USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 565 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -160:sc= -0.0585 (180deg=-0.427) USER MOD Single : A 18 LYS NZ :NH3+ -179:sc= 0.373 (180deg=0.372) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 26 GLN : amide:sc= -0.0477 X(o=-0.048,f=-0.048) USER MOD Single : A 29 HIS : no HD1:sc= -0.668 X(o=-0.67,f=-0.35) USER MOD Single : A 32 LYS NZ :NH3+ -159:sc= -0.369 (180deg=-0.832) USER MOD Single : A 38 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.21) USER MOD Single : A 41 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0546) USER MOD Single : A 42 ASN : amide:sc= -0.25 K(o=-0.25,f=-2.5!) USER MOD Single : A 45 SER OG : rot -40:sc= 1.06 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 58 THR OG1 : rot 60:sc= 0.651 USER MOD Single : A 64 LYS NZ :NH3+ -164:sc= -0.0424 (180deg=-0.259) USER MOD Single : A 69 THR OG1 : rot -177:sc= 0.252 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 150:sc= 0.926 USER MOD Single : A 76 TYR OH : rot 180:sc= 0.704 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc=0.000951 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N GLU A 14 -13.828 -3.965 -11.240 1.00 0.00 N ATOM 245 CA GLU A 14 -13.956 -5.313 -10.732 1.00 0.00 C ATOM 246 C GLU A 14 -13.641 -5.317 -9.233 1.00 0.00 C ATOM 247 O GLU A 14 -14.414 -5.834 -8.440 1.00 0.00 O ATOM 248 CB GLU A 14 -13.029 -6.249 -11.565 1.00 0.00 C ATOM 249 CG GLU A 14 -13.232 -7.769 -11.426 1.00 0.00 C ATOM 250 CD GLU A 14 -12.702 -8.383 -10.148 1.00 0.00 C ATOM 251 OE1 GLU A 14 -11.491 -8.722 -10.096 1.00 0.00 O ATOM 252 OE2 GLU A 14 -13.486 -8.586 -9.210 1.00 0.00 O ATOM 0 HA GLU A 14 -14.973 -5.689 -10.838 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.149 -5.990 -12.617 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.997 -6.023 -11.297 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.298 -7.983 -11.497 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.751 -8.261 -12.272 1.00 0.00 H new ATOM 259 N ILE A 15 -12.553 -4.653 -8.844 1.00 0.00 N ATOM 260 CA ILE A 15 -12.168 -4.564 -7.426 1.00 0.00 C ATOM 261 C ILE A 15 -13.227 -3.811 -6.605 1.00 0.00 C ATOM 262 O ILE A 15 -13.428 -4.083 -5.420 1.00 0.00 O ATOM 263 CB ILE A 15 -10.747 -3.923 -7.217 1.00 0.00 C ATOM 264 CG1 ILE A 15 -10.663 -2.477 -7.737 1.00 0.00 C ATOM 265 CG2 ILE A 15 -9.659 -4.776 -7.845 1.00 0.00 C ATOM 266 CD1 ILE A 15 -11.027 -1.412 -6.722 1.00 0.00 C ATOM 0 H ILE A 15 -11.922 -4.169 -9.483 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.110 -5.590 -7.063 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.586 -3.887 -6.140 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.648 -2.291 -8.089 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.323 -2.377 -8.599 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.689 -4.306 -7.683 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.663 -5.766 -7.388 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.843 -4.870 -8.915 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.938 -0.427 -7.180 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.053 -1.565 -6.386 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.352 -1.477 -5.868 1.00 0.00 H new ATOM 278 N LYS A 16 -13.943 -2.913 -7.266 1.00 0.00 N ATOM 279 CA LYS A 16 -14.952 -2.106 -6.617 1.00 0.00 C ATOM 280 C LYS A 16 -16.192 -2.926 -6.336 1.00 0.00 C ATOM 281 O LYS A 16 -17.015 -2.563 -5.506 1.00 0.00 O ATOM 282 CB LYS A 16 -15.258 -0.848 -7.439 1.00 0.00 C ATOM 283 CG LYS A 16 -14.149 0.189 -7.392 1.00 0.00 C ATOM 284 CD LYS A 16 -14.400 1.352 -8.340 1.00 0.00 C ATOM 285 CE LYS A 16 -13.173 2.259 -8.414 1.00 0.00 C ATOM 286 NZ LYS A 16 -13.316 3.324 -9.430 1.00 0.00 N ATOM 0 H LYS A 16 -13.837 -2.728 -8.263 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.565 -1.769 -5.655 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.433 -1.135 -8.476 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -16.181 -0.399 -7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -14.053 0.568 -6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -13.201 -0.285 -7.647 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.640 0.973 -9.334 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -15.263 1.925 -8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.002 2.713 -7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.294 1.657 -8.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.458 3.911 -9.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.453 2.894 -10.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.138 3.917 -9.198 1.00 0.00 H new ATOM 300 N LYS A 17 -16.312 -4.026 -7.022 1.00 0.00 N ATOM 301 CA LYS A 17 -17.372 -4.967 -6.781 1.00 0.00 C ATOM 302 C LYS A 17 -16.873 -6.103 -5.883 1.00 0.00 C ATOM 303 O LYS A 17 -17.553 -6.510 -4.954 1.00 0.00 O ATOM 304 CB LYS A 17 -17.927 -5.494 -8.103 1.00 0.00 C ATOM 305 CG LYS A 17 -18.661 -4.432 -8.910 1.00 0.00 C ATOM 306 CD LYS A 17 -19.085 -4.953 -10.271 1.00 0.00 C ATOM 307 CE LYS A 17 -20.008 -3.973 -10.987 1.00 0.00 C ATOM 308 NZ LYS A 17 -21.290 -3.794 -10.254 1.00 0.00 N ATOM 0 H LYS A 17 -15.674 -4.299 -7.770 1.00 0.00 H new ATOM 0 HA LYS A 17 -18.187 -4.464 -6.261 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -17.107 -5.893 -8.700 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -18.607 -6.322 -7.900 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -19.540 -4.099 -8.358 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -18.016 -3.562 -9.038 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -18.201 -5.134 -10.883 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -19.592 -5.910 -10.152 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -19.509 -3.010 -11.088 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -20.212 -4.334 -11.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -22.010 -3.413 -10.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -21.609 -4.712 -9.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -21.149 -3.132 -9.464 1.00 0.00 H new ATOM 322 N LYS A 18 -15.646 -6.547 -6.142 1.00 0.00 N ATOM 323 CA LYS A 18 -14.989 -7.645 -5.423 1.00 0.00 C ATOM 324 C LYS A 18 -14.862 -7.325 -3.939 1.00 0.00 C ATOM 325 O LYS A 18 -15.231 -8.129 -3.072 1.00 0.00 O ATOM 326 CB LYS A 18 -13.587 -7.873 -6.026 1.00 0.00 C ATOM 327 CG LYS A 18 -12.756 -8.996 -5.398 1.00 0.00 C ATOM 328 CD LYS A 18 -11.355 -9.025 -6.008 1.00 0.00 C ATOM 329 CE LYS A 18 -10.461 -10.104 -5.394 1.00 0.00 C ATOM 330 NZ LYS A 18 -10.892 -11.471 -5.735 1.00 0.00 N ATOM 0 H LYS A 18 -15.063 -6.145 -6.876 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.594 -8.546 -5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.701 -8.085 -7.089 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.024 -6.943 -5.945 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.688 -8.848 -4.320 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.249 -9.955 -5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.435 -9.194 -7.082 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.885 -8.051 -5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.436 -9.956 -5.735 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.456 -9.990 -4.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.260 -12.159 -5.