N +ATOM 316 CZ ARG 22 -3.823 -8.483 6.531 1.00600.00 C +ATOM 317 NH1 ARG 22 -3.821 -8.728 7.833 1.00600.00 N +ATOM 318 NH2 ARG 22 -4.756 -9.040 5.772 1.00600.00 N +ATOM 332 N ARG 23 1.754 -2.591 7.091 1.00400.00 N +ATOM 333 CA ARG 23 2.773 -2.047 8.003 1.00400.00 C +ATOM 334 C ARG 23 3.084 -3.066 9.102 1.00400.00 C +ATOM 335 O ARG 23 4.238 -3.386 9.392 1.00400.00 O +ATOM 336 CB ARG 23 2.251 -0.755 8.623 1.00600.00 C +ATOM 337 CG ARG 23 3.177 0.006 9.567 1.00600.00 C +ATOM 338 CD ARG 23 2.434 1.166 10.164 1.00600.00 C +ATOM 339 NE ARG 23 1.349 0.754 11.085 1.00600.00 N +ATOM 340 CZ ARG 23 1.500 0.448 12.384 1.00600.00 C +ATOM 341 NH1 ARG 23 2.677 0.539 12.978 1.00600.00 N +ATOM 342 NH2 ARG 23 0.431 0.068 13.054 1.00600.00 N +ATOM 356 N VAL 24 1.998 -3.547 9.694 1.00400.00 N +ATOM 357 CA VAL 24 1.936 -4.556 10.738 1.00400.00 C +ATOM 358 C VAL 24 0.827 -5.511 10.335 1.00400.00 C +ATOM 359 O VAL 24 -0.147 -5.084 9.717 1.00400.00 O +ATOM 360 CB VAL 24 1.606 -3.929 12.102 1.00600.00 C +ATOM 361 CG1 VAL 24 2.688 -2.977 12.541 1.00600.00 C +ATOM 362 CG2 VAL 24 0.308 -3.193 11.973 1.00600.00 C +ATOM 372 N SER 25 0.873 -6.764 10.784 1.00400.00 N +ATOM 373 CA SER 25 -0.184 -7.726 10.429 1.00400.00 C +ATOM 374 C SER 25 -1.595 -7.303 10.875 1.00400.00 C +ATOM 375 O SER 25 -2.599 -7.769 10.330 1.00400.00 O +ATOM 376 CB SER 25 0.155 -9.077 11.029 1.00600.00 C +ATOM 377 OG SER 25 0.103 -9.034 12.430 1.00600.00 O +ATOM 383 N VAL 26 -1.655 -6.398 11.845 1.00400.00 N +ATOM 384 CA VAL 26 -2.887 -5.847 12.396 1.00400.00 C +ATOM 385 C VAL 26 -3.664 -4.975 11.402 1.00400.00 C +ATOM 386 O VAL 26 -4.895 -4.958 11.425 1.00400.00 O +ATOM 387 CB VAL 26 -2.574 -5.006 13.644 1.00600.00 C +ATOM 388 CG1 VAL 26 -3.827 -4.302 14.125 1.00600.00 C +ATOM 389 CG2 VAL 26 -1.984 -5.904 14.706 1.00600.00 C +ATOM 399 N ASP 27 -2.941 -4.178 10.616 1.00400.00 N +ATOM 400 CA ASP 27 -3.532 -3.223 9.685 1.00400.00 C +ATOM 401 C ASP 27 -3.708 -3.810 8.277 1.00400.00 C +ATOM 402 O ASP 27 -2.714 -4.182 7.665 1.00400.00 O +ATOM 403 CB ASP 27 -2.635 -1.987 9.538 1.00600.00 C +ATOM 404 CG ASP 27 -2.557 -1.067 10.793 1.00600.00 C +ATOM 405 OD1 ASP 27 -3.354 -1.214 11.669 1.00600.00 O +ATOM 406 OD2 ASP 27 -1.719 -0.146 10.809 1.00600.00 O +ATOM 411 N PRO 28 -4.928 -3.899 7.726 1.00400.00 N +ATOM 412 CA PRO 28 -5.204 -4.382 6.391 1.00400.00 C +ATOM 413 C PRO 28 -4.470 -3.516 5.389 1.00251.86 C +ATOM 414 O PRO 28 -4.150 -2.363 5.683 1.00288.63 O +ATOM 415 CB PRO 28 -6.722 -4.239 6.273 1.00600.00 C +ATOM 416 CG PRO 28 -7.217 -4.306 7.696 1.00600.00 C +ATOM 417 CD PRO 28 -6.132 -3.679 8.528 1.00600.00 C +ATOM 425 N GLN 29 -4.210 -4.050 4.206 1.00164.83 N +ATOM 426 CA GLN 29 -3.570 -3.238 3.186 1.00109.24 C +ATOM 427 C GLN 29 -4.479 -2.057 2.900 1.00 65.96 C +ATOM 428 O GLN 29 -5.687 -2.229 2.731 1.00 95.42 O +ATOM 429 CB GLN 