USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 728 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 Set 1.1: A 106 TYR OH : rot -152:sc= 1.94 USER MOD Set 1.2: A 108 SER OG : rot -109:sc= 1.9 USER MOD Set 1.3: A 110 SER OG : rot -5:sc= 1.78 USER MOD Set 2.1: A 63 SER OG : rot -75:sc= 0.487 USER MOD Set 2.2: A 64 THR OG1 : rot 84:sc= 1.19 USER MOD Single : A 18 THR OG1 : rot -28:sc= 0.0697 USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= -0.0241 (180deg=-0.391) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 75:sc= 0.0157 USER MOD Single : A 36 SER OG : rot -16:sc= 0.224 USER MOD Single : A 37 LYS NZ :NH3+ -114:sc= -0.326 (180deg=-1.69!) USER MOD Single : A 39 CYS SG : rot -166:sc= -0.236! USER MOD Single : A 40 SER OG : rot -177:sc= -2.71! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -82:sc= -0.224! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 61:sc= -2.73! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS :FLIP no HD1:sc= -0.159 F(o=-1,f=-0.16) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 169:sc= -0.195 (180deg=-0.246) USER MOD Single : A 79 CYS SG : rot 180:sc= -0.098 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -125:sc= -0.445 (180deg=-0.516) USER MOD Single : A 107 CYS SG : rot 26:sc=0.000961 USER MOD ----------------------------------------------------------------- ATOM 292 N THR A 18 2.831 -22.971 7.582 1.00 0.00 N ATOM 293 CA THR A 18 2.966 -21.610 7.053 1.00 0.00 C ATOM 294 C THR A 18 3.877 -20.777 7.939 1.00 0.00 C ATOM 295 O THR A 18 4.135 -21.133 9.089 1.00 0.00 O ATOM 296 CB THR A 18 1.590 -20.950 6.971 1.00 0.00 C ATOM 297 OG1 THR A 18 1.031 -20.860 8.275 1.00 0.00 O ATOM 298 CG2 THR A 18 0.675 -21.785 6.074 1.00 0.00 C ATOM 0 HA THR A 18 3.405 -21.668 6.057 1.00 0.00 H new ATOM 0 HB THR A 18 1.690 -19.949 6.550 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.386 -21.583 8.834 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.306 -21.314 6.016 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.106 -21.850 5.075 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.572 -22.787 6.491 1.00 0.00 H new ATOM 306 N ARG A 19 4.369 -19.663 7.397 1.00 0.00 N ATOM 307 CA ARG A 19 5.258 -18.782 8.151 1.00 0.00 C ATOM 308 C ARG A 19 4.892 -17.329 7.899 1.00 0.00 C ATOM 309 O ARG A 19 4.294 -17.003 6.877 1.00 0.00 O ATOM 310 CB ARG A 19 6.710 -19.027 7.736 1.00 0.00 C ATOM 311 CG ARG A 19 7.143 -20.422 8.193 1.00 0.00 C ATOM 312 CD ARG A 19 8.591 -20.671 7.776 1.00 0.00 C ATOM 313 NE ARG A 19 9.005 -22.014 8.162 1.00 0.00 N ATOM 314 CZ ARG A 19 10.286 -22.366 8.163 1.00 0.00 C ATOM 315 NH1 ARG A 19 11.200 -21.502 7.813 1.00 0.00 N ATOM 316 NH2 ARG A 19 10.632 -23.573 8.511 1.00 0.00 N ATOM 0 H ARG A 19 4.169 -19.352 6.447 1.00 0.00 H new ATOM 0 HA ARG A 19 5.147 -18.997 9.214 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.810 -18.940 6.654 1.00 0.00 H new ATOM 0 HB3 ARG A 19 7.358 -18.270 8.178 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.046 -20.508 9.275 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.492 -21.178 7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.692 -20.548 6.698 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.243 -19.934 8.244 1.00 0.00 H new ATOM 0 HE ARG A 19 8.298 -22.696 8.436 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.930 -20.557 7.539 