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.866 -11.621 -5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.855 -11.599 -6.766 1.00 0.00 H new ATOM 344 N PHE A 19 -14.362 -6.147 -3.653 1.00 0.00 N ATOM 345 CA PHE A 19 -14.127 -5.732 -2.276 1.00 0.00 C ATOM 346 C PHE A 19 -15.228 -4.819 -1.801 1.00 0.00 C ATOM 347 O PHE A 19 -15.220 -4.391 -0.653 1.00 0.00 O ATOM 348 CB PHE A 19 -12.797 -4.976 -2.165 1.00 0.00 C ATOM 349 CG PHE A 19 -11.609 -5.726 -2.680 1.00 0.00 C ATOM 350 CD1 PHE A 19 -11.140 -6.834 -2.020 1.00 0.00 C ATOM 351 CD2 PHE A 19 -10.967 -5.320 -3.831 1.00 0.00 C ATOM 352 CE1 PHE A 19 -10.053 -7.525 -2.492 1.00 0.00 C ATOM 353 CE2 PHE A 19 -9.878 -6.006 -4.309 1.00 0.00 C ATOM 354 CZ PHE A 19 -9.419 -7.112 -3.638 1.00 0.00 C ATOM 0 H PHE A 19 -14.107 -5.451 -4.353 1.00 0.00 H new ATOM 0 HA PHE A 19 -14.100 -6.631 -1.660 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.882 -4.036 -2.711 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.625 -4.722 -1.119 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.633 -7.166 -1.118 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.325 -4.451 -4.363 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.695 -8.395 -1.962 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.384 -5.676 -5.211 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.563 -7.655 -4.010 1.00 0.00 H new ATOM 364 N LYS A 20 -16.181 -4.550 -2.686 1.00 0.00 N ATOM 365 CA LYS A 20 -17.228 -3.554 -2.468 1.00 0.00 C ATOM 366 C LYS A 20 -16.574 -2.220 -2.150 1.00 0.00 C ATOM 367 O LYS A 20 -16.506 -1.785 -1.006 1.00 0.00 O ATOM 368 CB LYS A 20 -18.237 -3.958 -1.378 1.00 0.00 C ATOM 369 CG LYS A 20 -19.426 -3.015 -1.266 1.00 0.00 C ATOM 370 CD LYS A 20 -20.284 -3.349 -0.068 1.00 0.00 C ATOM 371 CE LYS A 20 -21.517 -2.468 -0.015 1.00 0.00 C ATOM 372 NZ LYS A 20 -22.294 -2.696 1.218 1.00 0.00 N ATOM 0 H LYS A 20 -16.251 -5.023 -3.587 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.814 -3.475 -3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -18.601 -4.964 -1.587 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -17.724 -3.998 -0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -19.071 -1.988 -1.186 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -20.027 -3.075 -2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -20.583 -4.396 -0.112 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.703 -3.222 0.846 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -21.219 -1.421 -0.070 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -22.145 -2.667 -0.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -23.130 -2.077 1.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -22.599 -3.690 1.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -21.702 -2.482 2.046 1.00 0.00 H new ATOM 386 N LEU A 21 -16.045 -1.612 -3.157 1.00 0.00 N ATOM 387 CA LEU A 21 -15.268 -0.415 -2.991 1.00 0.00 C ATOM 388 C LEU A 21 -15.892 0.713 -3.798 1.00 0.00 C ATOM 389 O LEU A 21 -15.270 1.751 -4.035 1.00 0.00 O ATOM 390 CB LEU A 21 -13.845 -0.679 -3.473 1.00 0.00 C ATOM 391 CG LEU A 21 -12.768 0.116 -2.768 1.00 0.00 C ATOM 392 CD1 LEU A 21 -12.675 -0.343 -1.332 1.00 0.00 C ATOM 393 CD2 LEU A 21 -11.442 -0.045 -3.465 1.00 0.00 C ATOM 0 H LEU A 21 -16.135 -1.926 -4.123 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.248 -0.126 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.629 -1.740 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.794 -0.463 -4.540 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.028 1.174 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.900 0.226 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.632 -0.183 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.425 -1.404 -1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.683 0.535 -2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.157 -1.097 -3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.525 0.310 -4.492 1.00 0.00 H new ATOM 405 N THR A 22 -17.113 0.493 -4.206 1.00 0.00 N ATOM 406 CA THR A 22 -17.870 1.434 -4.974 1.00 0.00 C ATOM 407 C THR A 22 -18.157 2.707 -4.184 1.00 0.00 C ATOM 408 O THR A 22 -18.804 2.672 -3.137 1.00 0.00 O ATOM 409 CB THR A 22 -19.165 0.763 -5.425 1.00 0.00 C ATOM 410 OG1 THR A 22 -19.599 -0.155 -4.388 1.00 0.00 O ATOM 411 CG2 THR A 22 -18.943 -0.001 -6.714 1.00 0.00 C ATOM 0 H THR A 22 -17.619 -0.370 -4.006 1.00 0.00 H new ATOM 0 HA THR A 22 -17.288 1.735 -5.845 1.00 0.00 H new ATOM 0 HB THR A 22 -19.925 1.525 -5.599 1.00 0.00 H new ATOM 0 HG1 THR A 22 -20.432 -0.592 -4.665 1.00 0.00 H new ATOM 0 HG21 THR A 22 -19.876 -0.474 -7.022 1.00 0.00 H new ATOM 0 HG22 THR A 22 -18.610 0.686 -7.492 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.183 -0.766 -6.557 1.00 0.00 H new ATOM 419 N GLY A 23 -17.662 3.809 -4.678 1.00 0.00 N ATOM 420 CA GLY A 23 -17.820 5.071 -4.018 1.00 0.00 C ATOM 421 C GLY A 23 -16.476 5.739 -3.874 1.00 0.00 C ATOM 422 O GLY A 23 -15.519 5.335 -4.556 1.00 0.00 O ATOM 0 H GLY A 23 -17.137 3.855 -5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -18.495 5.709 -4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -18.272 4.925 -3.037 1.00 0.00 H new ATOM 426 N PRO A 24 -16.352 6.765 -3.026 1.00 0.00 N ATOM 427 CA PRO A 24 -15.067 7.414 -2.772 1.00 0.00 C ATOM 428 C PRO A 24 -14.149 6.449 -2.083 1.00 0.00 C ATOM 429 O PRO A 24 -14.570 5.667 -1.219 1.00 0.00 O ATOM 430 CB PRO A 24 -15.408 8.592 -1.867 1.00 0.00 C ATOM 431 CG PRO A 24 -16.729 8.253 -1.263 1.00 0.00 C ATOM 432 CD PRO A 24 -17.442 7.365 -2.240 1.00 0.00 C ATOM 0 HA PRO A 24 -14.560 7.739 -3.681 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.648 8.731 -1.098 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.461 9.521 -2.434 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.597 7.747 -0.307 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.308 9.156 -1.069 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -18.034 6.604 -1.731 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -18.126 7.932 -2.871 1.00 0.00 H new ATOM 440 N ILE A 25 -12.926 6.475 -2.466 1.00 0.00 N ATOM 441 CA ILE A 25 -12.000 5.516 -1.997 1.00 0.00 C ATOM 442 C ILE A 25 -10.942 6.135 -1.078 1.00 0.00 C ATOM 443 O ILE A 25 -10.974 5.863 0.135 1.00 0.00 O ATOM 444 CB ILE A 25 -11.538 4.549 -3.183 1.00 0.00 C ATOM 445 CG1 ILE A 25 -10.290 3.703 -2.906 1.00 0.00 C ATOM 446 CG2 ILE A 25 -11.439 5.271 -4.527 1.00 0.00 C ATOM 447 CD1 ILE A 25 -8.991 4.429 -3.123 1.00 0.00 C ATOM 0 H ILE A 25 -12.540 7.162 -3.113 1.00 0.00 H new ATOM 0 HA ILE A 25 -12.473 4.819 -1.305 1.00 0.00 H new ATOM 0 HB ILE A 25 -12.351 3.825 -3.243 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.327 3.348 -1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.312 2.822 -3.548 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.121 4.567 -5.296 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.413 5.682 -4.792 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.712 6.080 -4.453 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.159 3.759 -2.905 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.928 4.760 -4.159 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.943 5.294 -2.462 1.00 0.00 H new ATOM 459 N GLN A 26 -10.074 7.012 -1.618 1.00 0.00 N ATOM 460 CA GLN A 26 -9.080 7.777 -0.813 1.00 0.00 C ATOM 461 C GLN A 26 -7.961 6.928 -0.275 1.00 0.00 C ATOM 462 O GLN A 26 -8.042 5.725 -0.210 1.00 0.00 O ATOM 463 CB GLN A 26 -9.758 8.559 0.315 1.00 0.00 C ATOM 464 CG GLN A 26 -10.801 9.559 -0.147 1.00 0.00 C ATOM 465 CD GLN A 26 -10.205 10.655 -0.988 1.00 0.00 C ATOM 466 OE1 GLN A 26 -9.731 11.662 -0.466 1.00 0.00 O ATOM 467 NE2 GLN A 26 -10.262 10.510 -2.280 1.00 0.00 N ATOM 0 H GLN A 26 -10.035 7.215 -2.617 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.623 8.485 -1.505 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.229 7.852 0.997 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.993 9.088 0.883 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.570 9.041 -0.720 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.292 9.997 0.722 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.662 9.661 -2.681 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.907 11.245 -2.892 1.00 0.00 H new ATOM 476 N VAL A 27 -6.915 7.584 0.099 1.00 0.00 N ATOM 477 CA VAL A 27 -5.750 6.926 0.581 1.00 0.00 C ATOM 478 C VAL A 27 -5.637 7.191 2.070 1.00 0.00 C ATOM 479 O VAL A 27 -5.727 8.349 2.500 1.00 0.00 O ATOM 480 CB VAL A 27 -4.502 7.477 -0.127 1.00 0.00 C ATOM 481 CG1 VAL A 27 -3.320 6.626 0.177 1.00 0.00 C ATOM 482 CG2 VAL A 27 -4.713 7.584 -1.625 1.00 0.00 C ATOM 0 H VAL A 27 -6.845 8.601 0.078 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.822 5.856 0.385 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.319 8.483 0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.443 7.027 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.145 6.618 1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.505 5.609 -0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.810 7.977 -2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.933 6.597 -2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.548 8.255 -1.828 1.00 0.00 H new ATOM 492 N ILE A 28 -5.487 6.149 2.870 1.00 0.00 N ATOM 493 CA ILE A 28 -5.395 6.362 4.303 1.00 0.00 C ATOM 494 C ILE A 28 -3.952 6.354 4.824 1.00 0.00 C ATOM 495 O ILE A 28 -3.572 7.253 5.571 1.00 0.00 O ATOM 496 CB ILE A 28 -6.303 5.378 5.104 1.00 0.00 C ATOM 497 CG1 ILE A 28 -7.786 5.661 4.803 1.00 0.00 C ATOM 498 CG2 ILE A 28 -6.042 5.458 6.606 1.00 0.00 C ATOM 499 CD1 ILE A 28 -8.259 7.055 