USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 659 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 HIS : no HD1:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -30:sc= 0.603 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot -105:sc= 0.183! USER MOD Single : A 62 HIS : no HD1:sc= -0.469 K(o=-0.47,f=-1.3) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0278 X(o=-0.028,f=-0.028) USER MOD Single : A 71 LYS NZ :NH3+ -166:sc= -2.01! (180deg=-3.06!) USER MOD Single : A 72 SER OG : rot -167:sc= 0.916 USER MOD Single : A 74 THR OG1 : rot -140:sc= 0 USER MOD Single : A 80 SER OG : rot 28:sc= 1.28 USER MOD Single : A 83 GLN : amide:sc= -0.0906 X(o=-0.091,f=0.018) USER MOD Single : A 84 LYS NZ :NH3+ -108:sc= -1.97 (180deg=-4.97!) USER MOD Single : A 85 ASN : amide:sc= 0.221 K(o=0.22,f=-1.2) USER MOD Single : A 86 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0674) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0.0053 X(o=0.0053,f=0) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 98 MET CE :methyl -127:sc= -1.05 (180deg=-4.62!) USER MOD Single : A 100 HIS : no HD1:sc= -2.06 K(o=-2.1,f=-8.5!) USER MOD Single : A 105 HIS :FLIP no HE2:sc= -0.0631 F(o=-0.57,f=-0.063) USER MOD Single : A 108 THR OG1 : rot -83:sc= 0.993 USER MOD Single : A 109 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N HIS A 19 -2.390 -1.330 9.867 1.00 0.00 N ATOM 225 CA HIS A 19 -3.088 -1.681 8.637 1.00 0.00 C ATOM 226 C HIS A 19 -3.457 -3.156 8.614 1.00 0.00 C ATOM 227 O HIS A 19 -3.681 -3.714 7.552 1.00 0.00 O ATOM 228 CB HIS A 19 -2.217 -1.355 7.418 1.00 0.00 C ATOM 229 CG HIS A 19 -1.921 0.104 7.250 1.00 0.00 C ATOM 230 ND1 HIS A 19 -0.895 0.757 7.899 1.00 0.00 N ATOM 231 CD2 HIS A 19 -2.537 1.040 6.483 1.00 0.00 C ATOM 232 CE1 HIS A 19 -0.920 2.042 7.515 1.00 0.00 C ATOM 233 NE2 HIS A 19 -1.897 2.264 6.657 1.00 0.00 N ATOM 0 HA HIS A 19 -4.005 -1.092 8.598 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.276 -1.898 7.502 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.717 -1.719 6.520 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.387 0.863 5.841 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.230 2.797 7.863 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -2.135 3.151 6.212 1.00 0.00 H new ATOM 240 N THR A 20 -3.503 -3.787 9.780 1.00 0.00 N ATOM 241 CA THR A 20 -3.827 -5.208 9.864 1.00 0.00 C ATOM 242 C THR A 20 -5.312 -5.473 9.588 1.00 0.00 C ATOM 243 O THR A 20 -6.181 -5.048 10.351 1.00 0.00 O ATOM 244 CB THR A 20 -3.471 -5.770 11.256 1.00 0.00 C ATOM 245 OG1 THR A 20 -2.130 -5.399 11.605 1.00 0.00 O ATOM 246 CG2 THR A 20 -3.596 -7.287 11.285 1.00 0.00 C ATOM 0 H THR A 20 -3.321 -3.341 10.679 1.00 0.00 H new ATOM 0 HA THR A 20 -3.234 -5.710 9.099 1.00 0.00 H new ATOM 0 HB THR A 20 -4.172 -5.349 11.977 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.911 -5.758 12.490 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.339 -7.654 12.279 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.621 -7.572 11.047 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.918 -7.722 10.551 1.00 0.00 H new ATOM 254 N LEU A 21 -5.586 -6.183 8.494 1.00 0.00 N ATOM 255 CA LEU A 21 -6.950 -6.540 8.114 1.00 0.00 C ATOM 256 C LEU A 21 -6.927 -7.832 7.294 1.00 0.00 C ATOM 257 O LEU A 21 -5.872 -8.238 6.811 1.00 0.00 O ATOM 258 CB LEU A 21 -7.600 -5.408 7.311 1.00 0.00 C ATOM 259 CG LEU A 21 -9.115 -5.532 7.107 1.00 0.00 C ATOM 260 CD1 LEU A 21 -9.842 -5.487 8.442 1.00 0.00 C ATOM 261 CD2 LEU A 21 -9.618 -4.431 6.189 1.00 0.00 C ATOM 0 H LEU A 21 -4.872 -6.525 7.850 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.542 -6.697 9.016 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.394 -4.464 7.815 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.122 -5.358 6.333 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.321 -6.494 6.638 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.915 -5.576 8.275 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.502 -6.311 9.069 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.630 -4.541 8.940 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.695 -4.533 6.054 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.398 -3.459 6.632 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.122 -4.509 5.221 1.00 0.00 H new ATOM 273 N LEU A 22 -8.084 -8.482 7.159 1.00 0.00 N ATOM 274 CA LEU A 22 -8.183 -9.734 6.405 1.00 0.00 C ATOM 275 C LEU A 22 -7.785 -9.548 4.934 1.00 0.00 C ATOM 276 O LEU A 22 -7.010 -10.334 4.392 1.00 0.00 O ATOM 277 CB LEU A 22 -9.609 -10.290 6.495 1.00 0.00 C ATOM 278 CG LEU A 22 -9.847 -11.613 5.761 1.00 0.00 C ATOM 279 CD1 LEU A 22 -9.000 -12.720 6.364 1.00 0.00 C ATOM 280 CD2 LEU A 22 -11.322 -11.985 5.797 1.00 0.00 C ATOM 0 H LEU A 22 -8.965 -8.163 7.561 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.485 -10.443 6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.861 -10.427 7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.297 -9.544 6.097 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.551 -11.486 4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.184 -13.651 5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.945 -12.457 6.283 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.262 -12.848 7.414 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.472 -12.928 5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.645 -12.092 6.833 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.907 -11.202 5.314 1.00 0.00 H new ATOM 292 N PHE A 23 -8.322 -8.511 4.294 1.00 0.00 N ATOM 293 CA PHE A 23 -8.005 -8.236 2.889 1.00 0.00 C ATOM 294 C PHE A 23 -6.806 -7.299 2.784 1.00 0.00 C ATOM 295 O PHE A 23 -5.984 -7.406 1.870 1.00 0.00 O ATOM 296 CB PHE A 23 -9.212 -7.618 2.175 1.00 0.00 C ATOM 297 CG PHE A 23 -10.407 -8.529 2.107 1.00 0.00 C ATOM 298 CD1 PHE A 23 -11.410 -8.453 3.061 1.00 0.00 C ATOM 299 CD2 PHE A 23 -10.527 -9.459 1.087 1.00 0.00 C ATOM 300 CE1 PHE A 23 -12.509 -9.290 3.000 1.00 0.00 C ATOM 301 CE2 PHE A 23 -11.623 -10.297 1.021 1.00 0.00 C ATOM 302 CZ PHE A 23 -12.615 -10.212 1.977 1.00 0.00 C ATOM 0 H PHE A 23 -8.973 -7.851 4.719 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.757 -9.181 2.407 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.495 -6.699 2.689 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -8.920 -7.340 1.162 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.332 -7.732 3.861 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.755 -9.529 0.335 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -13.283 -9.223 3.751 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -11.704 -11.019 0.222 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.473 -10.866 1.925 1.00 0.00 H new ATOM 312 N ASP A 24 -6.728 -6.369 3.723 1.00 0.00 N ATOM 313 CA ASP A 24 -5.634 -5.408 3.785 1.00 0.00 C ATOM 314 C ASP A 24 -4.539 -5.901 4.707 1.00 0.00 C ATOM 315 O ASP A 24 -4.468 -5.483 5.855 1.00 0.00 O ATOM 316 CB ASP A 24 -6.092 -4.009 4.200 1.00 0.00 C ATOM 317 CG ASP A 24 -4.976 -2.988 4.119 1.00 0.00 C ATOM 318 OD1 ASP A 24 -3.969 -3.260 3.434 1.00 0.00 O ATOM 319 OD2 ASP A 24 -5.114 -1.910 4.736 1.00 0.00 O ATOM 0 H ASP A 24 -7.420 -6.258 4.464 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.239 -5.323 2.773 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.916 -3.694 3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.476 -4.043 5.219 1.00 0.00 H new ATOM 324 N LEU A 25 -3.770 -6.871 4.235 1.00 0.00 N ATOM 325 CA LEU A 25 -2.658 -7.429 5.000 1.00 0.00 C ATOM 326 C LEU A 25 -1.796 -6.298 5.596 1.00 0.00 C ATOM 327 O LEU A 25 -1.791 -5.186 5.064 1.00 0.00 O ATOM 328 CB LEU A 25 -1.808 -8.313 4.081 1.00 0.00 C ATOM 329 CG LEU A 25 -2.556 -9.495 3.457 1.00 0.00 C ATOM 330 CD1 LEU A 25 -1.684 -10.202 2.431 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.016 -10.470 4.534 1.00 0.00 C ATOM 0 H LEU A 25 -3.896 -7.294 3.315 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.050 -8.029 5.821 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.401 -7.695 3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.961 -8.696 4.650 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.438 -9.108 2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.234 -11.038 2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.411 -9.502 1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.781 -10.573 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.545 -11.302 4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.150 -10.848 5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.683 -9.958 5.228 1.00 0.00 H new ATOM 343 N PRO A 26 -1.086 -6.575 6.721 1.00 0.00 N ATOM 344 CA PRO A 26 -0.228 -5.603 7.442 1.00 0.00 C ATOM 345 C PRO A 26 0.572 -4.649 6.537 1.00 0.00 C ATOM 346 O PRO A 26 0.709 -4.885 5.335 1.00 0.00 O ATOM 347 CB PRO A 26 0.735 -6.509 8.239 1.00 0.00 C ATOM 348 CG PRO A 26 0.335 -7.923 7.945 1.00 0.00 C ATOM 349 CD PRO A 26 -1.062 -7.872 7.399 1.00 0.00 C ATOM 0 HA PRO A 26 -0.839 -4.931 8.045 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.769 -6.330 7.944 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.668 -6.301 9.307 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.016 -8.376 7.224 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.376 -8.532 8.848 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.260 -8.694 6.711 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.810 -7.931 8.190 1.00 0.00 H new ATOM 357 N PRO A 27 1.147 -3.564 7.133 1.00 0.00 N ATOM 358 CA PRO A 27 1.922 -2.534 6.415 1.00 0.00 C ATOM 359 C PRO A 27 2.964 -3.060 5.434 1.00 0.00 C ATOM 360 O PRO A 27 3.525 -2.286 4.683 1.00 0.00 O ATOM 361 CB PRO A 27 2.622 -1.762 7.523 1.00 0.00 C ATOM 362 CG PRO A 27 1.718 -1.886 8.688 1.00 0.00 C ATOM 363 CD PRO A 27 1.057 -3.238 8.573 1.00 0.00 C ATOM 0 HA PRO A 27 1.247 -1.949 5.791 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.606 -2.180 7.738 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.772 -0.718 7.246 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.274 -1.804 9.622 