29 -3.324 -4.076 1.929 1.00163.86 C +ATOM 430 CG GLN 29 -2.212 -5.095 2.093 1.00163.86 C +ATOM 431 CD GLN 29 -2.065 -6.026 0.903 1.00163.86 C +ATOM 432 OE1 GLN 29 -2.930 -6.876 0.652 1.00163.86 O +ATOM 433 NE2 GLN 29 -0.991 -5.856 0.153 1.00163.86 N +ATOM 442 N THR 30 -3.901 -0.862 2.875 1.00 40.70 N +ATOM 443 CA THR 30 -4.681 0.353 2.676 1.00 41.08 C +ATOM 444 C THR 30 -4.949 0.668 1.218 1.00 30.73 C +ATOM 445 O THR 30 -4.228 0.205 0.335 1.00 37.79 O +ATOM 446 CB THR 30 -3.950 1.543 3.312 1.00 61.62 C +ATOM 447 OG1 THR 30 -2.675 1.723 2.669 1.00 61.62 O +ATOM 448 CG2 THR 30 -3.756 1.310 4.789 1.00 61.62 C +ATOM 456 N GLY 31 -5.942 1.523 0.975 1.00 24.39 N +ATOM 457 CA GLY 31 -6.195 1.981 -0.389 1.00 22.92 C +ATOM 458 C GLY 31 -5.093 2.959 -0.732 1.00 20.64 C +ATOM 459 O GLY 31 -4.623 3.674 0.153 1.00 34.72 O +ATOM 463 N GLU 32 -4.706 3.053 -1.999 1.00 19.80 N +ATOM 464 CA GLU 32 -3.650 4.002 -2.355 1.00 22.86 C +ATOM 465 C GLU 32 -4.061 4.973 -3.451 1.00 18.40 C +ATOM 466 O GLU 32 -4.433 4.561 -4.549 1.00 21.50 O +ATOM 467 CB GLU 32 -2.384 3.235 -2.773 1.00 34.29 C +ATOM 468 CG GLU 32 -1.766 2.389 -1.637 1.00 34.29 C +ATOM 469 CD GLU 32 -0.535 1.611 -2.032 1.00 34.29 C +ATOM 470 OE1 GLU 32 0.525 2.173 -2.083 1.00 34.29 O +ATOM 471 OE2 GLU 32 -0.672 0.426 -2.273 1.00 34.29 O +ATOM 478 N PHE 33 -4.030 6.259 -3.113 1.00 15.70 N +ATOM 479 CA PHE 33 -4.385 7.339 -4.033 1.00 16.21 C +ATOM 480 C PHE 33 -3.254 8.386 -4.082 1.00 15.79 C +ATOM 481 O PHE 33 -2.607 8.631 -3.064 1.00 17.78 O +ATOM 482 CB PHE 33 -5.725 7.918 -3.559 1.00 24.32 C +ATOM 483 CG PHE 33 -6.883 6.893 -3.669 1.00 24.32 C +ATOM 484 CD1 PHE 33 -7.103 5.930 -2.681 1.00 24.32 C +ATOM 485 CD2 PHE 33 -7.763 6.927 -4.737 1.00 24.32 C +ATOM 486 CE1 PHE 33 -8.147 5.022 -2.783 1.00 24.32 C +ATOM 487 CE2 PHE 33 -8.814 6.022 -4.832 1.00 24.32 C +ATOM 488 CZ PHE 33 -9.001 5.072 -3.858 1.00 24.32 C +ATOM 498 N VAL 34 -3.023 9.028 -5.237 1.00 15.80 N +ATOM 499 CA VAL 34 -1.959 10.048 -5.327 1.00 14.45 C +ATOM 500 C VAL 34 -2.514 11.389 -5.753 1.00 13.04 C +ATOM 501 O VAL 34 -3.365 11.459 -6.629 1.00 16.88 O +ATOM 502 CB VAL 34 -0.855 9.642 -6.345 1.00 21.67 C +ATOM 503 CG1 VAL 34 -1.462 9.523 -7.733 1.00 21.67 C +ATOM 504 CG2 VAL 34 0.316 10.675 -6.359 1.00 21.67 C +ATOM 514 N VAL 35 -2.024 12.441 -5.120 1.00 11.60 N +ATOM 515 CA VAL 35 -2.402 13.819 -5.372 1.00 15.02 C +ATOM 516 C VAL 35 -1.291 14.472 -6.156 1.00 14.17 C +ATOM 517 O VAL 35 -0.120 14.402 -5.752 1.00 15.66 O +ATOM 518 CB VAL 35 -2.636 14.545 -4.052 1.00 22.53 C +ATOM 519 CG1 VAL 35 -3.018 15.988 -4.286 1.00 22.53 C +ATOM 520 CG2 VAL 35 -3.695 13.839 -3.317 1.00 22.53 C +ATOM 530 N PHE 36 -1.633 15.120 -7.265 1.00 20.55 N +ATOM 531 CA PHE 36 -0.566 15.614 -8.123 1.00 29.65 C +ATOM 532 C PHE 36 -0.855 16.979 -8.722 1.00 37.03 C +ATOM 533 O PHE 36 -1.993 17.446 -8.727 1.00 53.51 O +ATOM 534 CB PHE 36 -0.417 14.588 -9.234 1.00 44.47 C +ATOM 535 CG PHE 36 -1.507 14.594 -10.228 1.00 44.47 C +ATOM 536 CD1 PHE 36 -1.305 15.217 -11.424 1.00 44.47 C +ATOM 537 CD2 PHE 36 -2.743 14.067 -9.970 1.00 44.47 C +ATOM 538 CE1 PHE 36 -2.291 15.275 -12.375 1.00 44.47 C +ATOM 539 CE2 PHE 36 -3.754 14.163 -10.921 1.00 44.47 C +ATOM 540 CZ PHE 36 -3.518 14.753 -12.120 1.00 44.47 C +ATOM 550 N ASP 37 0.185 17.633 -9.235 1.00 59.40 N +ATOM 551 CA ASP 37 -0.048 18.931 -9.878 1.00101.77 C +ATOM 552 C ASP 37 -0.486 18.737 -11.321 1.00136.51 C +ATOM 553 O ASP 37 0.309 18.331 -12.185 1.00164.69 O +ATOM 554 CB ASP 37 1.160 19.879 -9.795 1.00152.66 C +ATOM 555 CG ASP 37 0.894 21.329 -10.366 1.00152.66 C +ATOM 556 OD1 ASP 37 -0.055 21.531 -11.136 1.00152.66 O +ATOM 557 OD2 ASP 37 1.650 22.204 -10.021 1.00152.66 O +ATOM 562 N ARG 38 -1.761 19.057 -11.574 1.00195.10 N +ATOM 563 CA ARG 38 -2.440 18.887 -12.860 1.00309.45 C +ATOM 564 C ARG 38 -1.796 19.676 -13.992 1.00381.09 C +ATOM 565 O ARG 38 -2.010 19.372 -15.165 1.00400.00 O +ATOM 566 CB ARG 38 -3.904 19.281 -12.742 1.00464.17 C +ATOM 567 CG ARG 38 -4.774 18.326 -11.912 1.00464.17 C +ATOM 568 CD ARG 38 -6.189 18.799 -11.852 1.00464.17 C +ATOM 569 NE ARG 38 -7.031 17.976 -10.971 1.00464.17 N +ATOM 570 CZ ARG 38 -7.715 16.868 -11.334 1.00464.17 C +ATOM 571 NH1 ARG 38 -7.664 16.447 -12.581 1.00464.17 N +ATOM 572 NH2 ARG 38 -8.450 16.201 -10.443 1.00464.17 N +ATOM 586 N THR 39 -1.000 20.678 -13.642 1.00386.02 N +ATOM 587 CA THR 39 -0.312 21.505 -14.615 1.00400.00 C +ATOM 588 C THR 39 0.690 20.669 -15.403 1.00400.00 C +ATOM 589 O THR 39 0.906 20.888 -16.597 1.00400.00 O +ATOM 590 CB THR 39 0.493 22.613 -13.915 1.00600.00 C +ATOM 591 OG1 THR 39 -0.375 23.412 -13.120 1.00600.00 O +ATOM 592 CG2 THR 39 1.196 23.480 -14.944 1.00600.00 C +ATOM 600 N LEU 40 1.382 19.789 -14.677 1.00400.00 N +ATOM 601 CA LEU 40 2.485 19.006 -15.210 1.00400.00 C +ATOM 602 C LEU 40 2.278 17.489 -15.210 1.00400.00 C +ATOM 603 O LEU 40 2.969 16.772 -15.935 1.00400.00 O +ATOM 604 CB LEU 40 3.738 19.323 -14.395 1.00600.00 C +ATOM 605 CG LEU 40 4.182 20.792 -14.411 1.00600.00 C +ATOM 606 CD1 LEU 40 5.356 20.965 -13.485 1.00600.00 C +ATOM 607 CD2 LEU 40 4.530 21.201 -15.829 1.00600.00 C +ATOM 619 N GLY 41 1.380 16.984 -14.357 1.00400.00 N +ATOM 620 CA GLY 41 1.292 15.539 -14.148 1.00400.00 C +ATOM 621 C GLY 41 2.312 15.176 -13.066 1.00400.00 C +ATOM 622 O GLY 41 2.924 14.104 -13.059 1.00400.00 O +ATOM 626 N ASP 42 2.517 16.108 -12.139 1.00400.00 N +ATOM 627 CA ASP 42 3.532 15.910 -11.123 1.00400.00 C +ATOM 628 C ASP 42 3.152 15.009 -9.978 1.00326.22 C +ATOM 629 O ASP 42 2.642 15.457 -8.947 1.00333.04 O +ATOM 630 CB ASP 42 3.972 17.241 -10.535 1.00600.00 C +ATOM 631 CG ASP 42 5.087 17.113 -9.486 1.00600.00 C +ATOM 632 OD1 ASP 42 5.341 16.009 -8.997 1.00600.00 O +ATOM 633 OD2 ASP 42 5.677 18.115 -9.167 1.00600.00 O +ATOM 638 N VAL 43 3.492 13.742 -10.165 1.00300.40 N +ATOM 639 CA VAL 43 3.283 12.641 -9.231 1.00253.88 C +ATOM 640 C VAL 43 4.643 12.246 -8.676 1.00165.46 C +ATOM 641 O VAL 43 4.874 11.089 -8.326 1.00199.10 O +ATOM 642 CB VAL 43 2.684 11.415 -9.946 1.00380.82 C +ATOM 643 CG1 VAL 43 1.297 11.706 -10.479 1.00380.82 C +ATOM 644 CG2 VAL 43 3.617 11.041 -11.079 1.00380.82 C +ATOM 654 N TYR 44 5.559 13.218 -8.656 1.00124.02 N +ATOM 655 CA TYR 44 6.930 13.007 -8.217 1.00112.03 C +ATOM 656 C TYR 44 7.223 13.764 -6.922 1.00 77.96 C +ATOM 657 O TYR 44 7.929 13.261 -6.047 1.00106.13 O +ATOM 658 CB TYR 44 7.840 13.468 -9.341 1.00168.05 C +ATOM 659 CG TYR 44 7.498 12.758 -10.617 1.00168.05 C +ATOM 660 CD1 TYR 44 6.865 13.463 -11.628 1.00168.05 C +ATOM 661 CD2 TYR 44 7.781 11.413 -10.775 1.00168.05 C +ATOM 662 CE1 TYR 44 6.516 12.827 -12.801 1.00168.05 C +ATOM 663 CE2 TYR 44 7.436 10.774 -11.948 1.00168.05 C +ATOM 664 CZ TYR 44 6.805 11.473 -12.958 1.00168.05 C +ATOM 665 OH TYR 44 6.460 10.829 -14.124 1.00168.05 O +ATOM 675 N HIS 45 6.652 14.961 -6.797 1.00 73.43 N +ATOM 676 CA HIS 45 6.796 15.807 -5.619 1.00105.71 C +ATOM 677 C HIS 45 5.425 16.021 -4.968 1.00 90.75 C +ATOM 678 O HIS 45 5.242 16.916 -4.139 1.00165.89 O +ATOM 679 CB HIS 45 7.414 17.146 -6.009 1.00158.56 C +ATOM 680 CG HIS 45 8.791 17.019 -6.586 1.00158.56 C +ATOM 681 ND1 HIS 45 9.897 16.708 -5.822 1.00158.56 N +ATOM 682 CD2 HIS 45 9.234 17.150 -7.857 1.00158.56 C +ATOM 683 CE1 HIS 45 10.966 16.666 -6.599 1.00158.56 C +ATOM 684 NE2 HIS 45 10.592 16.930 -7.839 1.00158.56 N +ATOM 692 N GLY 46 4.474 15.175 -5.358 1.00 52.98 N +ATOM 693 CA GLY 46 3.097 15.188 -4.874 1.00 45.39 C +ATOM 694 C GLY 46 2.928 14.329 -3.622 1.00 37.04 C +ATOM 695 O GLY 46 3.894 14.066 -2.901 1.00 52.43 O +ATOM 699 N HIS 47 1.701 13.889 -3.360 1.00 22.23 N +ATOM 700 CA HIS 47 1.435 13.167 -2.111 1.00 21.37 C +ATOM 701 C HIS 47 0.624 11.897 -2.292 1.00 16.47 C +ATOM 702 O HIS 47 -0.197 11.786 -3.189 1.00 14.84 O +ATOM 703 CB HIS 47 0.701 14.089 -1.122 1.00 32.05 C +ATOM 704 CG HIS 47 1.499 15.303 -0.718 1.00 32.05 C +ATOM 705 ND1 HIS 47 2.357 15.316 0.374 1.00 32.05 N +ATOM 706 CD2 HIS 47 1.581 16.534 -1.279 1.00 32.05 C +ATOM 707 CE1 HIS 47 2.934 16.498 0.448 1.00 32.05 C +ATOM 708 NE2 HIS 47 2.475 17.260 -0.538 1.00 32.05 N +ATOM 716 N VAL 48 0.833 10.945 -1.403 1.00 19.33 N +ATOM 717 CA VAL 48 0.075 9.705 -1.393 1.00 18.43 C +ATOM 718 C VAL 48 -0.772 9.620 -0.149 1.00 15.78 C +ATOM 719 O VAL 48 -0.340 9.983 0.945 1.00 18.15 O +ATOM 720 CB VAL 48 0.989 8.480 -1.516 1.00 27.64 C +ATOM 721 CG1 VAL 48 0.168 7.170 -1.417 1.00 27.64 C +ATOM 722 CG2 VAL 48 1.671 8.559 -2.841 1.00 27.64 C +ATOM 732 N ARG 49 -2.015 9.213 -0.339 1.00 13.94 N +ATOM 733 CA ARG 49 -2.961 9.102 0.750 