5.184 1.00 0.00 C ATOM 0 H ILE A 28 -5.428 5.177 2.565 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.775 7.369 4.476 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.057 4.366 4.783 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.961 5.512 3.738 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.396 4.928 5.332 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.695 4.757 7.127 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.002 5.204 6.809 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.243 6.470 6.957 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.315 7.162 4.935 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.122 7.206 6.255 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.680 7.798 4.636 1.00 0.00 H new ATOM 511 N HIS A 29 -3.137 5.397 4.403 1.00 0.00 N ATOM 512 CA HIS A 29 -1.724 5.315 4.860 1.00 0.00 C ATOM 513 C HIS A 29 -0.897 4.650 3.814 1.00 0.00 C ATOM 514 O HIS A 29 -1.435 4.054 2.871 1.00 0.00 O ATOM 515 CB HIS A 29 -1.531 4.481 6.158 1.00 0.00 C ATOM 516 CG HIS A 29 -2.190 4.985 7.402 1.00 0.00 C ATOM 517 ND1 HIS A 29 -2.023 6.248 7.879 1.00 0.00 N ATOM 518 CD2 HIS A 29 -3.012 4.365 8.270 1.00 0.00 C ATOM 519 CE1 HIS A 29 -2.708 6.391 8.989 1.00 0.00 C ATOM 520 NE2 HIS A 29 -3.316 5.262 9.246 1.00 0.00 N ATOM 0 H HIS A 29 -3.411 4.663 3.750 1.00 0.00 H new ATOM 0 HA HIS A 29 -1.423 6.345 5.054 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -1.897 3.472 5.968 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.461 4.401 6.352 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.364 3.346 8.204 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -2.761 7.288 9.588 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.920 5.083 10.048 1.00 0.00 H new ATOM 529 N LEU A 30 0.392 4.683 3.996 1.00 0.00 N ATOM 530 CA LEU A 30 1.271 4.015 3.100 1.00 0.00 C ATOM 531 C LEU A 30 1.744 2.703 3.715 1.00 0.00 C ATOM 532 O LEU A 30 2.233 2.675 4.841 1.00 0.00 O ATOM 533 CB LEU A 30 2.471 4.893 2.754 1.00 0.00 C ATOM 534 CG LEU A 30 3.396 4.315 1.695 1.00 0.00 C ATOM 535 CD1 LEU A 30 2.623 4.108 0.410 1.00 0.00 C ATOM 536 CD2 LEU A 30 4.595 5.217 1.464 1.00 0.00 C ATOM 0 H LEU A 30 0.853 5.171 4.764 1.00 0.00 H new ATOM 0 HA LEU A 30 0.726 3.805 2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.108 5.862 2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.047 5.072 3.662 1.00 0.00 H new ATOM 0 HG LEU A 30 3.774 3.354 2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.285 3.694 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.799 3.418 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.228 5.064 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.239 4.778 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.254 6.197 1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.154 5.324 2.393 1.00 0.00 H new ATOM 548 N ALA A 31 1.557 1.632 3.005 1.00 0.00 N ATOM 549 CA ALA A 31 2.061 0.346 3.414 1.00 0.00 C ATOM 550 C ALA A 31 3.248 -0.023 2.533 1.00 0.00 C ATOM 551 O ALA A 31 3.639 0.738 1.660 1.00 0.00 O ATOM 552 CB ALA A 31 0.959 -0.697 3.332 1.00 0.00 C ATOM 0 H ALA A 31 1.049 1.620 2.121 1.00 0.00 H new ATOM 0 HA ALA A 31 2.396 0.387 4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.351 -1.665 3.643 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.137 -0.410 3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.598 -0.765 2.306 1.00 0.00 H new ATOM 558 N LYS A 32 3.867 -1.093 2.830 1.00 0.00 N ATOM 559 CA LYS A 32 4.921 -1.628 2.072 1.00 0.00 C ATOM 560 C LYS A 32 4.867 -3.086 2.378 1.00 0.00 C ATOM 561 O LYS A 32 5.087 -3.485 3.528 1.00 0.00 O ATOM 562 CB LYS A 32 6.320 -0.963 2.346 1.00 0.00 C ATOM 563 CG LYS A 32 6.915 -1.149 3.739 1.00 0.00 C ATOM 564 CD LYS A 32 8.318 -0.539 3.867 1.00 0.00 C ATOM 565 CE LYS A 32 8.326 0.942 4.286 1.00 0.00 C ATOM 566 NZ LYS A 32 7.590 1.846 3.369 1.00 0.00 N ATOM 0 H LYS A 32 3.640 -1.650 3.654 1.00 0.00 H new ATOM 0 HA LYS A 32 4.802 -1.426 1.007 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.030 -1.357 1.619 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.230 0.107 2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.255 -0.691 4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.963 -2.213 3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.887 -1.115 4.597 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.833 -0.638 2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.894 1.026 5.283 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.360 1.281 4.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.924 2.822 3.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.757 1.553 2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.572 1.798 3.577 1.00 0.00 H new ATOM 580 N ALA A 33 4.419 -3.843 1.456 1.00 0.00 N ATOM 581 CA ALA A 33 4.277 -5.262 1.678 1.00 0.00 C ATOM 582 C ALA A 33 5.618 -5.888 1.872 1.00 0.00 C ATOM 583 O ALA A 33 6.575 -5.512 1.207 1.00 0.00 O ATOM 584 CB ALA A 33 3.505 -5.926 0.560 1.00 0.00 C ATOM 0 H ALA A 33 4.138 -3.522 0.530 1.00 0.00 H new ATOM 0 HA ALA A 33 3.697 -5.411 2.589 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.418 -6.994 0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.509 -5.487 0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.030 -5.777 -0.383 1.00 0.00 H new ATOM 590 N CYS A 34 5.711 -6.773 2.808 1.00 0.00 N ATOM 591 CA CYS A 34 6.937 -7.445 3.063 1.00 0.00 C ATOM 592 C CYS A 34 6.738 -8.878 3.042 1.00 0.00 C ATOM 593 O CYS A 34 5.644 -9.368 3.345 1.00 0.00 O ATOM 594 CB CYS A 34 7.531 -7.137 4.447 1.00 0.00 C ATOM 595 SG CYS A 34 9.076 -8.135 4.818 1.00 0.00 S ATOM 0 H CYS A 34 4.940 -7.049 3.416 1.00 0.00 H new ATOM 0 HA CYS A 34 7.614 -7.095 2.284 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.768 -6.075 4.507 1.00 0.00 H new ATOM 0 HB3 CYS A 34 6.781 -7.340 5.212 1.00 0.00 H new ATOM 600 N CYS A 35 7.805 -9.543 2.688 1.00 0.00 N ATOM 601 CA CYS A 35 7.981 -10.917 2.910 1.00 0.00 C ATOM 602 C CYS A 35 7.067 -11.774 1.992 1.00 0.00 C ATOM 603 O CYS A 35 6.207 -11.249 1.257 1.00 0.00 O ATOM 604 CB CYS A 35 7.719 -11.172 4.429 1.00 0.00 C ATOM 605 SG CYS A 35 8.498 -9.959 5.695 1.00 0.00 S ATOM 0 H CYS A 35 8.598 -9.105 2.218 1.00 0.00 H new ATOM 0 HA CYS A 35 8.996 -11.221 2.653 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.640 -11.171 4.586 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.075 -12.175 4.665 1.00 0.00 H new ATOM 610 N ASP A 36 7.334 -13.054 1.938 1.00 0.00 N ATOM 611 CA ASP A 36 6.454 -13.988 1.225 1.00 0.00 C ATOM 612 C ASP A 36 5.169 -14.219 2.006 1.00 0.00 C ATOM 613 O ASP A 36 5.140 -14.914 3.036 1.00 0.00 O ATOM 614 CB ASP A 36 7.144 -15.313 0.866 1.00 0.00 C ATOM 615 CG ASP A 36 8.147 -15.162 -0.257 1.00 0.00 C ATOM 616 OD1 ASP A 36 7.749 -15.188 -1.439 1.00 0.00 O ATOM 617 OD2 ASP A 36 9.358 -15.017 0.011 1.00 0.00 O ATOM 0 H ASP A 36 8.148 -13.487 2.373 1.00 0.00 H new ATOM 0 HA ASP A 36 6.201 -13.519 0.274 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.649 -15.706 1.748 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.389 -16.045 0.578 1.00 0.00 H new ATOM 622 N VAL A 37 4.123 -13.613 1.523 1.00 0.00 N ATOM 623 CA VAL A 37 2.805 -13.609 2.148 1.00 0.00 C ATOM 624 C VAL A 37 1.850 -14.481 1.372 1.00 0.00 C ATOM 625 O VAL A 37 2.110 -14.785 0.201 1.00 0.00 O ATOM 626 CB VAL A 37 2.201 -12.202 2.233 1.00 0.00 C ATOM 627 CG1 VAL A 37 3.126 -11.259 2.968 1.00 0.00 C ATOM 628 CG2 VAL A 37 1.863 -11.682 0.854 1.00 0.00 C ATOM 0 H VAL A 37 4.152 -13.085 0.651 1.00 0.00 H new ATOM 0 HA VAL A 37 2.946 -13.992 3.159 1.00 0.00 H new ATOM 0 HB VAL A 37 1.274 -12.262 2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.674 -10.268 3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.294 -11.629 3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.078 -11.199 2.441 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.436 -10.683 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.769 -11.641 0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.141 -12.347 0.381 1.00 0.00 H new ATOM 638 N LYS A 38 0.800 -14.941 2.032 1.00 0.00 N ATOM 639 CA LYS A 38 -0.200 -15.744 1.378 1.00 0.00 C ATOM 640 C LYS A 38 -0.839 -14.987 0.206 1.00 0.00 C ATOM 641 O LYS A 38 -0.799 -15.484 -0.928 1.00 0.00 O ATOM 642 CB LYS A 38 -1.225 -16.343 2.378 1.00 0.00 C ATOM 643 CG LYS A 38 -2.044 -15.337 3.192 1.00 0.00 C ATOM 644 CD LYS A 38 -2.766 -16.018 4.358 1.00 0.00 C ATOM 645 CE LYS A 38 -3.754 -17.092 3.909 1.00 0.00 C ATOM 646 NZ LYS A 38 -4.945 -16.521 3.263 1.00 0.00 N ATOM 0 H LYS A 38 0.625 -14.768 3.022 1.00 0.00 H new ATOM 0 HA LYS A 38 0.298 -16.610 0.942 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.916 -16.977 1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.688 -16.989 3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.387 -14.556 3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.774 -14.851 2.544 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.027 -16.468 5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.298 -15.264 4.938 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.258 -17.771 3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.060 -17.684 4.