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.974 -1.089 8.689 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.567 -3.984 9.183 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.021 -3.205 8.910 1.00 0.00 H new ATOM 371 N ALA A 28 3.229 -4.358 5.442 1.00 0.00 N ATOM 372 CA ALA A 28 4.195 -4.933 4.521 1.00 0.00 C ATOM 373 C ALA A 28 3.823 -4.574 3.082 1.00 0.00 C ATOM 374 O ALA A 28 4.700 -4.368 2.244 1.00 0.00 O ATOM 375 CB ALA A 28 4.259 -6.444 4.695 1.00 0.00 C ATOM 0 H ALA A 28 2.791 -5.029 6.073 1.00 0.00 H new ATOM 0 HA ALA A 28 5.180 -4.521 4.741 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.987 -6.860 3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.558 -6.680 5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.278 -6.875 4.495 1.00 0.00 H new ATOM 381 N LEU A 29 2.519 -4.501 2.794 1.00 0.00 N ATOM 382 CA LEU A 29 2.077 -4.140 1.453 1.00 0.00 C ATOM 383 C LEU A 29 1.476 -2.723 1.375 1.00 0.00 C ATOM 384 O LEU A 29 2.155 -1.797 0.948 1.00 0.00 O ATOM 385 CB LEU A 29 1.080 -5.164 0.918 1.00 0.00 C ATOM 386 CG LEU A 29 1.279 -5.518 -0.555 1.00 0.00 C ATOM 387 CD1 LEU A 29 2.706 -5.980 -0.793 1.00 0.00 C ATOM 388 CD2 LEU A 29 0.290 -6.588 -0.988 1.00 0.00 C ATOM 0 H LEU A 29 1.768 -4.684 3.460 1.00 0.00 H new ATOM 0 HA LEU A 29 2.969 -4.141 0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.156 -6.074 1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.070 -4.777 1.054 1.00 0.00 H new ATOM 0 HG LEU A 29 1.097 -4.626 -1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.837 -6.230 -1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.397 -5.182 -0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.910 -6.860 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.448 -6.826 -2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.438 -7.485 -0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.727 -6.222 -0.848 1.00 0.00 H new ATOM 400 N LEU A 30 0.220 -2.543 1.816 1.00 0.00 N ATOM 401 CA LEU A 30 -0.436 -1.226 1.736 1.00 0.00 C ATOM 402 C LEU A 30 0.273 -0.139 2.546 1.00 0.00 C ATOM 403 O LEU A 30 0.591 0.915 2.003 1.00 0.00 O ATOM 404 CB LEU A 30 -1.915 -1.289 2.174 1.00 0.00 C ATOM 405 CG LEU A 30 -2.925 -0.843 1.107 1.00 0.00 C ATOM 406 CD1 LEU A 30 -4.291 -0.608 1.727 1.00 0.00 C ATOM 407 CD2 LEU A 30 -2.449 0.421 0.399 1.00 0.00 C ATOM 0 H LEU A 30 -0.354 -3.280 2.226 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.376 -0.954 0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.148 -2.312 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.044 -0.665 3.059 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.006 -1.642 0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.992 -0.293 0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.647 -1.531 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.216 0.169 2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.182 0.716 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.332 1.224 1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.492 0.228 -0.085 1.00 0.00 H new ATOM 419 N GLY A 31 0.539 -0.397 3.825 1.00 0.00 N ATOM 420 CA GLY A 31 1.160 0.620 4.669 1.00 0.00 C ATOM 421 C GLY A 31 2.520 1.105 4.189 1.00 0.00 C ATOM 422 O GLY A 31 2.742 2.310 4.067 1.00 0.00 O ATOM 0 H GLY A 31 0.339 -1.282 4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.488 1.476 4.737 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.268 0.219 5.677 1.00 0.00 H new ATOM 426 N GLU A 32 3.421 0.177 3.902 1.00 0.00 N ATOM 427 CA GLU A 32 4.766 0.516 3.447 1.00 0.00 C ATOM 428 C GLU A 32 4.771 1.128 2.047 1.00 0.00 C ATOM 429 O GLU A 32 5.465 2.115 1.806 1.00 0.00 O ATOM 430 CB GLU A 32 5.647 -0.732 3.497 1.00 0.00 C ATOM 431 CG GLU A 32 7.088 -0.509 3.053 1.00 0.00 C ATOM 432 CD GLU A 32 7.890 0.326 4.032 1.00 0.00 C ATOM 433 OE1 GLU A 32 7.338 0.709 5.085 1.00 0.00 O ATOM 434 OE2 GLU A 32 9.079 0.573 3.758 1.00 0.00 O ATOM 0 H GLU A 32 3.245 -0.825 3.976 1.00 0.00 H new ATOM 0 HA GLU A 32 5.167 1.276 4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.650 -1.118 4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.201 -1.501 2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.576 -1.475 2.924 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.090 -0.019 2.080 1.00 0.00 H new ATOM 441 N LEU A 33 3.998 0.550 1.128 1.00 0.00 N ATOM 442 CA LEU A 33 3.956 1.061 -0.238 1.00 0.00 C ATOM 443 C LEU A 33 3.295 2.435 -0.316 1.00 0.00 C ATOM 444 O LEU A 33 3.745 3.296 -1.064 1.00 0.00 O ATOM 445 CB LEU A 33 3.266 0.073 -1.189 1.00 0.00 C ATOM 446 CG LEU A 33 4.023 -1.237 -1.421 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.190 -2.199 -2.253 1.00 0.00 C ATOM 448 CD2 LEU A 33 5.362 -0.973 -2.095 1.00 0.00 C ATOM 0 H LEU A 33 3.402 -0.259 1.302 1.00 0.00 H new ATOM 0 HA LEU A 33 4.991 1.175 -0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.278 -0.161 -0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.115 0.563 -2.151 1.00 0.00 H new ATOM 0 HG LEU A 33 4.211 -1.696 -0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.747 -3.124 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.258 -2.418 -1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.967 -1.746 -3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.884 -1.917 -2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.196 -0.488 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.967 -0.325 -1.461 1.00 0.00 H new ATOM 460 N CYS A 34 2.231 2.654 0.457 1.00 0.00 N ATOM 461 CA CYS A 34 1.547 3.946 0.428 1.00 0.00 C ATOM 462 C CYS A 34 2.388 5.037 1.095 1.00 0.00 C ATOM 463 O CYS A 34 2.268 6.210 0.753 1.00 0.00 O ATOM 464 CB CYS A 34 0.174 3.865 1.107 1.00 0.00 C ATOM 465 SG CYS A 34 0.226 3.775 2.913 1.00 0.00 S ATOM 0 H CYS A 34 1.831 1.969 1.098 1.00 0.00 H new ATOM 0 HA CYS A 34 1.404 4.207 -0.621 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.411 4.738 0.817 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.352 2.989 0.728 1.00 0.00 H new ATOM 0 HG CYS A 34 1.314 3.169 3.286 1.00 0.00 H new ATOM 471 N ALA A 35 3.232 4.646 2.049 1.00 0.00 N ATOM 472 CA ALA A 35 4.075 5.604 2.762 1.00 0.00 C ATOM 473 C ALA A 35 5.387 5.900 2.030 1.00 0.00 C ATOM 474 O ALA A 35 5.682 7.053 1.715 1.00 0.00 O ATOM 475 CB ALA A 35 4.363 5.105 4.169 1.00 0.00 C ATOM 0 H ALA A 35 3.350 3.677 2.345 1.00 0.00 H new ATOM 0 HA ALA A 35 3.519 6.540 2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.992 5.827 4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.425 4.983 4.711 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.879 4.146 4.117 1.00 0.00 H new ATOM 481 N VAL A 36 6.171 4.855 1.770 1.00 0.00 N ATOM 482 CA VAL A 36 7.470 5.005 1.108 1.00 0.00 C ATOM 483 C VAL A 36 7.356 5.531 -0.328 1.00 0.00 C ATOM 484 O VAL A 36 8.098 6.438 -0.715 1.00 0.00 O ATOM 485 CB VAL A 36 8.273 3.682 1.148 1.00 0.00 C ATOM 486 CG1 VAL A 36 9.504 3.752 0.250 1.00 0.00 C ATOM 487 CG2 VAL A 36 8.687 3.384 2.578 1.00 0.00 C ATOM 0 H VAL A 36 5.930 3.893 2.007 1.00 0.00 H new ATOM 0 HA VAL A 36 8.014 5.761 1.673 1.00 0.00 H new ATOM 0 HB VAL A 36 7.635 2.881 0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.046 2.807 0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.194 3.938 -0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.153 4.561 0.585 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.252 2.453 2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.308 4.197 2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.798 3.288 3.202 1.00 0.00 H new ATOM 497 N LEU A 37 6.430 4.985 -1.113 1.00 0.00 N ATOM 498 CA LEU A 37 6.262 5.432 -2.498 1.00 0.00 C ATOM 499 C LEU A 37 5.660 6.833 -2.550 1.00 0.00 C ATOM 500 O LEU A 37 5.788 7.533 -3.549 1.00 0.00 O ATOM 501 CB LEU A 37 5.384 4.469 -3.297 1.00 0.00 C ATOM 502 CG LEU A 37 5.957 3.073 -3.524 1.00 0.00 C ATOM 503 CD1 LEU A 37 4.910 2.180 -4.162 1.00 0.00 C ATOM 504 CD2 LEU A 37 7.198 3.141 -4.399 1.00 0.00 C ATOM 0 H LEU A 37 5.792 4.244 -0.822 1.00 0.00 H new ATOM 0 HA LEU A 37 7.254 5.452 -2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.428 4.369 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.178 4.918 -4.269 1.00 0.00 H new ATOM 0 HG LEU A 37 6.241 2.651 -2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.328 1.186 -4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.043 2.109 -3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.606 2.603 -5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.592 2.136 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.940 3.578 -5.364 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.953 3.758 -3.912 1.00 0.00 H new ATOM 516 N ASP A 38 4.978 7.227 -1.483 1.00 0.00 N ATOM 517 CA ASP A 38 4.360 8.550 -1.412 1.00 0.00 C ATOM 518 C ASP A 38 5.415 9.650 -1.518 1.00 0.00 C ATOM 519 O ASP A 38 5.179 10.698 -2.117 1.00 0.00 O ATOM 520 CB ASP A 38 3.579 8.705 -0.104 1.00 0.00 C ATOM 521 CG ASP A 38 2.678 9.920 -0.098 1.00 0.00 C ATOM 522 OD1 ASP A 38 2.341 10.417 -1.191 1.00 0.00 O ATOM 523 OD2 ASP A 38 2.302 10.373 1.005 1.00 0.00 O ATOM 0 H ASP A 38 4.837 6.651 -0.653 1.00 0.00 H new ATOM 0 HA ASP A 38 3.672 8.646 -2.252 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.977 7.812 0.062 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.281 8.775 0.727 1.00 0.00 H new ATOM 528 N SER A 39 6.579 9.400 -0.927 1.00 0.00 N ATOM 529 CA SER A 39 7.681 10.358 -0.945 1.00 0.00 C ATOM 530 C SER A 39 8.557 10.167 -2.184 1.00 0.00 C ATOM 531 O SER A 39 9.654 10.719 -2.273 1.00 0.00 O ATOM 532 CB SER A 39 8.528 10.210 0.320 1.00 0.00 C ATOM 533 OG SER A 39 7.750 10.444 1.483 1.00 0.00 O ATOM 0 H SER A 39 6.785 8.536 -0.426 1.00 0.00 H new ATOM 0 HA SER A 39 7.256 11.361 -0.978 1.00 0.00 H new ATOM 0 HB2 SER A 39 8.956 9.208 0.360 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.361 10.912 0.288 1.00 0.00 H new ATOM 0 HG SER A 39 8.313 10.342 2.279 1.00 0.00 H new ATOM 539 N CYS A 40 8.065 9.366 -3.128 1.00 0.00 N ATOM 540 CA CYS A 40 8.786 9.079 -4.364 1.00 0.00 C ATOM 541 C CYS A 40 9.020 10.331 -5.201 1.00 0.00 C ATOM 542 O CYS A 40 8.175 11.221 -5.278 1.00 0.00 O ATOM 543 CB CYS A 