1.00 13.28 C +ATOM 734 C ARG 49 -3.355 7.633 0.937 1.00 10.60 C +ATOM 735 O ARG 49 -3.855 6.975 0.013 1.00 11.66 O +ATOM 736 CB ARG 49 -4.148 10.010 0.454 1.00 19.92 C +ATOM 737 CG ARG 49 -5.208 10.166 1.528 1.00 19.92 C +ATOM 738 CD ARG 49 -6.198 11.193 1.077 1.00 19.92 C +ATOM 739 NE ARG 49 -7.339 11.379 1.946 1.00 19.92 N +ATOM 740 CZ ARG 49 -7.381 12.219 2.997 1.00 19.92 C +ATOM 741 NH1 ARG 49 -6.317 12.910 3.354 1.00 19.92 N +ATOM 742 NH2 ARG 49 -8.508 12.344 3.680 1.00 19.92 N +ATOM 756 N ALA 50 -3.026 7.098 2.120 1.00 10.88 N +ATOM 757 CA ALA 50 -3.255 5.699 2.490 1.00 10.58 C +ATOM 758 C ALA 50 -4.571 5.537 3.235 1.00 7.06 C +ATOM 759 O ALA 50 -4.727 6.016 4.363 1.00 7.89 O +ATOM 760 CB ALA 50 -2.115 5.188 3.342 1.00 15.87 C +ATOM 766 N TRP 51 -5.535 4.892 2.590 1.00 8.88 N +ATOM 767 CA TRP 51 -6.884 4.785 3.145 1.00 9.35 C +ATOM 768 C TRP 51 -7.069 3.580 4.046 1.00 10.72 C +ATOM 769 O TRP 51 -7.127 2.444 3.559 1.00 15.35 O +ATOM 770 CB TRP 51 -7.924 4.730 2.029 1.00 14.02 C +ATOM 771 CG TRP 51 -7.994 5.969 1.178 1.00 14.02 C +ATOM 772 CD1 TRP 51 -7.065 6.941 1.050 1.00 14.02 C +ATOM 773 CD2 TRP 51 -9.069 6.344 0.316 1.00 14.02 C +ATOM 774 NE1 TRP 51 -7.493 7.891 0.158 1.00 14.02 N +ATOM 775 CE2 TRP 51 -8.707 7.543 -0.297 1.00 14.02 C +ATOM 776 CE3 TRP 51 -10.273 5.774 0.010 1.00 14.02 C +ATOM 777 CZ2 TRP 51 -9.520 8.164 -1.212 1.00 14.02 C +ATOM 778 CZ3 TRP 51 -11.068 6.389 -0.904 1.00 14.02 C +ATOM 779 CH2 TRP 51 -10.711 7.543 -1.502 1.00 14.02 C +ATOM 790 N LYS 52 -7.085 3.819 5.363 1.00 13.27 N +ATOM 791 CA LYS 52 -7.190 2.741 6.338 1.00 18.39 C +ATOM 792 C LYS 52 -8.572 2.725 6.993 1.00 28.15 C +ATOM 793 O LYS 52 -8.801 3.358 8.037 1.00 30.24 O +ATOM 794 CB LYS 52 -6.107 2.891 7.407 1.00 27.59 C +ATOM 795 CG LYS 52 -6.056 1.755 8.415 1.00 27.59 C +ATOM 796 CD LYS 52 -4.971 1.992 9.454 1.00 27.59 C +ATOM 797 CE LYS 52 -3.598 1.906 8.844 1.00 27.59 C +ATOM 798 NZ LYS 52 -2.536 2.099 9.854 1.00 27.59 N +ATOM 812 N ASP 53 -9.477 1.915 6.437 1.00 45.87 N +ATOM 813 CA ASP 53 -10.848 1.841 6.942 1.00 73.50 C +ATOM 814 C ASP 53 -10.874 1.378 8.400 1.00 90.98 C +ATOM 815 O ASP 53 -11.688 1.848 9.194 1.00116.96 O +ATOM 816 CB ASP 53 -11.695 0.899 6.078 1.00110.25 C +ATOM 817 CG ASP 53 -12.068 1.471 4.673 1.00110.25 C +ATOM 818 OD1 ASP 53 -11.929 2.664 4.438 1.00110.25 O +ATOM 819 OD2 ASP 53 -12.484 0.689 3.852 1.00110.25 O +ATOM 824 N LEU 54 -9.921 0.518 8.767 1.00 88.88 N +ATOM 825 CA LEU 54 -9.800 -0.043 10.116 1.00123.79 C +ATOM 826 C LEU 54 -9.837 0.994 11.230 1.00122.41 C +ATOM 827 O LEU 54 -10.314 0.707 12.329 1.00168.23 O +ATOM 828 CB LEU 54 -8.481 -0.814 10.285 1.00185.69 C +ATOM 829 CG LEU 54 -8.273 -1.429 11.687 1.00185.69 C +ATOM 830 CD1 LEU 54 -9.345 -2.468 11.938 1.00185.69 C +ATOM 831 CD2 LEU 54 -6.870 -2.021 11.805 1.00185.69 C +ATOM 843 N THR 55 -9.248 2.163 10.987 1.00 84.58 N +ATOM 844 CA THR 55 -9.154 3.179 12.018 1.00 88.73 C +ATOM 845 C THR 55 -9.901 4.436 11.600 1.00 70.97 C +ATOM 846 O THR 55 -9.708 5.501 12.189 1.00 81.17 O +ATOM 847 CB THR 55 -7.688 3.521 12.321 1.00133.09 C +ATOM 848 OG1 THR 55 -7.065 4.016 11.140 1.00133.09 O +ATOM 849 CG2 THR 55 -6.947 2.260 12.776 1.00133.09 C +ATOM 857 N SER 56 -10.706 4.319 10.539 1.00 57.25 N +ATOM 858 CA SER 56 -11.437 5.444 9.971 1.00 57.50 C +ATOM 859 C SER 56 -10.523 6.642 9.717 1.00 41.92 C +ATOM 860 O SER 56 -10.848 7.760 10.118 1.00 54.74 O +ATOM 861 CB SER 56 -12.579 5.855 10.885 1.00 86.25 C +ATOM 862 OG SER 56 -13.493 4.803 11.062 1.00 86.25 O +ATOM 868 N ASP 57 -9.384 6.416 9.047 1.00 27.48 N +ATOM 869 CA ASP 57 -8.428 7.506 8.831 1.00 26.27 C +ATOM 870 C ASP 57 -7.620 7.368 7.541 1.00 19.22 C +ATOM 871 O ASP 57 -7.633 6.325 6.875 1.00 26.96 O +ATOM 872 CB ASP 57 -7.455 7.563 10.037 1.00 39.41 C +ATOM 873 CG ASP 57 -6.704 8.930 10.271 1.00 39.41 C +ATOM 874 OD1 ASP 57 -6.859 9.842 9.482 1.00 39.41 O +ATOM 875 OD2 ASP 57 -5.942 9.017 11.218 1.00 39.41 O +ATOM 880 N MET 58 -6.952 8.468 7.191 1.00 18.74 N +ATOM 881 CA MET 58 -6.110 8.563 6.003 1.00 18.52 C +ATOM 882 C MET 58 -4.734 9.155 6.265 1.00 21.30 C +ATOM 883 O MET 58 -4.600 10.313 6.668 1.00 42.52 O +ATOM 884 CB MET 58 -6.799 9.372 4.915 1.00 27.78 C +ATOM 885 CG MET 58 -7.869 8.626 4.178 1.00 27.78 C +ATOM 886 SD MET 58 -9.451 8.575 4.963 1.00 27.78 S +ATOM 887 CE MET 58 -10.103 7.246 3.992 1.00 27.78 C +ATOM 897 N GLN 59 -3.700 8.372 5.991 1.00 11.16 N +ATOM 898 CA GLN 59 -2.344 8.852 6.235 1.00 14.01 C +ATOM 899 C GLN 59 -1.773 9.487 4.986 1.00 12.88 C +ATOM 900 O GLN 59 -1.761 8.866 3.923 1.00 16.54 O +ATOM 901 CB GLN 59 -1.422 7.718 6.676 1.00 21.02 C +ATOM 902 CG GLN 59 0.001 8.154 6.996 1.00 21.02 C +ATOM 903 CD GLN 59 0.889 6.981 7.362 1.00 21.02 C +ATOM 904 OE1 GLN 59 1.116 6.074 6.531 1.00 21.02 O +ATOM 905 NE2 GLN 59 1.381 6.969 8.597 1.00 21.02 N +ATOM 914 N ASN 60 -1.300 10.719 5.098 1.00 13.78 N +ATOM 915 CA ASN 60 -0.703 11.379 3.944 1.00 18.34 C +ATOM 916 C ASN 60 0.817 11.185 3.989 1.00 18.83 C +ATOM 917 O ASN 60 1.401 11.188 5.081 1.00 29.07 O +ATOM 918 CB ASN 60 -1.066 12.856 3.929 1.00 27.51 C +ATOM 919 CG ASN 60 -2.565 13.122 3.771 1.00 27.51 C +ATOM 920 OD1 ASN 60 -3.279 12.539 2.938 1.00 27.51 O +ATOM 921 ND2 ASN 60 -3.052 14.026 4.594 1.00 27.51 N +ATOM 928 N ALA 61 1.455 11.052 2.824 1.00 18.48 N +ATOM 929 CA ALA 61 2.913 10.936 2.757 1.00 21.88 C +ATOM 930 C ALA 61 3.489 11.453 1.435 1.00 20.84 C +ATOM 931 O ALA 61 2.838 11.424 0.399 1.00 25.08 O +ATOM 932 CB ALA 61 3.311 9.476 2.939 1.00 32.82 C +ATOM 938 N LEU 62 4.748 11.871 1.444 1.00 24.83 N +ATOM 939 CA LEU 62 5.390 12.320 0.209 1.00 25.44 C +ATOM 940 C LEU 62 5.563 11.157 -0.773 1.00 28.50 C +ATOM 941 O LEU 62 6.192 