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.578 -17.289 2.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.444 -15.906 3.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.657 -15.963 2.434 1.00 0.00 H new ATOM 660 N GLY A 39 -1.361 -13.762 0.468 1.00 0.00 N ATOM 661 CA GLY A 39 -1.947 -12.933 -0.619 1.00 0.00 C ATOM 662 C GLY A 39 -2.903 -13.695 -1.541 1.00 0.00 C ATOM 663 O GLY A 39 -2.845 -13.531 -2.763 1.00 0.00 O ATOM 0 H GLY A 39 -1.389 -13.335 1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.481 -12.094 -0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.138 -12.514 -1.218 1.00 0.00 H new ATOM 667 N GLY A 40 -3.733 -14.529 -0.952 1.00 0.00 N ATOM 668 CA GLY A 40 -4.550 -15.492 -1.683 1.00 0.00 C ATOM 669 C GLY A 40 -5.684 -14.952 -2.569 1.00 0.00 C ATOM 670 O GLY A 40 -5.445 -14.327 -3.599 1.00 0.00 O ATOM 0 H GLY A 40 -3.866 -14.563 0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.886 -16.082 -2.314 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.990 -16.175 -0.957 1.00 0.00 H new ATOM 674 N LYS A 41 -6.919 -15.209 -2.154 1.00 0.00 N ATOM 675 CA LYS A 41 -8.109 -14.990 -3.002 1.00 0.00 C ATOM 676 C LYS A 41 -8.532 -13.534 -3.098 1.00 0.00 C ATOM 677 O LYS A 41 -8.710 -12.988 -4.195 1.00 0.00 O ATOM 678 CB LYS A 41 -9.277 -15.826 -2.484 1.00 0.00 C ATOM 679 CG LYS A 41 -8.982 -17.307 -2.356 1.00 0.00 C ATOM 680 CD LYS A 41 -10.137 -18.034 -1.698 1.00 0.00 C ATOM 681 CE LYS A 41 -9.842 -19.509 -1.495 1.00 0.00 C ATOM 682 NZ LYS A 41 -9.671 -20.232 -2.773 1.00 0.00 N ATOM 0 H LYS A 41 -7.135 -15.574 -1.226 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.827 -15.301 -4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.577 -15.443 -1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.127 -15.694 -3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.795 -17.731 -3.343 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.075 -17.452 -1.770 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.354 -17.572 -0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.031 -17.925 -2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.937 -19.617 -0.896 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.655 -19.965 -0.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.590 -21.252 -2.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.494 -20.056 -3.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.809 -19.897 -3.248 1.00 0.00 H new ATOM 696 N ASN A 42 -8.724 -12.923 -1.978 1.00 0.00 N ATOM 697 CA ASN A 42 -9.115 -11.524 -1.945 1.00 0.00 C ATOM 698 C ASN A 42 -8.008 -10.714 -1.377 1.00 0.00 C ATOM 699 O ASN A 42 -8.104 -9.502 -1.222 1.00 0.00 O ATOM 700 CB ASN A 42 -10.449 -11.291 -1.199 1.00 0.00 C ATOM 701 CG ASN A 42 -10.468 -11.731 0.259 1.00 0.00 C ATOM 702 OD1 ASN A 42 -9.462 -11.692 0.975 1.00 0.00 O ATOM 703 ND2 ASN A 42 -11.601 -12.207 0.694 1.00 0.00 N ATOM 0 H ASN A 42 -8.620 -13.358 -1.061 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.300 -11.200 -2.969 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.690 -10.229 -1.243 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.240 -11.820 -1.731 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.673 -12.560 1.648 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.415 -12.227 0.080 1.00 0.00 H new ATOM 710 N GLU A 43 -6.938 -11.384 -1.103 1.00 0.00 N ATOM 711 CA GLU A 43 -5.799 -10.762 -0.513 1.00 0.00 C ATOM 712 C GLU A 43 -4.904 -10.319 -1.643 1.00 0.00 C ATOM 713 O GLU A 43 -4.905 -10.948 -2.707 1.00 0.00 O ATOM 714 CB GLU A 43 -5.077 -11.751 0.392 1.00 0.00 C ATOM 715 CG GLU A 43 -5.959 -12.378 1.455 1.00 0.00 C ATOM 716 CD GLU A 43 -5.253 -13.454 2.231 1.00 0.00 C ATOM 717 OE1 GLU A 43 -4.807 -14.457 1.614 1.00 0.00 O ATOM 718 OE2 GLU A 43 -5.141 -13.346 3.465 1.00 0.00 O ATOM 0 H GLU A 43 -6.828 -12.382 -1.283 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.089 -9.908 0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.649 -12.543 -0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.246 -11.241 0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.300 -11.604 2.142 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.847 -12.799 0.983 1.00 0.00 H new ATOM 725 N LEU A 44 -4.188 -9.247 -1.455 1.00 0.00 N ATOM 726 CA LEU A 44 -3.360 -8.719 -2.509 1.00 0.00 C ATOM 727 C LEU A 44 -2.213 -9.632 -2.750 1.00 0.00 C ATOM 728 O LEU A 44 -1.465 -9.994 -1.832 1.00 0.00 O ATOM 729 CB LEU A 44 -2.814 -7.355 -2.167 1.00 0.00 C ATOM 730 CG LEU A 44 -2.998 -6.233 -3.196 1.00 0.00 C ATOM 731 CD1 LEU A 44 -2.503 -4.912 -2.625 1.00 0.00 C ATOM 732 CD2 LEU A 44 -2.277 -6.553 -4.490 1.00 0.00 C ATOM 0 H LEU A 44 -4.159 -8.719 -0.583 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.985 -8.633 -3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.277 -7.033 -1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.746 -7.460 -1.973 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.062 -6.147 -3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.639 -4.123 -3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.070 -4.669 -1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.446 -4.997 -2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.426 -5.739 -5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.212 -6.673 -4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.674 -7.477 -4.909 1.00 0.00 H new ATOM 744 N SER A 45 -2.077 -9.990 -3.948 1.00 0.00 N ATOM 745 CA SER A 45 -0.993 -10.802 -4.355 1.00 0.00 C ATOM 746 C SER A 45 0.179 -9.882 -4.636 1.00 0.00 C ATOM 747 O SER A 45 0.367 -9.393 -5.763 1.00 0.00 O ATOM 748 CB SER A 45 -1.372 -11.642 -5.571 1.00 0.00 C ATOM 749 OG SER A 45 -2.548 -12.410 -5.298 1.00 0.00 O ATOM 0 H SER A 45 -2.718 -9.731 -4.698 1.00 0.00 H new ATOM 0 HA SER A 45 -0.721 -11.511 -3.573 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.544 -10.993 -6.430 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.549 -12.306 -5.833 1.00 0.00 H new ATOM 0 HG SER A 45 -2.509 -12.754 -4.381 1.00 0.00 H new ATOM 755 N PHE A 46 0.866 -9.540 -3.578 1.00 0.00 N ATOM 756 CA PHE A 46 1.992 -8.661 -3.627 1.00 0.00 C ATOM 757 C PHE A 46 3.249 -9.358 -3.170 1.00 0.00 C ATOM 758 O PHE A 46 3.237 -10.554 -2.827 1.00 0.00 O ATOM 759 CB PHE A 46 1.737 -7.361 -2.826 1.00 0.00 C ATOM 760 CG PHE A 46 1.189 -7.543 -1.425 1.00 0.00 C ATOM 761 CD1 PHE A 46 1.735 -8.450 -0.540 1.00 0.00 C ATOM 762 CD2 PHE A 46 0.117 -6.807 -1.007 1.00 0.00 C ATOM 763 CE1 PHE A 46 1.213 -8.602 0.722 1.00 0.00 C ATOM 764 CE2 PHE A 46 -0.408 -6.966 0.255 1.00 0.00 C ATOM 765 CZ PHE A 46 0.146 -7.868 1.118 1.00 0.00 C ATOM 0 H PHE A 46 0.649 -9.875 -2.640 1.00 0.00 H new ATOM 0 HA PHE A 46 2.137 -8.372 -4.668 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.674 -6.808 -2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.040 -6.741 -3.390 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.582 -9.047 -0.843 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.327 -6.087 -1.679 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.657 -9.312 1.403 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.259 -6.377 0.563 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.264 -7.995 2.109 1.00 0.00 H new ATOM 775 N LYS A 47 4.305 -8.617 -3.135 1.00 0.00 N ATOM 776 CA LYS A 47 5.588 -9.130 -2.814 1.00 0.00 C ATOM 777 C LYS A 47 6.222 -8.351 -1.665 1.00 0.00 C ATOM 778 O LYS A 47 5.648 -7.421 -1.145 1.00 0.00 O ATOM 779 CB LYS A 47 6.478 -9.124 -4.069 1.00 0.00 C ATOM 780 CG LYS A 47 6.005 -10.086 -5.150 1.00 0.00 C ATOM 781 CD LYS A 47 6.877 -10.021 -6.401 1.00 0.00 C ATOM 782 CE LYS A 47 8.326 -10.354 -6.097 1.00 0.00 C ATOM 783 NZ LYS A 47 9.187 -10.271 -7.294 1.00 0.00 N ATOM 0 H LYS A 47 4.297 -7.617 -3.334 1.00 0.00 H new ATOM 0 HA LYS A 47 5.483 -10.160 -2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.508 -8.115 -4.479 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.498 -9.383 -3.784 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.011 -11.103 -4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.974 -9.853 -5.415 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.493 -10.716 -7.148 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.817 -9.023 -6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.701 -9.670 -5.335 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.385 -11.359 -5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.166 -10.507 -7.