40 8.036 8.045 -5.195 1.00 0.00 C ATOM 544 SG CYS A 40 8.835 7.648 -6.759 1.00 0.00 S ATOM 0 H CYS A 40 7.160 8.901 -3.057 1.00 0.00 H new ATOM 0 HA CYS A 40 9.759 8.682 -4.075 1.00 0.00 H new ATOM 0 HB2 CYS A 40 7.929 7.131 -4.610 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.030 8.414 -5.395 1.00 0.00 H new ATOM 0 HG CYS A 40 8.192 8.221 -7.733 1.00 0.00 H new ATOM 550 N ASP A 41 10.182 10.372 -5.833 1.00 0.00 N ATOM 551 CA ASP A 41 10.575 11.492 -6.676 1.00 0.00 C ATOM 552 C ASP A 41 11.103 10.964 -8.006 1.00 0.00 C ATOM 553 O ASP A 41 12.057 11.494 -8.573 1.00 0.00 O ATOM 554 CB ASP A 41 11.643 12.335 -5.973 1.00 0.00 C ATOM 555 CG ASP A 41 11.742 13.743 -6.532 1.00 0.00 C ATOM 556 OD1 ASP A 41 10.786 14.188 -7.204 1.00 0.00 O ATOM 557 OD2 ASP A 41 12.775 14.402 -6.296 1.00 0.00 O ATOM 0 H ASP A 41 10.880 9.630 -5.777 1.00 0.00 H new ATOM 0 HA ASP A 41 9.708 12.125 -6.862 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.416 12.387 -4.908 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.610 11.842 -6.069 1.00 0.00 H new ATOM 562 N GLY A 42 10.473 9.893 -8.482 1.00 0.00 N ATOM 563 CA GLY A 42 10.868 9.277 -9.737 1.00 0.00 C ATOM 564 C GLY A 42 11.836 8.121 -9.550 1.00 0.00 C ATOM 565 O GLY A 42 12.062 7.347 -10.477 1.00 0.00 O ATOM 0 H GLY A 42 9.689 9.437 -8.015 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.979 8.919 -10.256 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.329 10.030 -10.376 1.00 0.00 H new ATOM 569 N ALA A 43 12.411 8.005 -8.352 1.00 0.00 N ATOM 570 CA ALA A 43 13.360 6.930 -8.050 1.00 0.00 C ATOM 571 C ALA A 43 12.700 5.551 -8.114 1.00 0.00 C ATOM 572 O ALA A 43 13.277 4.602 -8.643 1.00 0.00 O ATOM 573 CB ALA A 43 13.986 7.152 -6.681 1.00 0.00 C ATOM 0 H ALA A 43 12.237 8.642 -7.574 1.00 0.00 H new ATOM 0 HA ALA A 43 14.140 6.955 -8.811 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.689 6.347 -6.468 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.513 8.106 -6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.205 7.162 -5.921 1.00 0.00 H new ATOM 579 N LEU A 44 11.494 5.447 -7.561 1.00 0.00 N ATOM 580 CA LEU A 44 10.756 4.184 -7.566 1.00 0.00 C ATOM 581 C LEU A 44 9.547 4.275 -8.486 1.00 0.00 C ATOM 582 O LEU A 44 9.071 3.270 -9.011 1.00 0.00 O ATOM 583 CB LEU A 44 10.301 3.818 -6.144 1.00 0.00 C ATOM 584 CG LEU A 44 11.439 3.535 -5.153 1.00 0.00 C ATOM 585 CD1 LEU A 44 10.902 3.440 -3.736 1.00 0.00 C ATOM 586 CD2 LEU A 44 12.166 2.252 -5.530 1.00 0.00 C ATOM 0 H LEU A 44 11.007 6.219 -7.105 1.00 0.00 H new ATOM 0 HA LEU A 44 11.423 3.404 -7.935 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.692 4.633 -5.752 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.660 2.938 -6.199 1.00 0.00 H new ATOM 0 HG LEU A 44 12.147 4.362 -5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.723 3.239 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.423 4.381 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.173 2.632 -3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.970 2.066 -4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.465 1.418 -5.512 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.585 2.352 -6.531 1.00 0.00 H new ATOM 598 N GLY A 45 9.066 5.498 -8.678 1.00 0.00 N ATOM 599 CA GLY A 45 7.905 5.734 -9.514 1.00 0.00 C ATOM 600 C GLY A 45 6.610 5.373 -8.811 1.00 0.00 C ATOM 601 O GLY A 45 6.347 4.195 -8.579 1.00 0.00 O ATOM 0 H GLY A 45 9.466 6.340 -8.263 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.877 6.784 -9.806 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.994 5.150 -10.430 1.00 0.00 H new ATOM 605 N TRP A 46 5.803 6.380 -8.451 1.00 0.00 N ATOM 606 CA TRP A 46 4.516 6.118 -7.790 1.00 0.00 C ATOM 607 C TRP A 46 3.684 5.119 -8.604 1.00 0.00 C ATOM 608 O TRP A 46 3.165 4.142 -8.061 1.00 0.00 O ATOM 609 CB TRP A 46 3.724 7.417 -7.570 1.00 0.00 C ATOM 610 CG TRP A 46 3.844 8.427 -8.678 1.00 0.00 C ATOM 611 CD1 TRP A 46 3.082 8.508 -9.806 1.00 0.00 C ATOM 612 CD2 TRP A 46 4.772 9.516 -8.743 1.00 0.00 C ATOM 613 NE1 TRP A 46 3.487 9.572 -10.575 1.00 0.00 N ATOM 614 CE2 TRP A 46 4.522 10.207 -9.944 1.00 0.00 C ATOM 615 CE3 TRP A 46 5.794 9.974 -7.905 1.00 0.00 C ATOM 616 CZ2 TRP A 46 5.255 11.328 -10.325 1.00 0.00 C ATOM 617 CZ3 TRP A 46 6.520 11.087 -8.284 1.00 0.00 C ATOM 618 CH2 TRP A 46 6.246 11.754 -9.484 1.00 0.00 C ATOM 0 H TRP A 46 6.012 7.367 -8.602 1.00 0.00 H new ATOM 0 HA TRP A 46 4.729 5.684 -6.813 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.671 7.166 -7.439 1.00 0.00 H new ATOM 0 HB3 TRP A 46 4.060 7.877 -6.641 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.277 7.834 -10.058 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.082 9.844 -11.471 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.012 9.466 -6.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.048 11.843 -11.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 7.312 11.448 -7.644 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.829 12.623 -9.751 1.00 0.00 H new ATOM 629 N ARG A 47 3.547 5.381 -9.905 1.00 0.00 N ATOM 630 CA ARG A 47 2.819 4.486 -10.803 1.00 0.00 C ATOM 631 C ARG A 47 3.706 3.349 -11.298 1.00 0.00 C ATOM 632 O ARG A 47 3.252 2.516 -12.055 1.00 0.00 O ATOM 633 CB ARG A 47 2.243 5.228 -12.012 1.00 0.00 C ATOM 634 CG ARG A 47 3.299 5.860 -12.907 1.00 0.00 C ATOM 635 CD ARG A 47 2.674 6.604 -14.075 1.00 0.00 C ATOM 636 NE ARG A 47 3.686 7.205 -14.939 1.00 0.00 N ATOM 637 CZ ARG A 47 3.404 7.915 -16.027 1.00 0.00 C ATOM 638 NH1 ARG A 47 4.385 8.431 -16.756 1.00 0.00 N ATOM 639 NH2 ARG A 47 2.143 8.106 -16.389 1.00 0.00 N ATOM 0 H ARG A 47 3.932 6.208 -10.360 1.00 0.00 H new ATOM 0 HA ARG A 47 1.996 4.075 -10.218 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.648 4.532 -12.604 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.566 6.006 -11.660 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.908 6.548 -12.321 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.967 5.086 -13.284 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.061 5.917 -14.657 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.010 7.382 -13.697 1.00 0.00 H new ATOM 0 HE ARG A 47 4.667 7.072 -14.693 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.356 8.283 -16.482 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.168 8.976 -17.591 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.387 7.708 -15.832 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.929 8.651 -17.224 1.00 0.00 H new ATOM 653 N GLY A 48 4.965 3.320 -10.880 1.00 0.00 N ATOM 654 CA GLY A 48 5.879 2.294 -11.364 1.00 0.00 C ATOM 655 C GLY A 48 5.415 0.879 -11.076 1.00 0.00 C ATOM 656 O GLY A 48 5.465 0.021 -11.959 1.00 0.00 O ATOM 0 H GLY A 48 5.371 3.982 -10.219 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.008 2.413 -12.440 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.857 2.446 -10.907 1.00 0.00 H new ATOM 660 N LEU A 49 4.969 0.626 -9.854 1.00 0.00 N ATOM 661 CA LEU A 49 4.487 -0.701 -9.490 1.00 0.00 C ATOM 662 C LEU A 49 3.104 -0.970 -10.088 1.00 0.00 C ATOM 663 O LEU A 49 2.839 -2.048 -10.627 1.00 0.00 O ATOM 664 CB LEU A 49 4.430 -0.845 -7.967 1.00 0.00 C ATOM 665 CG LEU A 49 5.766 -0.682 -7.236 1.00 0.00 C ATOM 666 CD1 LEU A 49 5.560 -0.819 -5.740 1.00 0.00 C ATOM 667 CD2 LEU A 49 6.783 -1.701 -7.726 1.00 0.00 C ATOM 0 H LEU A 49 4.930 1.315 -9.103 1.00 0.00 H new ATOM 0 HA LEU A 49 5.185 -1.433 -9.895 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.730 -0.106 -7.576 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.023 -1.828 -7.728 1.00 0.00 H new ATOM 0 HG LEU A 49 6.156 0.313 -7.451 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.516 -0.702 -5.229 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.868 -0.050 -5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.148 -1.804 -5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.723 -1.563 -7.191 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.406 -2.708 -7.545 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.950 -1.563 -8.794 1.00 0.00 H new ATOM 679 N ALA A 50 2.228 0.030 -9.989 1.00 0.00 N ATOM 680 CA ALA A 50 0.858 -0.073 -10.495 1.00 0.00 C ATOM 681 C ALA A 50 0.781 -0.230 -12.011 1.00 0.00 C ATOM 682 O ALA A 50 -0.032 -1.003 -12.511 1.00 0.00 O ATOM 683 CB ALA A 50 0.061 1.144 -10.076 1.00 0.00 C ATOM 0 H ALA A 50 2.445 0.929 -9.559 1.00 0.00 H new ATOM 0 HA ALA A 50 0.437 -0.979 -10.059 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.957 1.061 -10.456 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.038 1.207 -8.988 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.527 2.042 -10.482 1.00 0.00 H new ATOM 689 N GLU A 51 1.635 0.499 -12.723 1.00 0.00 N ATOM 690 CA GLU A 51 1.644 0.493 -14.182 1.00 0.00 C ATOM 691 C GLU A 51 1.894 -0.912 -14.732 1.00 0.00 C ATOM 692 O GLU A 51 1.232 -1.342 -15.677 1.00 0.00 O ATOM 693 CB GLU A 51 2.716 1.461 -14.709 1.00 0.00 C ATOM 694 CG GLU A 51 2.794 1.546 -16.229 1.00 0.00 C ATOM 695 CD GLU A 51 1.554 2.157 -16.857 1.00 0.00 C ATOM 696 OE1 GLU A 51 0.776 2.811 -16.128 1.00 0.00 O ATOM 697 OE2 GLU A 51 1.364 1.988 -18.078 1.00 0.00 O ATOM 0 H GLU A 51 2.338 1.109 -12.306 1.00 0.00 H new ATOM 0 HA GLU A 51 0.662 0.820 -14.524 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.517 2.456 -14.311 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.688 1.152 -14.324 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.665 2.138 -16.509 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.944 0.546 -16.635 1.00 0.00 H new ATOM 704 N ARG A 52 2.863 -1.615 -14.146 1.00 0.00 N ATOM 705 CA ARG A 52 3.181 -2.974 -14.575 1.00 0.00 C ATOM 706 C ARG A 52 2.029 -3.937 -14.300 1.00 0.00 C ATOM 707 O ARG A 52 1.731 -4.803 -15.122 1.00 0.00 O ATOM 708 CB ARG A 52 4.452 -3.479 -13.884 1.00 0.00 C ATOM 709 CG ARG A 52 5.729 -2.848 -14.415 1.00 0.00 C ATOM 710 CD ARG A 52 6.926 -3.204 -13.550 1.00 0.00 C ATOM 711 NE ARG A 52 8.187 -2.782 -14.156 1.00 0.00 N ATOM 712 CZ ARG A 52 8.641 -1.531 -14.133 1.00 0.00 C ATOM 713 NH1 ARG A 52 9.811 -1.241 -14.688 1.00 0.00 N ATOM 714 NH2 ARG A 52 7.924 -0.572 -13.562 1.00 0.00 N ATOM 0 H ARG A 52 3.437 -1.268 -13.378 1.00 0.00 H new ATOM 0 HA ARG A 52 3.347 -2.939 -15.652 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.377 -3.281 -12.815 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.515 -4.561 -14.004 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.904 -3.184 -15.437 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.614 -1.765 -14.451 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.819 -2.734 -12.572 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.946 -4.281 -13.385 1.00 0.00 H new ATOM 0 HE ARG A 52 8.753 -3.489 -14.625 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.361 -1.976 -15.132 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.160 -0.283 -14.671 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.022 -0.792 -13.139 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.274 0.386 -13.546 1.00 0.00 H new ATOM 851 N ASP A 61 -4.674 9.163 -14.898 1.00 0.00 N ATOM 852 CA ASP A 61 -5.168 10.514 -14.637 1.00 0.00 C ATOM 853 C ASP A 61 -5.436 10.711 -13.146 1.00 0.00 C ATOM 854 O ASP A 61 -5.125 11.758 -12.581 1.00 0.00 O ATOM 855 CB ASP A 61 -6.442 10.779 -15.441 1.00 0.00 C ATOM 856 CG ASP A 61 -6.177 10.973 -16.921 1.00 0.00 C ATOM 857 OD1 ASP A 61 -4.999 11.155 -17.297 1.00 0.00 O ATOM 858 OD2 ASP A 61 -7.149 10.948 -17.704 1.00 0.00 O ATOM 0 HA ASP A 61 -4.402 11.225 -14.948 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.130 9.944 -15.307 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.936 11.667 -15.046 1.00 0.00 H new ATOM 863 N HIS A 62 -6.012 9.687 -12.518 1.00 0.00 N ATOM 864 CA HIS A 62 -6.318 9.721 -11.093 1.00 0.00 C ATOM 865 C HIS A 62 -5.060 9.494 -10.252 1.00 0.00 C ATOM 866 O HIS A 62 -5.012 9.874 -9.079 1.00 0.00 O ATOM 867 CB HIS A 62 -7.386 8.680 -10.748 1.00 0.00 C ATOM 868 CG HIS A 62 -8.200 9.034 -9.538 1.00 0.00 C ATOM 869 ND1 HIS A 62 -9.272 9.897 -9.562 1.00 0.00 N ATOM 870 CD2 HIS A 62 -8.079 8.623 -8.252 1.00 0.00 C ATOM 871 CE1 HIS A 62 -9.757 9.984 -8.317 1.00 0.00 C ATOM 872 NE2 HIS A 62 -9.068 9.230 -7.482 1.00 0.00 N ATOM 0 H HIS A 62 -6.277 8.817 -12.981 1.00 0.00 H new ATOM 0 HA HIS A 62 -6.707 10.712 -10.858 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -8.053 8.559 -11.602 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -6.903 7.717 -10.582 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -7.334 7.934 -7.883 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -10.603 10.593 -8.033 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -9.227 9.115 -6.481 1.00 0.00 H new ATOM 879 N ILE A 63 -4.044 8.867 -10.851 1.00 0.00 N ATOM 880 CA ILE A 63 -2.788 8.605 -10.147 1.00 0.00 C ATOM 881 C ILE A 63 -2.137 9.912 -9.691 1.00 0.00 C ATOM 882 O ILE A 63 -1.634 10.010 -8.576 1.00 0.00 O ATOM 883 CB ILE A 63 -1.791 7.787 -11.011 1.00 0.00 C ATOM 884 CG1 ILE A 63 -2.286 6.348 -11.175 1.00 0.00 C ATOM 885 CG2 ILE A 63 -0.393 7.801 -10.400 1.00 0.00 C ATOM 886 CD1 ILE A 63 -1.491 5.537 -12.177 1.00 0.00 C ATOM 0 H ILE A 63 -4.067 8.534 -11.815 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.036 8.005 -9.271 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.734 8.254 -11.994 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.249 5.849 -10.207 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.331 6.366 -11.484 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.284 7.220 -11.027 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.035 8.828 -10.334 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.428 7.364 -9.402 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.902 4.529 -12.237 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.548 6.012 -13.157 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.450 5.486 -11.859 1.00 0.00 H new ATOM 898 N GLU A 64 -2.145 10.911 -10.556 1.00 0.00 N ATOM 899 CA GLU A 64 -1.562 12.207 -10.223 1.00 0.00 C ATOM 900 C GLU A 64 -2.418 12.963 -9.197 1.00 0.00 C ATOM 901 O GLU A 64 -1.937 13.879 -8.534 1.00 0.00 O ATOM 902 CB GLU A 64 -1.406 13.054 -11.492 1.00 0.00 C ATOM 903 CG GLU A 64 -0.395 12.496 -12.486 1.00 0.00 C ATOM 904 CD GLU A 64 1.002 12.375 -11.906 1.00 0.00 C ATOM 905 OE1 GLU A 64 1.474 13.349 -11.282 1.00 0.00 O ATOM 906 OE2 GLU A 64 1.626 11.307 -12.082 1.00 0.00 O ATOM 0 H GLU A 64 -2.546 10.854 -11.492 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.583 12.027 -9.780 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.376 13.137 -11.983 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.104 14.062 -11.209 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.729 11.515 -12.823 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.363 13.141 -13.364 1.00 0.00 H new ATOM 913 N LYS A 65 -3.692 12.596 -9.092 1.00 0.00 N ATOM 914 CA LYS A 65 -4.621 13.270 -8.181 1.00 0.00 C ATOM 915 C LYS A 65 -4.389 12.974 -6.684 1.00 0.00 C ATOM 916 O LYS A 65 -4.373 13.899 -5.871 1.00 0.00 O ATOM 917 CB LYS A 65 -6.057 12.891 -8.556 1.00 0.00 C ATOM 918 CG LYS A 65 -6.496 13.432 -9.907 1.00 0.00 C ATOM 919 CD LYS A 65 -7.919 13.013 -10.245 1.00 0.00 C ATOM 920 CE LYS A 65 -8.358 13.559 -11.593 1.00 0.00 C ATOM 921 NZ LYS A 65 -9.748 13.148 -11.932 1.00 0.00 N ATOM 0 H LYS A 65 -4.109 11.834 -9.627 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.439 14.338 -8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.147 11.805 -8.562 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.735 13.263 -7.787 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.428 14.520 -9.903 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.817 13.073 -10.681 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.986 11.925 -10.253 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.597 13.368 -9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.293 14.647 -11.583 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.676 13.207 -12.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.010 13.541 -12.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.804 12.110 -11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.402 13.506 -11.207 1.00 0.00 H new ATOM 935 N GLU A 66 -4.206 11.703 -6.306 1.00 0.00 N ATOM 936 CA GLU A 66 -4.035 11.362 -4.880 1.00 0.00 C ATOM 937 C GLU A 66 -2.578 11.385 -4.405 1.00 0.00 C ATOM 938 O GLU A 66 -2.329 11.140 -3.226 1.00 0.00 O ATOM 939 CB GLU A 66 -4.675 10.010 -4.516 1.00 0.00 C ATOM 940 CG GLU A 66 -6.141 9.892 -4.918 1.00 0.00 C ATOM 941 CD GLU A 66 -7.029 10.926 -4.252 1.00 0.00 C ATOM 942 OE1 GLU A 66 -6.808 11.219 -3.058 1.00 0.00 O ATOM 943 OE2 GLU A 66 -7.942 11.445 -4.925 1.00 0.00 O ATOM 0 H GLU A 66 -4.172 10.909 -6.945 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.562 12.157 -4.352 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.111 9.211 -4.997 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.590 9.857 -3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.224 9.995 -6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.502 8.895 -4.664 1.00 0.00 H new ATOM 950 N VAL A 67 -1.612 11.639 -5.293 1.00 0.00 N ATOM 951 CA VAL A 67 -0.198 11.659 -4.877 1.00 0.00 C ATOM 952 C VAL A 67 0.046 12.639 -3.724 1.00 0.00 C ATOM 953 O VAL A 67 0.904 12.402 -2.875 1.00 0.00 O ATOM 954 CB VAL A 67 0.766 12.000 -6.037 1.00 0.00 C ATOM 955 CG1 VAL A 67 0.820 10.866 -7.046 1.00 0.00 C ATOM 956 CG2 VAL A 67 0.376 13.305 -6.711 1.00 0.00 C ATOM 0 H VAL A 67 -1.772 11.830 -6.282 1.00 0.00 H new ATOM 0 HA VAL A 67 0.014 10.644 -4.541 1.00 0.00 H new ATOM 0 HB VAL A 67 1.763 12.128 -5.615 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.504 11.129 -7.853 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.170 9.958 -6.555 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.176 10.696 -7.456 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.072 13.518 -7.522 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.634 13.220 -7.112 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.409 14.115 -5.982 1.00 0.00 H new ATOM 966 N ASP A 68 -0.714 13.728 -3.688 1.00 0.00 N ATOM 967 CA ASP A 68 -0.578 14.719 -2.620 1.00 0.00 C ATOM 968 C ASP A 68 -1.473 14.355 -1.436 1.00 0.00 C ATOM 969 O ASP A 68 -1.419 14.993 -0.384 1.00 0.00 O ATOM 970 CB ASP A 68 -0.935 16.120 -3.125 1.00 0.00 C ATOM 971 CG ASP A 68 0.099 16.689 -4.077 1.00 0.00 C ATOM 972 OD1 ASP A 68 1.216 16.137 -4.146 1.00 0.00 O ATOM 973 OD2 ASP A 68 -0.210 17.690 -4.758 1.00 0.00 O ATOM 0 H ASP A 68 -1.429 13.949 -4.382 1.00 0.00 H new ATOM 0 HA ASP A 68 0.462 14.720 -2.295 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.902 16.084 -3.627 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.044 16.791 -2.273 1.00 0.00 H new ATOM 978 N GLN A 69 -2.280 13.313 -1.614 1.00 0.00 N ATOM 979 CA GLN A 69 -3.213 12.864 -0.587 1.00 0.00 C ATOM 980 C GLN A 69 -2.767 11.547 0.053 1.00 0.00 C ATOM 981 O GLN A 69 -3.566 10.861 0.688 1.00 0.00 O ATOM 982 CB GLN A 69 -4.613 12.694 -1.180 1.00 0.00 C ATOM 983 CG GLN A 69 -5.179 13.963 -1.799 1.00 0.00 C ATOM 984 CD GLN A 69 -5.312 15.100 -0.805 1.00 0.00 C ATOM 985 OE1 GLN A 69 -4.694 16.153 -0.962 1.00 0.00 O ATOM 986 NE2 GLN A 69 -6.119 14.896 0.227 1.00 0.00 N ATOM 0 H GLN A 69 -2.305 12.759 -2.470 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.231 13.629 0.189 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -4.583 11.913 -1.940 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -5.289 12.351 -0.397 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.535 14.279 -2.619 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.158 13.746 -2.227 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -6.613 14.009 0.320 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -6.246 15.626 0.928 1.00 0.00 H new ATOM 995 N GLY A 70 -1.493 11.200 -0.104 1.00 0.00 N ATOM 996 CA GLY A 70 -0.995 9.965 0.483 1.00 0.00 C ATOM 997 C GLY A 70 -0.778 8.825 -0.506 1.00 0.00 C ATOM 998 O GLY A 70 -0.829 7.664 -0.101 1.00 0.00 O ATOM 0 H GLY A 70 -0.802 11.744 -0.621 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.051 10.174 0.987 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.698 9.634 1.248 1.00 0.00 H new ATOM 1002 N LYS A 71 -0.584 9.170 -1.796 1.00 0.00 N ATOM 1003 CA LYS A 71 -0.291 8.204 -2.884 1.00 0.00 C ATOM 1004 C LYS A 71 -1.546 7.779 -3.644 1.00 0.00 C ATOM 1005 O LYS A 71 -2.628 7.644 -3.079 1.00 0.00 O ATOM 1006 CB LYS A 71 0.459 6.952 -2.378 1.00 0.00 C ATOM 1007 CG LYS A 71 0.606 5.821 -3.402 1.00 0.00 C ATOM 1008 CD LYS A 71 1.451 6.227 -4.612 1.00 0.00 C ATOM 1009 CE LYS A 71 2.818 6.726 -4.205 1.00 0.00 C ATOM 1010 NZ LYS A 71 2.962 8.196 -4.399 1.00 0.00 N ATOM 0 H LYS A 71 -0.626 10.137 -2.118 1.00 0.00 H new ATOM 0 HA LYS A 71 0.362 8.740 -3.573 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.453 7.253 -2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.064 6.564 -1.504 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.061 4.956 -2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.383 5.513 -3.741 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.561 5.373 -5.281 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.933 7.005 -5.172 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.995 6.480 -3.158 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.580 6.208 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.967 8.458 -4.