10.137 -0.437 1.00 38.77 O +ATOM 942 CB LEU 62 6.756 12.942 0.520 1.00 38.16 C +ATOM 943 CG LEU 62 7.506 13.571 -0.658 1.00 38.16 C +ATOM 944 CD1 LEU 62 6.739 14.782 -1.164 1.00 38.16 C +ATOM 945 CD2 LEU 62 8.917 13.947 -0.215 1.00 38.16 C +ATOM 957 N VAL 63 5.050 11.350 -1.999 1.00 27.55 N +ATOM 958 CA VAL 63 5.058 10.362 -3.097 1.00 37.28 C +ATOM 959 C VAL 63 6.457 9.932 -3.518 1.00 54.37 C +ATOM 960 O VAL 63 6.650 8.848 -4.068 1.00 71.37 O +ATOM 961 CB VAL 63 4.318 10.932 -4.330 1.00 55.92 C +ATOM 962 CG1 VAL 63 5.134 11.979 -4.979 1.00 55.92 C +ATOM 963 CG2 VAL 63 4.041 9.850 -5.347 1.00 55.92 C +ATOM 973 N ARG 64 7.432 10.777 -3.221 1.00 62.63 N +ATOM 974 CA ARG 64 8.826 10.593 -3.573 1.00 92.55 C +ATOM 975 C ARG 64 9.537 9.526 -2.743 1.00117.08 C +ATOM 976 O ARG 64 10.691 9.198 -3.021 1.00158.72 O +ATOM 977 CB ARG 64 9.567 11.908 -3.416 1.00138.82 C +ATOM 978 CG ARG 64 10.982 11.923 -3.914 1.00138.82 C +ATOM 979 CD ARG 64 11.550 13.300 -3.871 1.00138.82 C +ATOM 980 NE ARG 64 12.934 13.329 -4.326 1.00138.82 N +ATOM 981 CZ ARG 64 13.304 13.411 -5.619 1.00138.82 C +ATOM 982 NH1 ARG 64 12.385 13.465 -6.559 1.00138.82 N +ATOM 983 NH2 ARG 64 14.587 13.430 -5.940 1.00138.82 N +ATOM 997 N GLY 65 8.876 8.975 -1.723 1.00105.68 N +ATOM 998 CA GLY 65 9.545 7.940 -0.950 1.00141.87 C +ATOM 999 C GLY 65 8.762 7.419 0.245 1.00101.48 C +ATOM 1000 O GLY 65 9.275 6.592 0.997 1.00124.13 O +ATOM 1004 N GLY 66 7.521 7.865 0.428 1.00 67.61 N +ATOM 1005 CA GLY 66 6.726 7.368 1.543 1.00 64.04 C +ATOM 1006 C GLY 66 7.057 8.088 2.837 1.00 46.61 C +ATOM 1007 O GLY 66 7.117 7.476 3.905 1.00 65.44 O +ATOM 1011 N TYR 67 7.312 9.390 2.742 1.00 36.12 N +ATOM 1012 CA TYR 67 7.664 10.143 3.951 1.00 37.98 C +ATOM 1013 C TYR 67 6.395 10.637 4.578 1.00 19.91 C +ATOM 1014 O TYR 67 5.678 11.434 3.990 1.00 28.54 O +ATOM 1015 CB TYR 67 8.597 11.301 3.652 1.00 56.97 C +ATOM 1016 CG TYR 67 9.925 10.857 3.147 1.00 56.97 C +ATOM 1017 CD1 TYR 67 10.117 10.658 1.786 1.00 56.97 C +ATOM 1018 CD2 TYR 67 10.956 10.642 4.032 1.00 56.97 C +ATOM 1019 CE1 TYR 67 11.344 10.256 1.321 1.00 56.97 C +ATOM 1020 CE2 TYR 67 12.186 10.230 3.567 1.00 56.97 C +ATOM 1021 CZ TYR 67 12.382 10.038 2.216 1.00 56.97 C +ATOM 1022 OH TYR 67 13.611 9.633 1.746 1.00 56.97 O +ATOM 1032 N VAL 68 6.085 10.145 5.758 1.00 27.06 N +ATOM 1033 CA VAL 68 4.793 10.453 6.345 1.00 47.25 C +ATOM 1034 C VAL 68 4.672 11.936 6.654 1.00 52.18 C +ATOM 1035 O VAL 68 5.493 12.507 7.364 1.00 63.42 O +ATOM 1036 CB VAL 68 4.588 9.568 7.584 1.00 70.88 C +ATOM 1037 CG1 VAL 68 3.319 9.941 8.303 1.00 70.88 C +ATOM 1038 CG2 VAL 68 4.547 8.109 7.126 1.00 70.88 C +ATOM 1048 N ASP 69 3.614 12.567 6.154 1.00 81.39 N +ATOM 1049 CA ASP 69 3.429 14.014 6.312 1.00111.37 C +ATOM 1050 C ASP 69 3.217 14.436 7.763 1.00101.00 C +ATOM 1051 O ASP 69 3.469 15.581 8.134 1.00 91.43 