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.848 -10.942 -8.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.154 -9.305 -7.679 1.00 0.00 H new ATOM 797 N GLN A 48 7.432 -8.688 -1.408 1.00 0.00 N ATOM 798 CA GLN A 48 8.249 -8.265 -0.257 1.00 0.00 C ATOM 799 C GLN A 48 8.742 -6.809 -0.347 1.00 0.00 C ATOM 800 O GLN A 48 9.256 -6.222 0.618 1.00 0.00 O ATOM 801 CB GLN A 48 9.430 -9.256 -0.136 1.00 0.00 C ATOM 802 CG GLN A 48 10.598 -8.740 0.651 1.00 0.00 C ATOM 803 CD GLN A 48 11.668 -9.762 0.898 1.00 0.00 C ATOM 804 OE1 GLN A 48 11.643 -10.475 1.892 1.00 0.00 O ATOM 805 NE2 GLN A 48 12.636 -9.818 0.026 1.00 0.00 N ATOM 0 H GLN A 48 7.946 -9.315 -2.026 1.00 0.00 H new ATOM 0 HA GLN A 48 7.627 -8.286 0.638 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.071 -10.174 0.330 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.771 -9.519 -1.137 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.034 -7.893 0.121 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.240 -8.365 1.610 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.622 -9.207 -0.791 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.407 -10.472 0.161 1.00 0.00 H new ATOM 814 N GLY A 49 8.542 -6.249 -1.441 1.00 0.00 N ATOM 815 CA GLY A 49 9.031 -4.926 -1.710 1.00 0.00 C ATOM 816 C GLY A 49 8.047 -4.163 -2.513 1.00 0.00 C ATOM 817 O GLY A 49 8.378 -3.163 -3.163 1.00 0.00 O ATOM 0 H GLY A 49 8.028 -6.674 -2.213 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.225 -4.406 -0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.979 -4.984 -2.245 1.00 0.00 H new ATOM 821 N GLU A 50 6.835 -4.644 -2.494 1.00 0.00 N ATOM 822 CA GLU A 50 5.780 -4.058 -3.247 1.00 0.00 C ATOM 823 C GLU A 50 5.219 -2.839 -2.559 1.00 0.00 C ATOM 824 O GLU A 50 4.829 -2.875 -1.374 1.00 0.00 O ATOM 825 CB GLU A 50 4.711 -5.083 -3.562 1.00 0.00 C ATOM 826 CG GLU A 50 5.026 -5.951 -4.781 1.00 0.00 C ATOM 827 CD GLU A 50 5.201 -5.148 -6.059 1.00 0.00 C ATOM 828 OE1 GLU A 50 4.201 -4.894 -6.772 1.00 0.00 O ATOM 829 OE2 GLU A 50 6.350 -4.746 -6.375 1.00 0.00 O ATOM 0 H GLU A 50 6.557 -5.460 -1.949 1.00 0.00 H new ATOM 0 HA GLU A 50 6.191 -3.715 -4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.573 -5.728 -2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.765 -4.568 -3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.936 -6.519 -4.589 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.223 -6.674 -4.921 1.00 0.00 H new ATOM 836 N GLN A 51 5.160 -1.783 -3.309 1.00 0.00 N ATOM 837 CA GLN A 51 4.738 -0.527 -2.845 1.00 0.00 C ATOM 838 C GLN A 51 3.278 -0.423 -3.012 1.00 0.00 C ATOM 839 O GLN A 51 2.749 -0.184 -4.098 1.00 0.00 O ATOM 840 CB GLN A 51 5.435 0.602 -3.587 1.00 0.00 C ATOM 841 CG GLN A 51 6.920 0.644 -3.359 1.00 0.00 C ATOM 842 CD GLN A 51 7.584 1.829 -4.019 1.00 0.00 C ATOM 843 OE1 GLN A 51 7.146 2.320 -5.067 1.00 0.00 O ATOM 844 NE2 GLN A 51 8.628 2.302 -3.411 1.00 0.00 N ATOM 0 H GLN A 51 5.417 -1.787 -4.296 1.00 0.00 H new ATOM 0 HA GLN A 51 5.000 -0.435 -1.791 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.242 0.497 -4.655 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.001 1.552 -3.276 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.117 0.674 -2.287 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.367 -0.275 -3.739 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.956 1.867 -2.549 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.120 3.108 -3.795 1.00 0.00 H new ATOM 853 N ILE A 52 2.665 -0.699 -1.963 1.00 0.00 N ATOM 854 CA ILE A 52 1.239 -0.597 -1.816 1.00 0.00 C ATOM 855 C ILE A 52 0.847 0.484 -0.827 1.00 0.00 C ATOM 856 O ILE A 52 1.616 0.886 0.004 1.00 0.00 O ATOM 857 CB ILE A 52 0.648 -1.925 -1.337 1.00 0.00 C ATOM 858 CG1 ILE A 52 1.162 -2.280 0.033 1.00 0.00 C ATOM 859 CG2 ILE A 52 1.005 -3.023 -2.288 1.00 0.00 C ATOM 860 CD1 ILE A 52 0.663 -3.594 0.490 1.00 0.00 C ATOM 0 H ILE A 52 3.136 -1.023 -1.118 1.00 0.00 H new ATOM 0 HA ILE A 52 0.843 -0.340 -2.798 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.435 -1.811 -1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.252 -2.291 0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.860 -1.511 0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.579 -3.962 -1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.607 -2.792 -3.276 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.089 -3.116 -2.346 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.059 -3.809 1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.426 -3.576 0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.987 -4.368 -0.205 1.00 0.00 H new ATOM 872 N GLU A 53 -0.333 0.944 -0.945 1.00 0.00 N ATOM 873 CA GLU A 53 -0.894 1.890 -0.021 1.00 0.00 C ATOM 874 C GLU A 53 -2.264 1.405 0.377 1.00 0.00 C ATOM 875 O GLU A 53 -2.961 0.814 -0.451 1.00 0.00 O ATOM 876 CB GLU A 53 -0.915 3.294 -0.633 1.00 0.00 C ATOM 877 CG GLU A 53 -1.259 3.310 -2.113 1.00 0.00 C ATOM 878 CD GLU A 53 -1.293 4.693 -2.692 1.00 0.00 C ATOM 879 OE1 GLU A 53 -0.328 5.462 -2.505 1.00 0.00 O ATOM 880 OE2 GLU A 53 -2.256 5.022 -3.405 1.00 0.00 O ATOM 0 H GLU A 53 -0.966 0.678 -1.699 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.280 1.964 0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.639 3.905 -0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.061 3.757 -0.491 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.527 2.712 -2.657 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.230 2.837 -2.260 1.00 0.00 H new ATOM 887 N ILE A 54 -2.636 1.570 1.634 1.00 0.00 N ATOM 888 CA ILE A 54 -3.940 1.058 2.059 1.00 0.00 C ATOM 889 C ILE A 54 -4.991 2.133 2.130 1.00 0.00 C ATOM 890 O ILE A 54 -4.720 3.312 2.452 1.00 0.00 O ATOM 891 CB ILE A 54 -3.979 0.183 3.370 1.00 0.00 C ATOM 892 CG1 ILE A 54 -3.824 1.008 4.644 1.00 0.00 C ATOM 893 CG2 ILE A 54 -2.936 -0.918 3.331 1.00 0.00 C ATOM 894 CD1 ILE A 54 -2.507 1.670 4.772 1.00 0.00 C ATOM 0 H ILE A 54 -2.085 2.033 2.357 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.170 0.361 1.253 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.971 -0.268 3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.606 1.767 4.671 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.979 0.360 5.506 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.990 -1.503 4.249 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.124 -1.567 2.476 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.944 -0.476 3.239 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.474 2.237 5.702 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.720 0.916 4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.356 2.345 3.930 1.00 0.00 H new ATOM 906 N ILE A 55 -6.174 1.709 1.844 1.00 0.00 N ATOM 907 CA ILE A 55 -7.327 2.536 1.779 1.00 0.00 C ATOM 908 C ILE A 55 -8.279 2.165 2.904 1.00 0.00 C ATOM 909 O ILE A 55 -8.629 2.985 3.727 1.00 0.00 O ATOM 910 CB ILE A 55 -8.068 2.348 0.420 1.00 0.00 C ATOM 911 CG1 ILE A 55 -7.226 2.795 -0.798 1.00 0.00 C ATOM 912 CG2 ILE A 55 -9.439 3.003 0.419 1.00 0.00 C ATOM 913 CD1 ILE A 55 -6.129 1.845 -1.224 1.00 0.00 C ATOM 0 H ILE A 55 -6.372 0.729 1.640 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.009 3.574 1.873 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.218 1.274 0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.897 2.948 -1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.776 3.761 -0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.917 2.846 -0.548 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.054 2.562 1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.331 4.072 0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.604 2.258 -2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.426 1.709 -0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.565 