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.592 8.461 -5.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.428 8.698 -3.661 1.00 0.00 H new ATOM 1024 N SER A 72 -1.374 7.598 -4.948 1.00 0.00 N ATOM 1025 CA SER A 72 -2.443 7.158 -5.829 1.00 0.00 C ATOM 1026 C SER A 72 -1.957 6.031 -6.726 1.00 0.00 C ATOM 1027 O SER A 72 -2.724 5.156 -7.091 1.00 0.00 O ATOM 1028 CB SER A 72 -2.923 8.307 -6.691 1.00 0.00 C ATOM 1029 OG SER A 72 -4.293 8.162 -7.027 1.00 0.00 O ATOM 0 H SER A 72 -0.485 7.753 -5.423 1.00 0.00 H new ATOM 0 HA SER A 72 -3.267 6.801 -5.212 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.774 9.248 -6.162 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.326 8.355 -7.602 1.00 0.00 H new ATOM 0 HG SER A 72 -4.523 8.791 -7.743 1.00 0.00 H new ATOM 1035 N GLY A 73 -0.675 6.058 -7.082 1.00 0.00 N ATOM 1036 CA GLY A 73 -0.130 5.024 -7.947 1.00 0.00 C ATOM 1037 C GLY A 73 -0.439 3.624 -7.452 1.00 0.00 C ATOM 1038 O GLY A 73 -1.214 2.901 -8.070 1.00 0.00 O ATOM 0 H GLY A 73 -0.008 6.772 -6.790 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.534 5.147 -8.952 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.950 5.149 -8.020 1.00 0.00 H new ATOM 1042 N THR A 74 0.140 3.254 -6.325 1.00 0.00 N ATOM 1043 CA THR A 74 -0.092 1.941 -5.753 1.00 0.00 C ATOM 1044 C THR A 74 -1.331 1.937 -4.857 1.00 0.00 C ATOM 1045 O THR A 74 -2.083 0.961 -4.829 1.00 0.00 O ATOM 1046 CB THR A 74 1.139 1.459 -4.961 1.00 0.00 C ATOM 1047 OG1 THR A 74 2.298 1.524 -5.798 1.00 0.00 O ATOM 1048 CG2 THR A 74 0.958 0.030 -4.471 1.00 0.00 C ATOM 0 H THR A 74 0.775 3.844 -5.787 1.00 0.00 H new ATOM 0 HA THR A 74 -0.266 1.251 -6.579 1.00 0.00 H new ATOM 0 HB THR A 74 1.259 2.108 -4.094 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.861 0.738 -5.639 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.844 -0.279 -3.916 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.085 -0.024 -3.820 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.815 -0.632 -5.325 1.00 0.00 H new ATOM 1056 N ARG A 75 -1.547 3.044 -4.139 1.00 0.00 N ATOM 1057 CA ARG A 75 -2.672 3.150 -3.210 1.00 0.00 C ATOM 1058 C ARG A 75 -4.021 3.006 -3.916 1.00 0.00 C ATOM 1059 O ARG A 75 -4.871 2.238 -3.474 1.00 0.00 O ATOM 1060 CB ARG A 75 -2.638 4.489 -2.465 1.00 0.00 C ATOM 1061 CG ARG A 75 -3.681 4.577 -1.366 1.00 0.00 C ATOM 1062 CD ARG A 75 -3.608 5.886 -0.607 1.00 0.00 C ATOM 1063 NE ARG A 75 -4.614 5.958 0.448 1.00 0.00 N ATOM 1064 CZ ARG A 75 -4.773 7.009 1.244 1.00 0.00 C ATOM 1065 NH1 ARG A 75 -5.713 6.999 2.181 1.00 0.00 N ATOM 1066 NH2 ARG A 75 -3.991 8.069 1.101 1.00 0.00 N ATOM 0 H ARG A 75 -0.958 3.876 -4.184 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.567 2.329 -2.501 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.648 4.634 -2.033 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.797 5.300 -3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.674 4.467 -1.801 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.544 3.749 -0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.615 5.998 -0.171 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.748 6.716 -1.300 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.230 5.156 0.581 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.315 6.183 2.291 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.833 7.807 2.791 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.269 8.077 0.381 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.111 8.877 1.711 1.00 0.00 H new ATOM 1080 N GLU A 76 -4.207 3.729 -5.022 1.00 0.00 N ATOM 1081 CA GLU A 76 -5.465 3.676 -5.768 1.00 0.00 C ATOM 1082 C GLU A 76 -5.739 2.271 -6.290 1.00 0.00 C ATOM 1083 O GLU A 76 -6.866 1.784 -6.214 1.00 0.00 O ATOM 1084 CB GLU A 76 -5.441 4.667 -6.934 1.00 0.00 C ATOM 1085 CG GLU A 76 -6.707 4.662 -7.772 1.00 0.00 C ATOM 1086 CD GLU A 76 -6.610 5.539 -9.002 1.00 0.00 C ATOM 1087 OE1 GLU A 76 -5.554 6.177 -9.198 1.00 0.00 O ATOM 1088 OE2 GLU A 76 -7.590 5.585 -9.774 1.00 0.00 O ATOM 0 H GLU A 76 -3.506 4.355 -5.419 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.267 3.951 -5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.281 5.671 -6.541 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.591 4.437 -7.576 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.928 3.640 -8.079 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.543 4.998 -7.158 1.00 0.00 H new ATOM 1095 N LEU A 77 -4.704 1.630 -6.819 1.00 0.00 N ATOM 1096 CA LEU A 77 -4.829 0.282 -7.361 1.00 0.00 C ATOM 1097 C LEU A 77 -5.240 -0.715 -6.272 1.00 0.00 C ATOM 1098 O LEU A 77 -6.127 -1.542 -6.482 1.00 0.00 O ATOM 1099 CB LEU A 77 -3.505 -0.140 -8.009 1.00 0.00 C ATOM 1100 CG LEU A 77 -3.488 -1.535 -8.637 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -4.524 -1.639 -9.748 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -2.102 -1.848 -9.173 1.00 0.00 C ATOM 0 H LEU A 77 -3.765 2.024 -6.884 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.612 0.284 -8.119 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.251 0.588 -8.779 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.721 -0.092 -7.254 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.741 -2.265 -7.868 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.495 -2.639 -10.181 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.516 -1.450 -9.339 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.304 -0.903 -10.521 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.100 -2.843 -9.618 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.830 -1.112 -9.929 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.380 -1.814 -8.357 1.00 0.00 H new ATOM 1114 N LEU A 78 -4.592 -0.631 -5.112 1.00 0.00 N ATOM 1115 CA LEU A 78 -4.902 -1.525 -3.998 1.00 0.00 C ATOM 1116 C LEU A 78 -6.287 -1.220 -3.404 1.00 0.00 C ATOM 1117 O LEU A 78 -7.039 -2.129 -3.059 1.00 0.00 O ATOM 1118 CB LEU A 78 -3.800 -1.438 -2.922 1.00 0.00 C ATOM 1119 CG LEU A 78 -2.411 -1.896 -3.390 1.00 0.00 C ATOM 1120 CD1 LEU A 78 -1.389 -1.743 -2.279 1.00 0.00 C ATOM 1121 CD2 LEU A 78 -2.457 -3.337 -3.880 1.00 0.00 C ATOM 0 H LEU A 78 -3.852 0.044 -4.919 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.932 -2.546 -4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.730 -0.407 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.098 -2.043 -2.066 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.107 -1.260 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.413 -2.074 -2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.331 -0.696 -1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.688 -2.349 -1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.463 -3.642 -4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.788 -3.987 -3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.154 -3.415 -4.715 1.00 0.00 H new ATOM 1133 N TRP A 79 -6.624 0.067 -3.322 1.00 0.00 N ATOM 1134 CA TRP A 79 -7.915 0.513 -2.771 1.00 0.00 C ATOM 1135 C TRP A 79 -9.079 0.333 -3.752 1.00 0.00 C ATOM 1136 O TRP A 79 -10.230 0.578 -3.389 1.00 0.00 O ATOM 1137 CB TRP A 79 -7.840 1.980 -2.337 1.00 0.00 C ATOM 1138 CG TRP A 79 -7.241 2.180 -0.976 1.00 0.00 C ATOM 1139 CD1 TRP A 79 -5.923 2.095 -0.636 1.00 0.00 C ATOM 1140 CD2 TRP A 79 -7.944 2.515 0.226 1.00 0.00 C ATOM 1141 NE1 TRP A 79 -5.763 2.355 0.703 1.00 0.00 N ATOM 1142 CE2 TRP A 79 -6.989 2.614 1.255 1.00 0.00 C ATOM 1143 CE3 TRP A 79 -9.290 2.740 0.532 1.00 0.00 C ATOM 1144 CZ2 TRP A 79 -7.337 2.929 2.566 1.00 0.00 C ATOM 1145 CZ3 TRP A 79 -9.634 3.052 1.832 1.00 0.00 C ATOM 1146 CH2 TRP A 79 -8.661 3.143 2.837 1.00 0.00 C ATOM 0 H TRP A 79 -6.020 0.828 -3.631 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.111 -0.122 -1.907 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -7.252 2.535 -3.068 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.844 2.404 -2.347 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -5.122 1.858 -1.320 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -4.875 2.355 1.205 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.047 2.671 -0.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -6.589 3.002 3.