O +ATOM 1052 CB ASP 69 2.279 14.502 5.425 1.00167.06 C +ATOM 1053 CG ASP 69 2.650 14.553 3.903 1.00167.06 C +ATOM 1054 OD1 ASP 69 3.812 14.481 3.588 1.00167.06 O +ATOM 1055 OD2 ASP 69 1.758 14.649 3.078 1.00167.06 O +ATOM 1060 N ARG 70 2.766 13.502 8.584 1.00144.27 N +ATOM 1061 CA ARG 70 2.528 13.740 9.999 1.00156.33 C +ATOM 1062 C ARG 70 3.779 13.473 10.856 1.00158.66 C +ATOM 1063 O ARG 70 3.739 13.665 12.073 1.00192.58 O +ATOM 1064 CB ARG 70 1.406 12.834 10.501 1.00234.50 C +ATOM 1065 CG ARG 70 0.029 13.081 9.875 1.00234.50 C +ATOM 1066 CD ARG 70 -1.018 12.136 10.415 1.00234.50 C +ATOM 1067 NE ARG 70 -2.318 12.320 9.757 1.00234.50 N +ATOM 1068 CZ ARG 70 -3.445 11.595 10.013 1.00234.50 C +ATOM 1069 NH1 ARG 70 -3.452 10.648 10.925 1.00234.50 N +ATOM 1070 NH2 ARG 70 -4.550 11.834 9.333 1.00234.50 N +ATOM 1084 N LYS 71 4.867 12.973 10.243 1.00175.00 N +ATOM 1085 CA LYS 71 6.075 12.617 10.998 1.00261.83 C +ATOM 1086 C LYS 71 7.379 13.189 10.420 1.00265.06 C +ATOM 1087 O LYS 71 8.252 13.640 11.159 1.00376.86 O +ATOM 1088 CB LYS 71 6.212 11.095 11.073 1.00392.75 C +ATOM 1089 CG LYS 71 5.096 10.382 11.831 1.00392.75 C +ATOM 1090 CD LYS 71 5.332 8.879 11.876 1.00392.75 C +ATOM 1091 CE LYS 71 4.225 8.167 12.639 1.00392.75 C +ATOM 1092 NZ LYS 71 4.443 6.694 12.689 1.00392.75 N +ATOM 1106 N GLY 72 7.528 13.096 9.096 1.00196.74 N +ATOM 1107 CA GLY 72 8.738 13.463 8.359 1.00245.66 C +ATOM 1108 C GLY 72 9.626 12.247 8.076 1.00310.47 C +ATOM 1109 O GLY 72 10.542 12.302 7.252 1.00400.00 O +ATOM 1113 N ASN 73 9.334 11.141 8.743 1.00317.12 N +ATOM 1114 CA ASN 73 10.087 9.910 8.575 1.00400.00 C +ATOM 1115 C ASN 73 9.469 9.019 7.492 1.00400.00 C +ATOM 1116 O ASN 73 8.252 9.055 7.289 1.00302.36 O +ATOM 1117 CB ASN 73 10.153 9.178 9.905 1.00600.00 C +ATOM 1118 CG ASN 73 10.978 9.920 10.917 1.00600.00 C +ATOM 1119 OD1 ASN 73 12.059 10.431 10.596 1.00600.00 O +ATOM 1120 ND2 ASN 73 10.497 9.991 12.132 1.00600.00 N +ATOM 1127 N PRO 74 10.266 8.188 6.802 1.00400.00 N +ATOM 1128 CA PRO 74 9.814 7.211 5.834 1.00400.00 C +ATOM 1129 C PRO 74 9.100 6.054 6.516 1.00400.00 C +ATOM 1130 O PRO 74 9.441 5.692 7.647 1.00400.00 O +ATOM 1131 CB PRO 74 11.114 6.779 5.153 1.00600.00 C +ATOM 1132 CG PRO 74 12.197 7.033 6.178 1.00600.00 C +ATOM 1133 CD PRO 74 11.740 8.266 6.938 1.00600.00 C +ATOM 1141 N LYS 75 8.162 5.447 5.800 1.00400.00 N +ATOM 1142 CA LYS 75 7.474 4.253 6.266 1.00400.00 C +ATOM 1143 C LYS 75 8.013 3.008 5.567 1.00400.00 C +ATOM 1144 O LYS 75 7.389 1.947 5.604 1.00400.00 O +ATOM 1145 OXT LYS 75 9.101 3.055 4.994 1.00 0.00 O +ATOM 1146 CB LYS 75 5.968 4.384 6.036 1.00600.00 C +ATOM 1147 CG LYS 75 5.143 3.197 6.528 1.00600.00 C +ATOM 1148 CD LYS 75 3.655 3.503 6.471 1.00600.00 C +ATOM 1149 CE LYS 75 3.168 3.615 5.035 1.00600.00 C +ATOM 1150 NZ LYS 75 1.708 3.779 4.970 1.00600.00 N +TER 1164 +END