0.883 -1.492 1.00 0.00 H new ATOM 925 N ARG A 56 -8.675 0.924 2.945 1.00 0.00 N ATOM 926 CA ARG A 56 -9.648 0.490 3.912 1.00 0.00 C ATOM 927 C ARG A 56 -8.995 -0.039 5.164 1.00 0.00 C ATOM 928 O ARG A 56 -8.154 -0.937 5.107 1.00 0.00 O ATOM 929 CB ARG A 56 -10.595 -0.544 3.301 1.00 0.00 C ATOM 930 CG ARG A 56 -11.527 -1.207 4.296 1.00 0.00 C ATOM 931 CD ARG A 56 -12.479 -2.167 3.614 1.00 0.00 C ATOM 932 NE ARG A 56 -13.415 -1.454 2.751 1.00 0.00 N ATOM 933 CZ ARG A 56 -14.157 -1.993 1.795 1.00 0.00 C ATOM 934 NH1 ARG A 56 -14.068 -3.278 1.499 1.00 0.00 N ATOM 935 NH2 ARG A 56 -14.999 -1.229 1.140 1.00 0.00 N ATOM 0 H ARG A 56 -8.339 0.192 2.319 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.236 1.361 4.202 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.193 -0.059 2.529 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.002 -1.315 2.808 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.941 -1.743 5.042 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.097 -0.444 4.826 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.913 -2.888 3.024 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.030 -2.732 4.365 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.506 -0.449 2.897 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.418 -3.875 2.011 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.649 -3.672 0.759 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.074 -0.238 1.370 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.579 -1.626 0.401 1.00 0.00 H new ATOM 949 N ILE A 57 -9.390 0.523 6.275 1.00 0.00 N ATOM 950 CA ILE A 57 -8.925 0.122 7.577 1.00 0.00 C ATOM 951 C ILE A 57 -10.067 -0.656 8.229 1.00 0.00 C ATOM 952 O ILE A 57 -11.048 -0.062 8.685 1.00 0.00 O ATOM 953 CB ILE A 57 -8.587 1.367 8.460 1.00 0.00 C ATOM 954 CG1 ILE A 57 -7.589 2.304 7.753 1.00 0.00 C ATOM 955 CG2 ILE A 57 -8.056 0.954 9.829 1.00 0.00 C ATOM 956 CD1 ILE A 57 -6.252 1.677 7.413 1.00 0.00 C ATOM 0 H ILE A 57 -10.060 1.291 6.301 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.020 -0.478 7.485 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.517 1.915 8.611 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -8.046 2.670 6.834 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.415 3.172 8.389 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.831 1.845 10.416 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.808 0.358 10.346 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.148 0.363 9.704 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.620 2.414 6.919 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.766 1.337 8.328 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.407 0.828 6.748 1.00 0.00 H new ATOM 968 N THR A 58 -9.987 -1.958 8.211 1.00 0.00 N ATOM 969 CA THR A 58 -11.048 -2.778 8.746 1.00 0.00 C ATOM 970 C THR A 58 -10.557 -3.937 9.597 1.00 0.00 C ATOM 971 O THR A 58 -9.467 -4.474 9.388 1.00 0.00 O ATOM 972 CB THR A 58 -11.960 -3.290 7.622 1.00 0.00 C ATOM 973 OG1 THR A 58 -11.184 -3.571 6.439 1.00 0.00 O ATOM 974 CG2 THR A 58 -13.044 -2.278 7.308 1.00 0.00 C ATOM 0 H THR A 58 -9.197 -2.479 7.831 1.00 0.00 H new ATOM 0 HA THR A 58 -11.618 -2.130 9.412 1.00 0.00 H new ATOM 0 HB THR A 58 -12.436 -4.211 7.959 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.514 -4.257 6.642 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.679 -2.661 6.509 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.648 -2.103 8.199 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.586 -1.341 6.990 1.00 0.00 H new ATOM 1037 N GLY A 63 -11.126 -9.201 8.173 1.00 0.00 N ATOM 1038 CA GLY A 63 -10.072 -9.030 9.138 1.00 0.00 C ATOM 1039 C GLY A 63 -8.813 -8.575 8.456 1.00 0.00 C ATOM 1040 O GLY A 63 -7.713 -8.929 8.859 1.00 0.00 O ATOM 0 HA2 GLY A 63 -10.372 -8.299 9.889 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.892 -9.969 9.661 1.00 0.00 H new ATOM 1044 N LYS A 64 -8.982 -7.833 7.378 1.00 0.00 N ATOM 1045 CA LYS A 64 -7.877 -7.390 6.564 1.00 0.00 C ATOM 1046 C LYS A 64 -8.037 -5.923 6.242 1.00 0.00 C ATOM 1047 O LYS A 64 -9.119 -5.350 6.430 1.00 0.00 O ATOM 1048 CB LYS A 64 -7.856 -8.167 5.241 1.00 0.00 C ATOM 1049 CG LYS A 64 -7.803 -9.676 5.365 1.00 0.00 C ATOM 1050 CD LYS A 64 -6.490 -10.163 5.918 1.00 0.00 C ATOM 1051 CE LYS A 64 -6.529 -11.657 6.161 1.00 0.00 C ATOM 1052 NZ LYS A 64 -7.437 -12.010 7.277 1.00 0.00 N ATOM 0 H LYS A 64 -9.895 -7.522 7.045 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.952 -7.560 7.115 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.745 -7.899 4.670 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.993 -7.838 4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.613 -10.013 6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.970 -10.124 4.385 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.686 -9.924 5.222 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.268 -9.644 6.851 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.855 -12.164 5.253 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.524 -12.015 6.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.239 -12.981 7.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.286 -11.352 8.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.424 -11.944 6.956 1.00 0.00 H new ATOM 1066 N TRP A 65 -6.982 -5.334 5.759 1.00 0.00 N ATOM 1067 CA TRP A 65 -6.994 -3.975 5.266 1.00 0.00 C ATOM 1068 C TRP A 65 -6.977 -4.003 3.765 1.00 0.00 C ATOM 1069 O TRP A 65 -6.398 -4.891 3.185 1.00 0.00 O ATOM 1070 CB TRP A 65 -5.788 -3.196 5.783 1.00 0.00 C ATOM 1071 CG TRP A 65 -5.932 -2.719 7.188 1.00 0.00 C ATOM 1072 CD1 TRP A 65 -6.958 -2.974 8.042 1.00 0.00 C ATOM 1073 CD2 TRP A 65 -5.021 -1.887 7.897 1.00 0.00 C ATOM 1074 NE1 TRP A 65 -6.751 -2.339 9.230 1.00 0.00 N ATOM 1075 CE2 TRP A 65 -5.559 -1.669 9.172 1.00 0.00 C ATOM 1076 CE3 TRP A 65 -3.802 -1.311 7.574 1.00 0.00 C ATOM 1077 CZ2 TRP A 65 -4.917 -0.887 10.128 1.00 0.00 C ATOM 1078 CZ3 TRP A 65 -3.165 -0.540 8.511 1.00 0.00 C ATOM 1079 CH2 TRP A 65 -3.718 -0.331 9.778 1.00 0.00 C ATOM 0 H TRP A 65 -6.070 -5.787 5.693 1.00 0.00 H new ATOM 0 HA TRP A 65 -7.895 -3.476 5.622 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.903 -3.828 5.714 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -5.618 -2.337 5.134 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.814 -3.591 7.812 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.382 -2.360 10.032 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.362 -1.467 6.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -5.348 -0.726 11.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.217 -0.085 8.266 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -3.188 0.281 10.493 1.00 0.00 H new ATOM 1090 N LEU A 66 -7.611 -3.067 3.137 1.00 0.00 N ATOM 1091 CA LEU A 66 -7.640 -3.040 1.691 1.00 0.00 C ATOM 1092 C LEU A 66 -6.541 -2.138 1.179 1.00 0.00 C ATOM 1093 O LEU A 66 -6.544 -0.933 1.442 1.00 0.00 O ATOM 1094 CB LEU A 66 -9.063 -2.651 1.172 1.00 0.00 C ATOM 1095 CG LEU A 66 -9.311 -2.476 -0.359 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -8.827 -1.127 -0.868 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -8.655 -3.593 -1.151 1.00 0.00 C ATOM 0 H LEU A 66 -8.118 -2.308 3.591 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.444 -4.036 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.758 -3.411 1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.340 -1.714 1.655 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.390 -2.522 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.021 -1.051 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.356 -0.330 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.757 -1.032 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.844 -3.445 -2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.580 -3.585 -0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.069 -4.552 -0.839 1.00 0.00 H new ATOM 1109 N GLY A 67 -5.613 -2.728 0.481 1.00 0.00 N ATOM 1110 CA GLY A 67 -4.504 -2.025 -0.091 1.00 0.00 C ATOM 1111 C GLY A 67 -4.574 -2.045 -1.597 1.00 0.00 C ATOM 1112 O GLY A 67 -5.482 -2.634 -2.169 1.00 0.00 O ATOM 0 H GLY A 67 -5.607 -3.730 0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.500 -0.994 0.263 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.570 -2.480 0.240 1.00 0.00 H new ATOM 1116 N ARG A 68 -3.632 -1.414 -2.221 1.00 0.00 N ATOM 1117 CA ARG A 68 -3.503 -1.367 -3.662 1.00 0.00 