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -10.670 3.229 2.079 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -8.962 3.387 3.845 1.00 0.00 H new ATOM 1157 N SER A 80 -8.784 -0.073 -4.984 1.00 0.00 N ATOM 1158 CA SER A 80 -9.820 -0.243 -6.009 1.00 0.00 C ATOM 1159 C SER A 80 -10.895 -1.255 -5.604 1.00 0.00 C ATOM 1160 O SER A 80 -12.075 -1.046 -5.886 1.00 0.00 O ATOM 1161 CB SER A 80 -9.190 -0.670 -7.338 1.00 0.00 C ATOM 1162 OG SER A 80 -8.397 0.367 -7.889 1.00 0.00 O ATOM 0 H SER A 80 -7.839 -0.291 -5.300 1.00 0.00 H new ATOM 0 HA SER A 80 -10.308 0.725 -6.121 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.576 -1.557 -7.183 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.975 -0.944 -8.043 1.00 0.00 H new ATOM 0 HG SER A 80 -8.054 0.935 -7.168 1.00 0.00 H new ATOM 1168 N TRP A 81 -10.500 -2.354 -4.967 1.00 0.00 N ATOM 1169 CA TRP A 81 -11.475 -3.363 -4.550 1.00 0.00 C ATOM 1170 C TRP A 81 -12.069 -3.019 -3.180 1.00 0.00 C ATOM 1171 O TRP A 81 -13.091 -2.341 -3.091 1.00 0.00 O ATOM 1172 CB TRP A 81 -10.824 -4.750 -4.522 1.00 0.00 C ATOM 1173 CG TRP A 81 -10.515 -5.287 -5.887 1.00 0.00 C ATOM 1174 CD1 TRP A 81 -9.308 -5.257 -6.527 1.00 0.00 C ATOM 1175 CD2 TRP A 81 -11.427 -5.935 -6.781 1.00 0.00 C ATOM 1176 NE1 TRP A 81 -9.416 -5.847 -7.761 1.00 0.00 N ATOM 1177 CE2 TRP A 81 -10.705 -6.272 -7.942 1.00 0.00 C ATOM 1178 CE3 TRP A 81 -12.785 -6.265 -6.711 1.00 0.00 C ATOM 1179 CZ2 TRP A 81 -11.297 -6.921 -9.024 1.00 0.00 C ATOM 1180 CZ3 TRP A 81 -13.369 -6.909 -7.787 1.00 0.00 C ATOM 1181 CH2 TRP A 81 -12.625 -7.232 -8.928 1.00 0.00 C ATOM 0 H TRP A 81 -9.531 -2.569 -4.731 1.00 0.00 H new ATOM 0 HA TRP A 81 -12.288 -3.373 -5.276 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -9.903 -4.700 -3.942 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -11.487 -5.445 -4.007 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -8.402 -4.831 -6.121 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -8.658 -5.952 -8.435 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.366 -6.022 -5.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -10.727 -7.169 -9.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -14.417 -7.167 -7.746 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -13.110 -7.738 -9.750 1.00 0.00 H new ATOM 1192 N ALA A 82 -11.435 -3.501 -2.113 1.00 0.00 N ATOM 1193 CA ALA A 82 -11.890 -3.204 -0.758 1.00 0.00 C ATOM 1194 C ALA A 82 -10.923 -2.225 -0.105 1.00 0.00 C ATOM 1195 O ALA A 82 -11.118 -1.013 -0.159 1.00 0.00 O ATOM 1196 CB ALA A 82 -12.012 -4.484 0.064 1.00 0.00 C ATOM 0 H ALA A 82 -10.608 -4.096 -2.161 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.879 -2.748 -0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.352 -4.239 1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.730 -5.153 -0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.040 -4.975 0.119 1.00 0.00 H new ATOM 1202 N GLN A 83 -9.881 -2.765 0.518 1.00 0.00 N ATOM 1203 CA GLN A 83 -8.843 -1.952 1.116 1.00 0.00 C ATOM 1204 C GLN A 83 -7.568 -2.155 0.308 1.00 0.00 C ATOM 1205 O GLN A 83 -6.948 -1.200 -0.148 1.00 0.00 O ATOM 1206 CB GLN A 83 -8.645 -2.341 2.581 1.00 0.00 C ATOM 1207 CG GLN A 83 -9.877 -2.121 3.445 1.00 0.00 C ATOM 1208 CD GLN A 83 -10.285 -0.662 3.529 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -9.514 0.180 3.983 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -11.498 -0.356 3.090 1.00 0.00 N ATOM 0 H GLN A 83 -9.738 -3.770 0.619 1.00 0.00 H new ATOM 0 HA GLN A 83 -9.120 -0.898 1.100 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.359 -3.391 2.633 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.816 -1.764 2.992 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.706 -2.702 3.042 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -9.682 -2.497 4.449 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -12.106 -1.087 2.721 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.823 0.610 3.122 1.00 0.00 H new ATOM 1219 N LYS A 84 -7.178 -3.422 0.151 1.00 0.00 N ATOM 1220 CA LYS A 84 -6.018 -3.773 -0.660 1.00 0.00 C ATOM 1221 C LYS A 84 -6.367 -4.939 -1.596 1.00 0.00 C ATOM 1222 O LYS A 84 -6.029 -4.920 -2.779 1.00 0.00 O ATOM 1223 CB LYS A 84 -4.823 -4.130 0.232 1.00 0.00 C ATOM 1224 CG LYS A 84 -3.672 -4.792 -0.511 1.00 0.00 C ATOM 1225 CD LYS A 84 -2.404 -4.842 0.325 1.00 0.00 C ATOM 1226 CE LYS A 84 -2.584 -5.684 1.576 1.00 0.00 C ATOM 1227 NZ LYS A 84 -3.099 -7.043 1.262 1.00 0.00 N ATOM 0 H LYS A 84 -7.651 -4.219 0.576 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.739 -2.911 -1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.458 -3.222 0.713 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.161 -4.797 1.025 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.959 -5.805 -0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.476 -4.246 -1.434 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.590 -5.251 -0.274 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.115 -3.830 0.607 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.630 -5.769 2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.274 -5.182 2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.090 -7.118 1.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.039 -7.209 0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.528 -7.755 1.761 1.00 0.00 H new ATOM 1241 N ASN A 85 -7.064 -5.942 -1.035 1.00 0.00 N ATOM 1242 CA ASN A 85 -7.509 -7.138 -1.771 1.00 0.00 C ATOM 1243 C ASN A 85 -6.379 -7.764 -2.591 1.00 0.00 C ATOM 1244 O ASN A 85 -6.593 -8.252 -3.701 1.00 0.00 O ATOM 1245 CB ASN A 85 -8.698 -6.814 -2.680 1.00 0.00 C ATOM 1246 CG ASN A 85 -9.496 -8.055 -3.040 1.00 0.00 C ATOM 1247 OD1 ASN A 85 -9.718 -8.926 -2.198 1.00 0.00 O ATOM 1248 ND2 ASN A 85 -9.927 -8.148 -4.290 1.00 0.00 N ATOM 0 H ASN A 85 -7.336 -5.946 -0.052 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.822 -7.867 -1.024 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.350 -6.096 -2.182 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.338 -6.338 -3.592 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.464 -8.963 -4.585 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.722 -7.404 -4.957 1.00 0.00 H new ATOM 1255 N LYS A 86 -5.179 -7.758 -2.034 1.00 0.00 N ATOM 1256 CA LYS A 86 -4.013 -8.309 -2.707 1.00 0.00 C ATOM 1257 C LYS A 86 -3.159 -9.075 -1.709 1.00 0.00 C ATOM 1258 O LYS A 86 -3.428 -9.041 -0.511 1.00 0.00 O ATOM 1259 CB LYS A 86 -3.184 -7.194 -3.357 1.00 0.00 C ATOM 1260 CG LYS A 86 -3.182 -7.234 -4.880 1.00 0.00 C ATOM 1261 CD LYS A 86 -4.427 -6.584 -5.463 1.00 0.00 C ATOM 1262 CE LYS A 86 -4.912 -7.319 -6.704 1.00 0.00 C ATOM 1263 NZ LYS A 86 -3.861 -7.394 -7.756 1.00 0.00 N ATOM 0 H LYS A 86 -4.986 -7.374 -1.109 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.352 -8.987 -3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.571 -6.229 -3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.156 -7.264 -3.000 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.295 -6.724 -5.256 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.121 -8.269 -5.216 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.218 -6.573 -4.713 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.212 -5.545 -5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.223 -8.327 -6.430 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.790 -6.813 -7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.272 -7.780 -8.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.486 -6.442 -7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.090 -8.013 -7.433 1.00 0.00 H new ATOM 1277 N THR A 87 -2.146 -9.776 -2.188 1.00 0.00 N ATOM 1278 CA THR A 87 -1.273 -10.513 -1.291 1.00 0.00 C ATOM 1279 C THR A 87 0.166 -10.030 -1.433 1.00 0.00 C ATOM 1280 O THR A 87 0.549 -9.482 -2.471 1.00 0.00 O ATOM 1281 CB THR A 87 -1.331 -12.034 -1.538 1.00 0.00 C ATOM 1282 OG1 THR A 87 -0.867 -12.341 -2.863 1.00 0.00 O ATOM 1283 CG2 THR A 87 -2.748 -12.561 -1.363 1.00 0.00 C ATOM 0 H THR A 87 -1.910 -9.850 -3.177 1.00 0.00 H new ATOM 0 HA THR A 87 -1.628 -10.324 -0.278 1.00 0.00 H new ATOM 0 HB THR A 87 -0.685 -12.517 -0.805 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.907 -13.309 -3.007 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.761 -13.636 -1.543 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.089 -12.359 -0.348 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.411 -12.066 -2.073 1.00 0.00 H new ATOM 1291 N ILE A 88 0.955 -10.238 -0.381 1.00 0.00 N ATOM 1292 CA ILE A 88 2.353 -9.820 -0.363 1.00 0.00 C ATOM 1293 C ILE A 88 3.149 -10.508 -1.477 1.00 0.00 C ATOM 1294 O ILE A 88 3.997 -9.883 -2.111 1.00 0.00 O ATOM 1295 CB ILE A 88 2.980 -10.078 1.035 1.00 0.00 C ATOM 1296 CG1 ILE A 88 2.879 -8.804 1.887 1.00 0.00 C ATOM 1297 CG2 ILE A 88 4.428 -10.544 0.939 1.00 0.00 C ATOM 1298 CD1 ILE A 88 1.485 -8.518 2.399 1.00 0.00 C ATOM 0 H ILE A 88 0.646 -10.697 0.476 1.00 0.00 H new ATOM 0 HA ILE A 88 2.395 -8.748 -0.554 1.00 0.00 H new ATOM 0 HB ILE A 88 2.419 -10.882 1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.556 -8.892 2.736 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.219 -7.955 1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.824 -10.711 1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.474 -11.473 0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.023 -9.781 0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.496 -7.603 2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.805 -8.396 1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.148 -9.348 3.020 1.00 0.00 H new ATOM 1310 N GLY A 89 2.852 -11.784 -1.724 1.00 0.00 N ATOM 1311 CA GLY A 89 3.537 -12.522 -2.773 1.00 0.00 C ATOM 1312 C GLY A 89 3.298 -11.935 -4.159 1.00 0.00 C ATOM 1313 O GLY A 89 4.210 -11.888 -4.986 1.00 0.00 O ATOM 0 H GLY A 89 2.148 -12.319 -1.215 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.607 -12.530 -2.566 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.202 -13.559 -2.760 1.00 0.00 H new ATOM 1317 N ASP A 90 2.061 -11.502 -4.412 1.00 0.00 N ATOM 1318 CA ASP A 90 1.689 -10.918 -5.702 1.00 0.00 C ATOM 1319 C ASP A 90 2.457 -9.624 -5.982 1.00 0.00 C ATOM 1320 O ASP A 90 2.979 -9.430 -7.080 1.00 0.00 O ATOM 1321 CB ASP A 90 0.180 -10.645 -5.742 1.00 0.00 C ATOM 1322 CG ASP A 90 -0.284 -10.104 -7.082 1.00 0.00 C ATOM 1323 OD1 ASP A 90 -0.613 -10.919 -7.966 1.00 0.00 O ATOM 1324 OD2 ASP A 90 -0.321 -8.866 -7.242 1.00 0.00 O ATOM 0 H ASP A 90 1.297 -11.545 -3.737 1.00 0.00 H new ATOM 0 HA ASP A 90 1.952 -11.638 -6.477 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -0.358 -11.567 -5.522 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.077 -9.932 -4.959 1.00 0.00 H new ATOM 1329 N LEU A 91 2.532 -8.750 -4.982 1.00 0.00 N ATOM 1330 CA LEU A 91 3.234 -7.474 -5.131 1.00 0.00 C ATOM 1331 C LEU A 91 4.748 -7.659 -5.053 1.00 0.00 C ATOM 1332 O LEU A 91 5.500 -6.848 -5.586 1.00 0.00 O ATOM 1333 CB LEU A 91 2.779 -6.470 -4.069 1.00 0.00 C ATOM 1334 CG LEU A 91 2.106 -5.190 -4.593 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.940 -4.553 -5.695 1.00 0.00 C ATOM 1336 CD2 LEU A 91 0.700 -5.494 -5.095 1.00 0.00 C ATOM 0 H LEU A 91 2.118 -8.899 -4.062 1.00 0.00 H new ATOM 0 HA LEU A 91 2.984 -7.082 -6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.084 -6.973 -3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.646 -6.183 -3.474 1.00 0.00 H new ATOM 0 HG LEU A 91 2.033 -4.481 -3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.444 -3.649 -6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.925 -4.297 -5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.049 -5.256 -6.521 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.239 -4.577 -5.462 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.752 -6.223 -5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.102 -5.900 -4.279 1.00 0.00 H new ATOM 1348 N LEU A 92 5.187 -8.729 -4.389 1.00 0.00 N ATOM 1349 CA LEU A 92 6.613 -9.016 -4.236 1.00 0.00 C ATOM 1350 C LEU A 92 7.281 -9.188 -5.596 1.00 0.00 C ATOM 1351 O LEU A 92 8.393 -8.707 -5.819 1.00 0.00 O ATOM 1352 CB LEU A 92 6.813 -10.277 -3.386 1.00 0.00 C ATOM 1353 CG LEU A 92 8.269 -10.674 -3.128 1.00 0.00 C ATOM 1354 CD1 LEU A 92 8.995 -9.579 -2.360 1.00 0.00 C ATOM 1355 CD2 LEU A 92 8.334 -11.992 -2.370 1.00 0.00 C ATOM 0 H LEU A 92 4.573 -9.413 -3.947 1.00 0.00 H new ATOM 0 HA LEU A 92 7.078 -8.170 -3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.320 -10.129 -2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.309 -11.109 -3.878 1.00 0.00 H new ATOM 0 HG LEU A 92 8.766 -10.804 -4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.028 -9.880 -2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.978 -8.656 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.499 -9.416 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.376 -12.260 -2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.820 -11.888 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.852 -12.774 -2.957 1.00 0.00 H new ATOM 1367 N GLN A 93 6.594 -9.883 -6.499 1.00 0.00 N ATOM 1368 CA GLN A 93 7.106 -10.110 -7.848 1.00 0.00 C ATOM 1369 C GLN A 93 7.271 -8.776 -8.579 1.00 0.00 C ATOM 1370 O GLN A 93 8.247 -8.560 -9.298 1.00 0.00 O ATOM 1371 CB GLN A 93 6.140 -11.014 -8.614 1.00 0.00 C ATOM 1372 CG GLN A 93 6.099 -12.439 -8.085 1.00 0.00 C ATOM 1373 CD GLN A 93 4.984 -13.258 -8.702 1.00 0.00 C ATOM 1374 OE1 GLN A 93 5.115 -13.773 -9.810 1.00 0.00 O ATOM 1375 NE2 GLN A 93 3.873 -13.373 -7.984 1.00 0.00 N ATOM 0 H GLN A 93 5.680 -10.299 -6.321 1.00 0.00 H new ATOM 0 HA GLN A 93 8.080 -10.595 -7.786 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.138 -10.587 -8.565 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.428 -11.033 -9.665 1.00 0.00 H new ATOM 0 HG2 GLN A 93 7.054 -12.924 -8.285 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.973 -12.417 -7.003 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.809 -12.928 -7.068 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.083 -13.906 -8.348 1.00 0.00 H new ATOM 1384 N VAL A 94 6.298 -7.891 -8.380 1.00 0.00 N ATOM 1385 CA VAL A 94 6.315 -6.560 -8.980 1.00 0.00 C ATOM 1386 C VAL A 94 7.440 -5.718 -8.364 1.00 0.00 C ATOM 1387 O VAL A 94 8.132 -4.970 -9.059 1.00 0.00 O ATOM 1388 CB VAL A 94 4.955 -5.850 -8.790 1.00 0.00 C ATOM 1389 CG1 VAL A 94 5.004 -4.419 -9.303 1.00 0.00 C ATOM 1390 CG2 VAL A 94 3.842 -6.630 -9.477 1.00 0.00 C ATOM 0 H VAL A 94 5.479 -8.075 -7.801 1.00 0.00 H new ATOM 0 HA VAL A 94 6.496 -6.670 -10.049 1.00 0.00 H new ATOM 0 HB VAL A 94 4.743 -5.814 -7.721 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.033 -3.946 -9.156 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.765 -3.862 -8.757 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.249 -4.421 -10.365 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.893 -6.114 -9.332 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.055 -6.705 -10.543 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.781 -7.630 -9.048 1.00 0.00 H new ATOM 1400 N LEU A 95 7.610 -5.859 -7.046 1.00 0.00 N ATOM 1401 CA LEU A 95 8.638 -5.135 -6.301 1.00 0.00 C ATOM 1402 C LEU A 95 10.024 -5.499 -6.816 1.00 0.00 C ATOM 1403 O LEU A 95 10.907 -4.646 -6.899 1.00 0.00 O ATOM 1404 CB LEU A 95 8.547 -5.467 -4.807 1.00 0.00 C ATOM 1405 CG LEU A 95 7.303 -4.937 -4.092 1.00 0.00 C ATOM 1406 CD1 LEU A 95 7.208 -5.512 -2.688 1.00 0.00 C ATOM 1407 CD2 LEU A 95 7.317 -3.419 -4.046 1.00 0.00 C ATOM 0 H LEU A 95 7.039 -6.477 -6.469 1.00 0.00 H new ATOM 0 HA LEU A 95 8.472 -4.067 -6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.579 -6.550 -4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.430 -5.067 -4.309 1.00 0.00 H new ATOM 0 HG LEU A 95 6.425 -5.254 -4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.317 -5.123 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 95 7.147 -6.599 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.092 -5.227 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.424 -3.062 -3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.203 -3.079 -3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.334 -3.024 -5.062 1.00 0.00 H new ATOM 1419 N GLN A 96 10.209 -6.777 -7.134 1.00 0.00 N ATOM 1420 CA GLN A 96 11.474 -7.275 -7.663 1.00 0.00 C ATOM 1421 C GLN A 96 11.790 -6.618 -9.008 1.00 0.00 C ATOM 1422 O GLN A 96 12.941 -6.285 -9.291 1.00 0.00 O ATOM 1423 CB GLN A 96 11.416 -8.799 -7.819 1.00 0.00 C ATOM 1424 CG GLN A 96 12.733 -9.428 -8.252 1.00 0.00 C ATOM 1425 CD GLN A 96 12.658 -10.941 -8.335 1.00 0.00 C ATOM 1426 OE1 GLN A 96 11.651 -11.546 -7.973 1.00 0.00 O ATOM 1427 NE2 GLN A 96 13.729 -11.560 -8.814 1.00 0.00 N ATOM 0 H GLN A 96 9.490 -7.493 -7.033 1.00 0.00 H new ATOM 0 HA GLN A 96 12.268 -7.021 -6.960 1.00 0.00 H new ATOM 0 HB2 GLN A 96 11.109 -9.240 -6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.648 -9.050 -8.550 1.00 0.00 H new ATOM 0 HG2 GLN A 96 13.020 -9.028 -9.225 1.00 0.00 H new ATOM 0 HG3 GLN A 96 13.515 -9.145 -7.548 1.00 0.00 H new ATOM 0 HE21 GLN A 96 14.544 -11.019 -9.103 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.738 -12.577 -8.893 1.00 0.00 H new ATOM 1436 N GLU A 97 10.753 -6.438 -9.827 1.00 0.00 N ATOM 1437 CA GLU A 97 10.898 -5.823 -11.149 1.00 0.00 C ATOM 1438 C GLU A 97 11.399 -4.380 -11.050 1.00 0.00 C ATOM 1439 O GLU A 97 12.220 -3.948 -11.858 1.00 0.00 O ATOM 1440 CB GLU A 97 9.558 -5.857 -11.895 1.00 0.00 C ATOM 1441 CG GLU A 97 9.150 -7.248 -12.361 1.00 0.00 C ATOM 1442 CD GLU A 97 10.031 -7.777 -13.474 1.00 0.00 C ATOM 1443 OE1 GLU A 97 9.716 -7.515 -14.653 1.00 0.00 O ATOM 1444 OE2 GLU A 97 11.036 -8.453 -13.168 1.00 0.00 O ATOM 0 H GLU A 97 9.798 -6.711 -9.597 1.00 0.00 H new ATOM 0 HA GLU A 97 11.640 -6.399 -11.702 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.780 -5.459 -11.244 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.618 -5.197 -12.760 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.189 -7.935 -11.516 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.116 -7.222 -12.704 1.00 0.00 H new ATOM 1451 N MET A 98 10.897 -3.638 -10.066 1.00 0.00 N ATOM 1452 CA MET A 98 11.309 -2.246 -9.880 1.00 0.00 C ATOM 1453 C MET A 98 12.525 -2.126 -8.964 1.00 0.00 C ATOM 1454 O MET A 98 13.137 -1.061 -8.880 1.00 0.00 O ATOM 1455 CB MET A 98 10.159 -1.405 -9.323 1.00 0.00 C ATOM 1456 CG MET A 98 9.483 -0.535 -10.373 1.00 0.00 C ATOM 1457 SD MET A 98 10.632 0.631 -11.131 1.00 0.00 S ATOM 1458 CE MET A 98 9.500 1.819 -11.849 1.00 0.00 C ATOM 0 H MET A 98 10.210 -3.972 -9.390 1.00 0.00 H new ATOM 0 HA MET A 98 11.587 -1.867 -10.863 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.417 -2.067 -8.878 1.00 0.00 H new ATOM 0 HB3 MET A 98 10.538 -0.768 -8.524 1.00 0.00 H new ATOM 0 HG2 MET A 98 9.050 -1.171 -11.145 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.661 0.014 -9.914 1.00 0.00 H new ATOM 0 HE1 MET A 98 9.733 1.951 -12.906 1.00 0.00 H new ATOM 0 HE2 MET A 98 8.477 1.456 -11.745 1.00 0.00 H new ATOM 0 HE3 MET A 98 9.600 2.774 -11.334 1.00 0.00 H new ATOM 1468 N GLY A 99 12.874 -3.213 -8.284 1.00 0.00 N ATOM 1469 CA GLY A 99 14.021 -3.185 -7.389 1.00 0.00 C ATOM 1470 C GLY A 99 13.762 -2.381 -6.130 1.00 0.00 C ATOM 1471 O GLY A 99 14.633 -1.644 -5.668 1.00 0.00 O ATOM 0 H GLY A 99 12.388 -4.108 -8.334 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.288 -4.206 -7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 99 14.877 -2.762 -7.915 1.00 0.00 H new ATOM 1475 N HIS A 100 12.554 -2.512 -5.579 1.00 0.00 N ATOM 1476 CA HIS A 100 12.178 -1.788 -4.364 1.00 0.00 C ATOM 1477 C HIS A 100 12.922 -2.349 -3.151 1.00 0.00 C ATOM 1478 O HIS A 100 12.478 -3.312 -2.520 1.00 0.00 O ATOM 1479 CB HIS A 100 10.670 -1.885 -4.136 1.00 0.00 C ATOM 1480 CG HIS A 100 10.099 -0.735 -3.366 1.00 0.00 C ATOM 1481 ND1 HIS A 100 10.525 -0.364 -2.110 1.00 0.00 N ATOM 1482 CD2 HIS A 100 9.085 0.109 -3.681 1.00 0.00 C ATOM 1483 CE1 HIS A 100 9.771 0.667 -1.709 1.00 0.00 C ATOM 1484 NE2 HIS A 100 8.883 0.993 -2.625 1.00 0.00 N ATOM 0 H HIS A 100 11.820 -3.112 -5.955 1.00 0.00 H new ATOM 0 HA HIS A 100 12.454 -0.741 -4.491 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.169 -1.947 -5.102 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.451 -2.811 -3.604 1.00 0.00 H new ATOM 0 HD2 HIS A 100 8.524 0.097 -4.604 1.00 0.00 H new ATOM 0 HE1 HIS A 100 9.877 1.167 -0.757 1.00 0.00 H new ATOM 0 HE2 HIS A 100 8.190 1.739 -2.572 1.00 0.00 H new ATOM 1491 N ARG A 101 14.059 -1.735 -2.841 1.00 0.00 N ATOM 1492 CA ARG A 101 14.908 -2.152 -1.727 1.00 0.00 C ATOM 1493 C ARG A 101 14.241 -1.990 -0.360 1.00 0.00 C ATOM 1494 O ARG A 101 14.362 -2.860 0.497 1.00 0.00 O ATOM 1495 CB ARG A 101 16.196 -1.334 -1.756 1.00 0.00 C ATOM 1496 CG ARG A 101 17.115 -1.689 -2.913 1.00 0.00 C ATOM 1497 CD ARG A 101 18.296 -0.733 -3.002 1.00 0.00 C ATOM 1498 NE ARG A 101 19.226 -1.107 -4.064 1.00 0.00 N ATOM 1499 CZ ARG A 101 19.048 -0.807 -5.351 1.00 0.00 C ATOM 1500 NH1 ARG A 101 19.950 -1.180 -6.249 1.00 0.00 N ATOM 1501 NH2 ARG A 101 17.969 -0.136 -5.736 1.00 0.00 N ATOM 0 H ARG A 101 14.420 -0.932 -3.356 1.00 0.00 H new ATOM 0 HA ARG A 101 15.107 -3.216 -1.856 1.00 0.00 H new ATOM 0 HB2 ARG A 101 15.943 -0.275 -1.815 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.732 -1.482 -0.818 1.00 0.00 H new ATOM 0 HG2 ARG A 101 17.480 -2.709 -2.789 1.00 0.00 H new ATOM 0 HG3 ARG A 101 16.553 -1.662 -3.847 1.00 0.00 H new ATOM 0 HD2 ARG A 101 17.931 0.278 -3.180 1.00 0.00 H new ATOM 0 HD3 ARG A 101 18.823 -0.718 -2.048 1.00 0.00 H new ATOM 0 HE ARG A 101 20.063 -1.630 -3.805 1.00 0.00 H new ATOM 0 HH11 ARG A 101 20.779 -1.696 -5.955 1.00 0.00 H new ATOM 0 HH12 ARG A 101 19.814 -0.951 -7.234 1.00 0.00 H new ATOM 0 HH21 ARG A 101 17.274 0.151 -5.047 1.00 0.00 H new ATOM 0 HH22 ARG A 101 17.835 0.092 -6.721 1.00 0.00 H new ATOM 1515 N ARG A 102 13.548 -0.878 -0.149 1.00 0.00 N ATOM 1516 CA ARG A 102 12.896 -0.614 1.134 1.00 0.00 C ATOM 1517 C ARG A 102 11.752 -1.590 1.415 1.00 0.00 C ATOM 1518 O ARG A 102 11.571 -2.038 2.550 1.00 0.00 O ATOM 1519 CB ARG A 102 12.378 0.822 1.198 1.00 0.00 C ATOM 1520 CG ARG A 102 11.944 1.240 2.595 1.00 0.00 C ATOM 1521 CD ARG A 102 13.125 1.712 3.431 1.00 0.00 C ATOM 1522 NE ARG A 102 13.855 0.597 4.035 1.00 0.00 N ATOM 1523 CZ ARG A 102 14.979 0.743 4.733 1.00 0.00 C ATOM 1524 NH1 ARG A 102 15.586 -0.321 5.244 1.00 0.00 N ATOM 1525 NH2 ARG A 102 15.493 1.952 4.922 1.00 0.00 N ATOM 0 H ARG A 102 13.421 -0.144 -0.846 1.00 0.00 H new ATOM 0 HA ARG A 102 13.654 -0.758 1.904 1.00 0.00 H new ATOM 0 HB2 ARG A 102 13.158 1.499 0.849 1.00 0.00 H new ATOM 0 HB3 ARG A 102 11.535 0.928 0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 102 11.206 2.039 2.523 1.00 0.00 H new ATOM 0 HG3 ARG A 102 11.458 0.400 3.092 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.803 2.291 2.804 1.00 0.00 H new ATOM 0 HD3 ARG A 102 12.769 2.379 4.216 1.00 0.00 H new ATOM 0 HE ARG A 102 13.482 -0.345 3.914 1.00 0.00 H new ATOM 0 HH11 ARG A 102 15.191 -1.251 5.102 1.00 0.00 H new ATOM 0 HH12 ARG A 102 16.447 -0.209 5.779 1.00 0.00 H new ATOM 0 HH21 ARG A 102 15.027 2.771 4.532 1.00 0.00 H new ATOM 0 HH22 ARG A 102 16.354 2.062 5.457 1.00 0.00 H new ATOM 1539 N ALA A 103 10.990 -1.915 0.378 1.00 0.00 N ATOM 1540 CA ALA A 103 9.841 -2.809 0.514 1.00 0.00 C ATOM 1541 C ALA A 103 10.236 -4.195 1.011 1.00 0.00 C ATOM 1542 O ALA A 103 9.519 -4.786 1.812 1.00 0.00 O ATOM 1543 CB ALA A 103 9.096 -2.930 -0.805 1.00 0.00 C ATOM 0 H ALA A 103 11.146 -1.573 -0.570 1.00 0.00 H new ATOM 0 HA ALA A 103 9.186 -2.364 1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.245 -3.600 -0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.742 -1.947 -1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.766 -3.331 -1.566 1.00 0.00 H new ATOM 1549 N ILE A 104 11.369 -4.719 0.538 1.00 0.00 N ATOM 1550 CA ILE A 104 11.814 -6.050 0.956 1.00 0.00 C ATOM 1551 C ILE A 104 12.101 -6.098 2.463 1.00 0.00 C ATOM 1552 O ILE A 104 11.917 -7.133 3.102 1.00 0.00 O ATOM 1553 CB ILE A 104 13.052 -6.532 0.146 1.00 0.00 C ATOM 1554 CG1 ILE A 104 13.191 -8.055 0.235 1.00 0.00 C ATOM 1555 CG2 ILE A 104 14.334 -5.863 0.623 1.00 0.00 C ATOM 1556 CD1 ILE A 104 12.120 -8.808 -0.523 1.00 0.00 C ATOM 0 H ILE A 104 11.987 -4.250 -0.125 1.00 0.00 H new ATOM 0 HA ILE A 104 10.994 -6.736 0.744 1.00 0.00 H new ATOM 0 HB ILE A 104 12.892 -6.246 -0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 104 14.169 -8.345 -0.150 1.00 0.00 H new ATOM 0 HG13 ILE A 104 13.160 -8.353 1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 104 15.175 -6.226 0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 104 14.247 -4.783 0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 104 14.499 -6.100 1.674 1.00 0.00 H new ATOM 0 HD11 ILE A 104 12.283 -9.880 -0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 104 11.140 -8.548 -0.123 1.00 0.00 H new ATOM 0 HD13 ILE A 104 12.164 -8.539 -1.578 1.00 0.00 H new ATOM 1568 N HIS A 105 12.554 -4.980 3.029 1.00 0.00 N ATOM 1569 CA HIS A 105 12.841 -4.914 4.460 1.00 0.00 C ATOM 1570 C HIS A 105 11.554 -4.949 5.285 1.00 0.00 C ATOM 1571 O HIS A 105 11.485 -5.621 6.314 1.00 0.00 O ATOM 1572 CB HIS A 105 13.636 -3.647 4.791 1.00 0.00 C ATOM 1573 CG HIS A 105 15.071 -3.707 4.370 1.00 0.00 C ATOM 1574 ND1 HIS A 105 15.686 -3.189 3.277 1.00 0.00 N flip ATOM 1575 CD2 HIS A 105 16.056 -4.347 5.090 1.00 0.00 C flip ATOM 1576 CE1 HIS A 105 17.042 -3.504 3.322 1.00 0.00 C flip ATOM 1577 NE2 HIS A 105 17.212 -4.201 4.430 1.00 0.00 N flip ATOM 0 H HIS A 105 12.729 -4.113 2.521 1.00 0.00 H new ATOM 0 HA HIS A 105 13.439 -5.788 4.718 1.00 0.00 H new ATOM 0 HB2 HIS A 105 13.160 -2.794 4.307 1.00 0.00 H new ATOM 0 HB3 HIS A 105 13.589 -3.470 5.866 1.00 0.00 H new ATOM 0 HD1 HIS A 105 15.228 -2.654 2.539 1.00 0.00 H new ATOM 0 HD2 HIS A 105 15.920 -4.874 6.023 1.00 0.00 H new ATOM 0 HE1 HIS A 105 17.798 -3.234 2.600 1.00 0.00 H new ATOM 1584 N LEU A 106 10.531 -4.230 4.823 1.00 0.00 N ATOM 1585 CA LEU A 106 9.249 -4.175 5.529 1.00 0.00 C ATOM 1586 C LEU A 106 8.334 -5.353 5.178 1.00 0.00 C ATOM 1587 O LEU A 106 7.430 -5.689 5.945 1.00 0.00 O ATOM 1588 CB LEU A 106 8.544 -2.843 5.253 1.00 0.00 C ATOM 1589 CG LEU A 106 8.159 -2.037 6.503 1.00 0.00 C ATOM 1590 CD1 LEU A 106 7.449 -2.918 7.521 1.00 0.00 C ATOM 1591 CD2 LEU A 106 9.390 -1.392 7.120 1.00 0.00 C ATOM 0 H LEU A 106 10.564 -3.679 3.965 1.00 0.00 H new ATOM 0 HA LEU A 106 9.466 -4.250 6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.193 -2.229 4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.641 -3.041 4.675 1.00 0.00 H new ATOM 0 HG LEU A 106 7.470 -1.249 6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.187 -2.324 8.396 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.542 -3.329 7.077 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.108 -3.733 7.820 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.099 -0.825 8.004 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.103 -2.166 7.404 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.852 -0.722 6.395 1.00 0.00 H new ATOM 1603 N ILE A 107 8.563 -5.978 4.026 1.00 0.00 N ATOM 1604 CA ILE A 107 7.751 -7.116 3.587 1.00 0.00 C ATOM 1605 C ILE A 107 7.867 -8.293 4.567 1.00 0.00 C ATOM 1606 O ILE A 107 7.001 -9.168 4.611 1.00 0.00 O ATOM 1607 CB ILE A 107 8.125 -7.569 2.149 1.00 0.00 C ATOM 1608 CG1 ILE A 107 6.919 -8.192 1.451 1.00 0.00 C ATOM 1609 CG2 ILE A 107 9.294 -8.546 2.151 1.00 0.00 C ATOM 1610 CD1 ILE A 107 5.983 -7.168 0.845 1.00 0.00 C ATOM 0 H ILE A 107 9.305 -5.717 3.377 1.00 0.00 H new ATOM 0 HA ILE A 107 6.714 -6.781 3.573 1.00 0.00 H new ATOM 0 HB ILE A 107 8.434 -6.681 1.598 1.00 0.00 H new ATOM 0 HG12 ILE A 107 7.269 -8.863 0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 107 6.367 -8.799 2.168 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.525 -8.839 1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.166 -8.069 2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.028 -9.430 2.730 1.00 0.00 H new ATOM 0 HD11 ILE A 107 5.148 -7.678 0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 107 5.605 -6.511 1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 107 6.521 -6.576 0.104 1.00 0.00 H new ATOM 1622 N THR A 108 8.939 -8.291 5.364 1.00 0.00 N ATOM 1623 CA THR A 108 9.184 -9.343 6.349 1.00 0.00 C ATOM 1624 C THR A 108 8.194 -9.269 7.512 1.00 0.00 C ATOM 1625 O THR A 108 8.104 -10.194 8.320 1.00 0.00 O ATOM 1626 CB THR A 108 10.620 -9.263 6.907 1.00 0.00 C ATOM 1627 OG1 THR A 108 10.824 -8.005 7.564 1.00 0.00 O ATOM 1628 CG2 THR A 108 11.647 -9.432 5.796 1.00 0.00 C ATOM 0 H THR A 108 9.655 -7.565 5.344 1.00 0.00 H new ATOM 0 HA THR A 108 9.050 -10.292 5.830 1.00 0.00 H new ATOM 0 HB THR A 108 10.749 -10.073 7.625 1.00 0.00 H new ATOM 0 HG1 THR A 108 11.049 -7.321 6.899 1.00 0.00 H new ATOM 0 HG21 THR A 108 12.651 -9.372 6.216 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.511 -10.403 5.319 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.515 -8.643 5.056 1.00 0.00 H new ATOM 1636 N ASN A 109 7.461 -8.157 7.598 1.00 0.00 N ATOM 1637 CA ASN A 109 6.470 -7.962 8.657 1.00 0.00 C ATOM 1638 C ASN A 109 5.273 -8.892 8.457 1.00 0.00 C ATOM 1639 O ASN A 109 4.587 -9.255 9.416 1.00 0.00 O ATOM 1640 CB ASN A 109 6.012 -6.497 8.686 1.00 0.00 C ATOM 1641 CG ASN A 109 5.026 -6.205 9.803 1.00 0.00 C ATOM 1642 OD1 ASN A 109 3.825 -6.075 9.566 1.00 0.00 O ATOM 1643 ND2 ASN A 109 5.527 -6.099 11.024 1.00 0.00 N ATOM 0 H ASN A 109 7.536 -7.377 6.945 1.00 0.00 H new ATOM 0 HA ASN A 109 6.933 -8.206 9.613 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.883 -5.852 8.800 1.00 0.00 H new ATOM 0 HB3 ASN A 109 5.553 -6.247 7.729 1.00 0.00 H new ATOM 0 HD21 ASN A 109 4.911 -5.902 11.813 1.00 0.00 H new ATOM 0 HD22 ASN A 109 6.529 -6.214 11.176 1.00 0.00 H new ATOM 1650 N TYR A 110 5.028 -9.268 7.204 1.00 0.00 N ATOM 1651 CA TYR A 110 3.921 -10.157 6.860 1.00 0.00 C ATOM 1652 C TYR A 110 4.103 -11.540 7.492 1.00 0.00 C ATOM 1653 O TYR A 110 5.140 -12.179 7.323 1.00 0.00 O ATOM 1654 CB TYR A 110 3.822 -10.274 5.335 1.00 0.00 C ATOM 1655 CG TYR A 110 2.827 -11.304 4.846 1.00 0.00 C ATOM 1656 CD1 TYR A 110 1.460 -11.066 4.904 1.00 0.00 C ATOM 1657 CD2 TYR A 110 3.260 -12.514 4.317 1.00 0.00 C ATOM 1658 CE1 TYR A 110 0.555 -12.005 4.448 1.00 0.00 C ATOM 1659 CE2 TYR A 110 2.362 -13.457 3.861 1.00 0.00 C ATOM 1660 CZ TYR A 110 1.011 -13.197 3.928 1.00 0.00 C ATOM 1661 OH TYR A 110 0.113 -14.134 3.477 1.00 0.00 O ATOM 0 H TYR A 110 5.586 -8.968 6.405 1.00 0.00 H new ATOM 0 HA TYR A 110 2.997 -9.735 7.255 1.00 0.00 H new ATOM 0 HB2 TYR A 110 3.549 -9.301 4.926 1.00 0.00 H new ATOM 0 HB3 TYR A 110 4.806 -10.522 4.938 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.099 -10.133 5.312 1.00 0.00 H new ATOM 0 HD2 TYR A 110 4.319 -12.720 4.262 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.505 -11.806 4.499 1.00 0.00 H new ATOM 0 HE2 TYR A 110 2.716 -14.393 3.454 1.00 0.00 H new ATOM 0 HH TYR A 110 0.598 -14.916 3.141 1.00 0.00 H new