C ATOM 1118 C ARG A 68 -2.048 -1.193 -4.000 1.00 0.00 C ATOM 1119 O ARG A 68 -1.347 -0.453 -3.313 1.00 0.00 O ATOM 1120 CB ARG A 68 -4.335 -0.222 -4.287 1.00 0.00 C ATOM 1121 CG ARG A 68 -3.905 1.203 -3.923 1.00 0.00 C ATOM 1122 CD ARG A 68 -4.805 2.209 -4.612 1.00 0.00 C ATOM 1123 NE ARG A 68 -4.459 3.608 -4.343 1.00 0.00 N ATOM 1124 CZ ARG A 68 -5.189 4.657 -4.748 1.00 0.00 C ATOM 1125 NH1 ARG A 68 -6.326 4.473 -5.405 1.00 0.00 N ATOM 1126 NH2 ARG A 68 -4.772 5.879 -4.499 1.00 0.00 N ATOM 0 H ARG A 68 -2.900 -0.896 -1.734 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.888 -2.298 -4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.298 -0.324 -5.372 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.375 -0.353 -3.989 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.952 1.341 -2.843 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.869 1.366 -4.220 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.766 2.037 -5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.834 2.034 -4.298 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.608 3.795 -3.813 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.652 3.527 -5.606 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.875 5.277 -5.709 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.895 6.027 -3.999 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.325 6.679 -4.806 1.00 0.00 H new ATOM 1140 N THR A 69 -1.589 -1.888 -5.000 1.00 0.00 N ATOM 1141 CA THR A 69 -0.222 -1.776 -5.442 1.00 0.00 C ATOM 1142 C THR A 69 -0.029 -0.512 -6.269 1.00 0.00 C ATOM 1143 O THR A 69 -1.007 0.207 -6.575 1.00 0.00 O ATOM 1144 CB THR A 69 0.156 -2.998 -6.296 1.00 0.00 C ATOM 1145 OG1 THR A 69 -0.831 -3.204 -7.335 1.00 0.00 O ATOM 1146 CG2 THR A 69 0.278 -4.246 -5.444 1.00 0.00 C ATOM 0 H THR A 69 -2.150 -2.551 -5.535 1.00 0.00 H new ATOM 0 HA THR A 69 0.419 -1.729 -4.561 1.00 0.00 H new ATOM 0 HB THR A 69 1.126 -2.802 -6.754 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.607 -4.011 -7.844 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.546 -5.093 -6.076 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.050 -4.097 -4.689 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.675 -4.446 -4.954 1.00 0.00 H new ATOM 1154 N ALA A 70 1.206 -0.257 -6.675 1.00 0.00 N ATOM 1155 CA ALA A 70 1.519 0.877 -7.534 1.00 0.00 C ATOM 1156 C ALA A 70 0.969 0.613 -8.936 1.00 0.00 C ATOM 1157 O ALA A 70 0.763 1.523 -9.735 1.00 0.00 O ATOM 1158 CB ALA A 70 3.023 1.110 -7.576 1.00 0.00 C ATOM 0 H ALA A 70 2.014 -0.825 -6.421 1.00 0.00 H new ATOM 0 HA ALA A 70 1.053 1.777 -7.134 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.242 1.960 -8.222 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.388 1.315 -6.570 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.518 0.221 -7.967 1.00 0.00 H new ATOM 1164 N ARG A 71 0.691 -0.656 -9.187 1.00 0.00 N ATOM 1165 CA ARG A 71 0.110 -1.128 -10.433 1.00 0.00 C ATOM 1166 C ARG A 71 -1.389 -0.860 -10.461 1.00 0.00 C ATOM 1167 O ARG A 71 -2.025 -0.951 -11.516 1.00 0.00 O ATOM 1168 CB ARG A 71 0.342 -2.621 -10.569 1.00 0.00 C ATOM 1169 CG ARG A 71 1.793 -3.012 -10.712 1.00 0.00 C ATOM 1170 CD ARG A 71 1.950 -4.515 -10.649 1.00 0.00 C ATOM 1171 NE ARG A 71 1.131 -5.210 -11.647 1.00 0.00 N ATOM 1172 CZ ARG A 71 0.809 -6.501 -11.584 1.00 0.00 C ATOM 1173 NH1 ARG A 71 1.257 -7.256 -10.572 1.00 0.00 N ATOM 1174 NH2 ARG A 71 0.026 -7.031 -12.520 1.00 0.00 N ATOM 0 H ARG A 71 0.867 -1.403 -8.515 1.00 0.00 H new ATOM 0 HA ARG A 71 0.585 -0.596 -11.257 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.073 -3.123 -9.695 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.208 -2.985 -11.437 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.183 -2.640 -11.659 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.380 -2.546 -9.920 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.998 -4.774 -10.801 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.676 -4.864 -9.653 1.00 0.00 H new ATOM 0 HE ARG A 71 0.786 -4.670 -12.441 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.845 -6.842 -9.849 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.010 -8.244 -10.525 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.325 -6.449 -13.281 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.224 -8.019 -12.477 1.00 0.00 H new ATOM 1188 N GLY A 72 -1.949 -0.565 -9.301 1.00 0.00 N ATOM 1189 CA GLY A 72 -3.360 -0.278 -9.202 1.00 0.00 C ATOM 1190 C GLY A 72 -4.182 -1.515 -8.906 1.00 0.00 C ATOM 1191 O GLY A 72 -5.393 -1.529 -9.128 1.00 0.00 O ATOM 0 H GLY A 72 -1.443 -0.519 -8.416 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.524 0.460 -8.417 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.703 0.168 -10.135 1.00 0.00 H new ATOM 1195 N SER A 73 -3.543 -2.549 -8.399 1.00 0.00 N ATOM 1196 CA SER A 73 -4.219 -3.766 -8.086 1.00 0.00 C ATOM 1197 C SER A 73 -4.524 -3.768 -6.601 1.00 0.00 C ATOM 1198 O SER A 73 -3.619 -3.722 -5.770 1.00 0.00 O ATOM 1199 CB SER A 73 -3.349 -4.962 -8.480 1.00 0.00 C ATOM 1200 OG SER A 73 -2.953 -4.870 -9.855 1.00 0.00 O ATOM 0 H SER A 73 -2.543 -2.558 -8.197 1.00 0.00 H new ATOM 0 HA SER A 73 -5.152 -3.844 -8.644 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.465 -5.000 -7.844 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.900 -5.888 -8.316 1.00 0.00 H new ATOM 0 HG SER A 73 -2.396 -5.642 -10.087 1.00 0.00 H new ATOM 1206 N TYR A 74 -5.780 -3.727 -6.291 1.00 0.00 N ATOM 1207 CA TYR A 74 -6.256 -3.690 -4.914 1.00 0.00 C ATOM 1208 C TYR A 74 -6.318 -5.084 -4.324 1.00 0.00 C ATOM 1209 O TYR A 74 -6.512 -6.061 -5.049 1.00 0.00 O ATOM 1210 CB TYR A 74 -7.644 -3.050 -4.846 1.00 0.00 C ATOM 1211 CG TYR A 74 -7.704 -1.585 -5.221 1.00 0.00 C ATOM 1212 CD1 TYR A 74 -7.539 -1.166 -6.532 1.00 0.00 C ATOM 1213 CD2 TYR A 74 -7.955 -0.623 -4.260 1.00 0.00 C ATOM 1214 CE1 TYR A 74 -7.624 0.160 -6.870 1.00 0.00 C ATOM 1215 CE2 TYR A 74 -8.039 0.710 -4.590 1.00 0.00 C ATOM 1216 CZ TYR A 74 -7.874 1.094 -5.898 1.00 0.00 C ATOM 1217 OH TYR A 74 -7.961 2.421 -6.235 1.00 0.00 O ATOM 0 H TYR A 74 -6.528 -3.718 -6.985 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.552 -3.093 -4.335 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.313 -3.604 -5.505 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.028 -3.164 -3.832 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.340 -1.897 -7.301 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.088 -0.924 -3.231 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.495 0.467 -7.897 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.233 1.449 -3.826 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.576 2.875 -5.621 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.141 -5.180 -3.029 1.00 0.00 N ATOM 1228 CA GLY A 75 -6.232 -6.458 -2.363 1.00 0.00 C ATOM 1229 C GLY A 75 -6.225 -6.326 -0.869 1.00 0.00 C ATOM 1230 O GLY A 75 -5.716 -5.339 -0.337 1.00 0.00 O ATOM 0 H GLY A 75 -5.934 -4.392 -2.416 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.146 -6.964 -2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.397 -7.087 -2.673 1.00 0.00 H new ATOM 1234 N TYR A 76 -6.812 -7.291 -0.190 1.00 0.00 N ATOM 1235 CA TYR A 76 -6.793 -7.325 1.247 1.00 0.00 C ATOM 1236 C TYR A 76 -5.430 -7.726 1.760 1.00 0.00 C ATOM 1237 O TYR A 76 -4.727 -8.529 1.158 1.00 0.00 O ATOM 1238 CB TYR A 76 -7.894 -8.211 1.828 1.00 0.00 C ATOM 1239 CG TYR A 76 -9.253 -7.547 1.876 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -9.432 -6.384 2.615 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -10.348 -8.077 1.218 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -10.655 -5.765 2.695 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -11.588 -7.456 1.290 1.00 0.00 C ATOM 1244 CZ TYR A 76 -11.729 -6.299 2.033 1.00 0.00 C ATOM 1245 OH TYR A 76 -12.946 -5.669 2.108 1.00 0.00 O ATOM 0 H TYR A 76 -7.312 -8.068 -0.622 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.001 -6.312 1.592 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.966 -9.122 1.233 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.611 -8.511 2.837 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.590 -5.957 3.139 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.237 -8.984 0.642 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.770 -4.862 3.277 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.437 -7.874 0.769 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.606 -6.169 1.585 1.00 0.00 H new ATOM 1255 N ILE A 77 -5.049 -7.138 2.829 1.00 0.00 N ATOM 1256 CA ILE A 77 -3.763 -7.326 3.396 1.00 0.00 C ATOM 1257 C ILE A 77 -3.913 -7.672 4.850 1.00 0.00 C ATOM 1258 O ILE A 77 -4.746 -7.073 5.542 1.00 0.00 O ATOM 1259 CB ILE A 77 -2.981 -5.984 3.347 1.00 0.00 C ATOM 1260 CG1 ILE A 77 -2.929 -5.417 1.948 1.00 0.00 C ATOM 1261 CG2 ILE A 77 -1.575 -6.195 3.832 1.00 0.00 C ATOM 1262 CD1 ILE A 77 -2.482 -3.995 1.888 1.00 0.00 C ATOM 0 H ILE A 77 -5.639 -6.492 3.353 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.246 -8.112 2.845 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.506 -5.277 3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.255 -6.025 1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.918 -5.496 1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.032 -5.251 3.795 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.595 -6.562 4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.076 -6.925 3.195 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.471 -3.661 0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.169 -3.373 2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.479 -3.911 2.307 1.00 0.00 H new ATOM 1274 N LYS A 78 -3.160 -8.642 5.319 1.00 0.00 N ATOM 1275 CA LYS A 78 -3.048 -8.830 6.736 1.00 0.00 C ATOM 1276 C LYS A 78 -2.247 -7.659 7.243 1.00 0.00 C ATOM 1277 O LYS A 78 -1.267 -7.288 6.615 1.00 0.00 O ATOM 1278 CB LYS A 78 -2.299 -10.106 7.105 1.00 0.00 C ATOM 1279 CG LYS A 78 -3.016 -11.401 6.835 1.00 0.00 C ATOM 1280 CD LYS A 78 -2.305 -12.522 7.559 1.00 0.00 C ATOM 1281 CE LYS A 78 -3.038 -13.840 7.449 1.00 0.00 C ATOM 1282 NZ LYS A 78 -2.404 -14.874 8.290 1.00 0.00 N ATOM 0 H LYS A 78 -2.628 -9.298 4.747 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.046 -8.906 7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.355 -10.118 6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.055 -10.065 8.167 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.051 -11.334 7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.040 -11.601 5.764 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.300 -12.634 7.151 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.195 -12.258 8.611 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.077 -13.708 7.751 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.048 -14.168 6.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.927 -15.768 8.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.420 -15.015 7.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.417 -14.569 9.284 1.00 0.00 H new ATOM 1296 N THR A 79 -2.596 -7.118 8.361 1.00 0.00 N ATOM 1297 CA THR A 79 -1.941 -5.914 8.870 1.00 0.00 C ATOM 1298 C THR A 79 -0.457 -6.132 9.228 1.00 0.00 C ATOM 1299 O THR A 79 0.279 -5.195 9.519 1.00 0.00 O ATOM 1300 CB THR A 79 -2.721 -5.376 10.061 1.00 0.00 C ATOM 1301 OG1 THR A 79 -2.879 -6.418 11.046 1.00 0.00 O ATOM 1302 CG2 THR A 79 -4.077 -4.958 9.592 1.00 0.00 C ATOM 0 H THR A 79 -3.337 -7.480 8.961 1.00 0.00 H new ATOM 0 HA THR A 79 -1.943 -5.177 8.067 1.00 0.00 H new ATOM 0 HB THR A 79 -2.187 -4.533 10.499 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.380 -6.070 11.813 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.650 -4.570 10.434 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.976 -4.182 8.833 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.595 -5.817 9.166 1.00 0.00 H new ATOM 1310 N THR A 80 -0.045 -7.364 9.160 1.00 0.00 N ATOM 1311 CA THR A 80 1.277 -7.772 9.474 1.00 0.00 C ATOM 1312 C THR A 80 2.058 -8.112 8.181 1.00 0.00 C ATOM 1313 O THR A 80 3.281 -8.222 8.190 1.00 0.00 O ATOM 1314 CB THR A 80 1.194 -8.992 10.405 1.00 0.00 C ATOM 1315 OG1 THR A 80 2.493 -9.467 10.785 1.00 0.00 O ATOM 1316 CG2 THR A 80 0.377 -10.100 9.755 1.00 0.00 C ATOM 0 H THR A 80 -0.649 -8.134 8.873 1.00 0.00 H new ATOM 0 HA THR A 80 1.812 -6.965 9.975 1.00 0.00 H new ATOM 0 HB THR A 80 0.691 -8.676 11.319 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.398 -10.242 11.378 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.327 -10.957 10.426 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.631 -9.738 9.553 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.849 -10.399 8.819 1.00 0.00 H new ATOM 1324 N ALA A 81 1.336 -8.220 7.059 1.00 0.00 N ATOM 1325 CA ALA A 81 1.962 -8.543 5.759 1.00 0.00 C ATOM 1326 C ALA A 81 2.636 -7.313 5.202 1.00 0.00 C ATOM 1327 O ALA A 81 3.387 -7.379 4.229 1.00 0.00 O ATOM 1328 CB ALA A 81 0.941 -9.088 4.731 1.00 0.00 C ATOM 0 H ALA A 81 0.325 -8.091 7.019 1.00 0.00 H new ATOM 0 HA ALA A 81 2.696 -9.329 5.937 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.451 -9.310 3.794 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.484 -9.998 5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.168 -8.340 4.555 1.00 0.00 H new ATOM 1334 N VAL A 82 2.362 -6.187 5.822 1.00 0.00 N ATOM 1335 CA VAL A 82 2.893 -4.924 5.380 1.00 0.00 C ATOM 1336 C VAL A 82 3.416 -4.127 6.520 1.00 0.00 C ATOM 1337 O VAL A 82 2.977 -4.289 7.659 1.00 0.00 O ATOM 1338 CB VAL A 82 1.851 -4.069 4.605 1.00 0.00 C ATOM 1339 CG1 VAL A 82 1.465 -4.771 3.364 1.00 0.00 C ATOM 1340 CG2 VAL A 82 0.599 -3.806 5.421 1.00 0.00 C ATOM 0 H VAL A 82 1.765 -6.125 6.646 1.00 0.00 H new ATOM 0 HA VAL A 82 3.707 -5.171 4.698 1.00 0.00 H new ATOM 0 HB VAL A 82 2.320 -3.110 4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.734 -4.173 2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.347 -4.921 2.742 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.028 -5.738 3.614 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.097 -3.205 4.836 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.129 -4.754 5.682 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.864 -3.269 6.332 1.00 0.00 H new ATOM 1350 N GLU A 83 4.348 -3.287 6.216 1.00 0.00 N ATOM 1351 CA GLU A 83 4.861 -2.369 7.164 1.00 0.00 C ATOM 1352 C GLU A 83 4.110 -1.082 6.937 1.00 0.00 C ATOM 1353 O GLU A 83 4.346 -0.373 5.949 1.00 0.00 O ATOM 1354 CB GLU A 83 6.362 -2.147 6.949 1.00 0.00 C ATOM 1355 CG GLU A 83 7.198 -3.419 6.934 1.00 0.00 C ATOM 1356 CD GLU A 83 7.130 -4.179 8.227 1.00 0.00 C ATOM 1357 OE1 GLU A 83 7.864 -3.832 9.170 1.00 0.00 O ATOM 1358 OE2 GLU A 83 6.363 -5.150 8.326 1.00 0.00 O ATOM 0 H GLU A 83 4.776 -3.222 5.292 1.00 0.00 H new ATOM 0 HA GLU A 83 4.735 -2.740 8.181 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.506 -1.623 6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.735 -1.493 7.737 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.857 -4.062 6.122 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.236 -3.163 6.723 1.00 0.00 H new ATOM 1365 N ILE A 84 3.148 -0.843 7.758 1.00 0.00 N ATOM 1366 CA ILE A 84 2.336 0.342 7.662 1.00 0.00 C ATOM 1367 C ILE A 84 3.108 1.529 8.184 1.00 0.00 C ATOM 1368 O ILE A 84 3.727 1.455 9.239 1.00 0.00 O ATOM 1369 CB ILE A 84 1.006 0.157 8.437 1.00 0.00 C ATOM 1370 CG1 ILE A 84 0.130 -0.870 7.733 1.00 0.00 C ATOM 1371 CG2 ILE A 84 0.244 1.478 8.640 1.00 0.00 C ATOM 1372 CD1 ILE A 84 -0.346 -0.413 6.390 1.00 0.00 C ATOM 0 H ILE A 84 2.892 -1.464 8.526 1.00 0.00 H new ATOM 0 HA ILE A 84 2.086 0.521 6.616 1.00 0.00 H new ATOM 0 HB ILE A 84 1.261 -0.207 9.432 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.690 -1.798 7.617 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.732 -1.094 8.361 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.678 1.286 9.188 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.864 2.173 9.206 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.005 1.913 7.670 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.965 -1.189 5.940 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.932 0.499 6.503 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.512 -0.216 5.748 1.00 0.00 H new ATOM 1384 N ASP A 85 3.115 2.586 7.423 1.00 0.00 N ATOM 1385 CA ASP A 85 3.786 3.784 7.821 1.00 0.00 C ATOM 1386 C ASP A 85 2.943 4.589 8.733 1.00 0.00 C ATOM 1387 O ASP A 85 1.823 5.013 8.409 1.00 0.00 O ATOM 1388 CB ASP A 85 4.207 4.611 6.658 1.00 0.00 C ATOM 1389 CG ASP A 85 4.792 5.957 7.043 1.00 0.00 C ATOM 1390 OD1 ASP A 85 4.021 6.913 7.250 1.00 0.00 O ATOM 1391 OD2 ASP A 85 6.023 6.081 7.127 1.00 0.00 O ATOM 0 H ASP A 85 2.657 2.639 6.513 1.00 0.00 H new ATOM 0 HA ASP A 85 4.687 3.472 8.350 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.945 4.057 6.078 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.347 4.772 6.008 1.00 0.00 H new