1.00 0.00 H new ATOM 0 HH12 ARG A 19 12.184 -21.772 7.814 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.919 -24.249 8.783 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.616 -23.841 8.511 1.00 0.00 H new ATOM 330 N LYS A 20 5.249 -16.462 8.841 1.00 0.00 N ATOM 331 CA LYS A 20 4.955 -15.033 8.716 1.00 0.00 C ATOM 332 C LYS A 20 6.234 -14.256 8.434 1.00 0.00 C ATOM 333 O LYS A 20 7.299 -14.588 8.951 1.00 0.00 O ATOM 334 CB LYS A 20 4.319 -14.517 10.006 1.00 0.00 C ATOM 335 CG LYS A 20 2.942 -15.159 10.187 1.00 0.00 C ATOM 336 CD LYS A 20 2.315 -14.663 11.490 1.00 0.00 C ATOM 337 CE LYS A 20 0.967 -15.354 11.702 1.00 0.00 C ATOM 338 NZ LYS A 20 0.019 -14.926 10.636 1.00 0.00 N ATOM 0 H LYS A 20 5.740 -16.719 9.697 1.00 0.00 H new ATOM 0 HA LYS A 20 4.261 -14.891 7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.957 -14.752 10.858 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.224 -13.432 9.969 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.299 -14.909 9.343 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.035 -16.245 10.206 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.979 -14.873 12.329 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.180 -13.582 11.453 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.093 -16.436 11.679 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.566 -15.101 12.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.955 -15.136 10.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.118 -13.904 10.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.231 -15.439 9.757 1.00 0.00 H new ATOM 352 N ILE A 21 6.120 -13.220 7.608 1.00 0.00 N ATOM 353 CA ILE A 21 7.268 -12.388 7.252 1.00 0.00 C ATOM 354 C ILE A 21 6.904 -10.913 7.364 1.00 0.00 C ATOM 355 O ILE A 21 5.792 -10.504 7.007 1.00 0.00 O ATOM 356 CB ILE A 21 7.719 -12.702 5.825 1.00 0.00 C ATOM 357 CG1 ILE A 21 8.941 -11.850 5.487 1.00 0.00 C ATOM 358 CG2 ILE A 21 6.590 -12.390 4.844 1.00 0.00 C ATOM 359 CD1 ILE A 21 9.554 -12.330 4.172 1.00 0.00 C ATOM 0 H ILE A 21 5.243 -12.935 7.171 1.00 0.00 H new ATOM 0 HA ILE A 21 8.084 -12.605 7.941 1.00 0.00 H new ATOM 0 HB ILE A 21 7.975 -13.759 5.749 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.654 -10.802 5.405 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.677 -11.917 6.289 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.917 -12.616 3.829 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.718 -12.997 5.088 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.328 -11.334 4.914 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.426 -11.721 3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.856 -13.373 4.271 1.00 0.00 H new ATOM 0 HD13 ILE A 21 8.818 -12.240 3.373 1.00 0.00 H new ATOM 371 N LYS A 22 7.845 -10.116 7.868 1.00 0.00 N ATOM 372 CA LYS A 22 7.624 -8.679 8.029 1.00 0.00 C ATOM 373 C LYS A 22 8.735 -7.892 7.346 1.00 0.00 C ATOM 374 O LYS A 22 8.860 -6.686 7.545 1.00 0.00 O ATOM 375 CB LYS A 22 7.588 -8.326 9.513 1.00 0.00 C ATOM 376 CG LYS A 22 6.438 -9.080 10.183 1.00 0.00 C ATOM 377 CD LYS A 22 6.379 -8.711 11.667 1.00 0.00 C ATOM 378 CE LYS A 22 5.214 -9.447 12.338 1.00 0.00 C ATOM 379 NZ LYS A 22 5.634 -10.836 12.672 1.00 0.00 N ATOM 0 H LYS A 22 8.764 -10.439 8.171 1.00 0.00 H new ATOM 0 HA LYS A 22 6.671 -8.418 7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.535 -8.590 9.985 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.457 -7.251 9.640 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.494 -8.830 9.698 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.580 -10.155 10.070 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.317 -8.975 12.155 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.254 -7.634 11.779 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.909 -8.920 13.242 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.350 -9.466 11.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.845 -11.337 13.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.905 -11.336 11.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.446 -10.807 13.321 1.00 0.00 H new ATOM 393 N ILE A 23 9.542 -8.582 6.543 1.00 0.00 N ATOM 394 CA ILE A 23 10.642 -7.929 5.838 1.00 0.00 C ATOM 395 C ILE A 23 10.173 -7.383 4.497 1.00 0.00 C ATOM 396 O ILE A 23 10.036 -8.122 3.528 1.00 0.00 O ATOM 397 CB ILE A 23 11.787 -8.928 5.614 1.00 0.00 C ATOM 398 CG1 ILE A 23 12.513 -9.181 6.940 1.00 0.00 C ATOM 399 CG2 ILE A 23 12.783 -8.366 4.588 1.00 0.00 C ATOM 400 CD1 ILE A 23 11.520 -9.676 7.997 1.00 0.00 C ATOM 0 H ILE A 23 9.457 -9.583 6.365 1.00 0.00 H new ATOM 0 HA ILE A 23 10.997 -7.099 6.449 1.00 0.00 H new ATOM 0 HB ILE A 23 11.373 -9.863 5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 23 13.302 -9.919 6.797 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.993 -8.264 7.282 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.591 -9.081 4.436 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.271 -8.191 3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.195 -7.427 4.957 1.00 0.00 H new ATOM 0 HD11 ILE A 23 12.046 -9.853 8.935 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.747 -8.923 8.150 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.060 -10.604 7.658 1.00 0.00 H new ATOM 412 N THR A 24 9.935 -6.078 4.450 1.00 0.00 N ATOM 413 CA THR A 24 9.492 -5.430 3.217 1.00 0.00 C ATOM 414 C THR A 24 10.156 -4.068 3.065 1.00 0.00 C ATOM 415 O THR A 24 10.404 -3.375 4.050 1.00 0.00 O ATOM 416 CB THR A 24 7.973 -5.263 3.233 1.00 0.00 C ATOM 417 OG1 THR A 24 7.600 -4.430 4.321 1.00 0.00 O ATOM 418 CG2 THR A 24 7.313 -6.637 3.389 1.00 0.00 C ATOM 0 H THR A 24 10.040 -5.448 5.246 1.00 0.00 H new ATOM 0 HA THR A 24 9.777 -6.057 2.373 1.00 0.00 H new ATOM 0 HB THR A 24 7.646 -4.806 2.299 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.626 -4.321 4.331 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.229 -6.521 3.401 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.600 -7.276 2.554 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.639 -7.093 4.324 1.00 0.00 H new ATOM 426 N PHE A 25 10.437 -3.689 1.823 1.00 0.00 N ATOM 427 CA PHE A 25 11.070 -2.402 1.547 1.00 0.00 C ATOM 428 C PHE A 25 10.012 -1.349 1.249 1.00 0.00 C ATOM 429 O PHE A 25 9.039 -1.620 0.550 1.00 0.00 O ATOM 430 CB PHE A 25 12.017 -2.528 0.351 1.00 0.00 C ATOM 431 CG PHE A 25 13.271 -3.259 0.774 1.00 0.00 C ATOM 432 CD1 PHE A 25 14.146 -2.662 1.691 1.00 0.00 C ATOM 433 CD2 PHE A 25 13.560 -4.528 0.258 1.00 0.00 C ATOM 434 CE1 PHE A 25 15.308 -3.332 2.090 1.00 0.00 C ATOM 435 CE2 PHE A 25 14.722 -5.197 0.655 1.00 0.00 C ATOM 436 CZ PHE A 25 15.596 -4.601 1.570 1.00 0.00 C ATOM 0 H PHE A 25 10.238 -4.250 0.995 1.00 0.00 H new ATOM 0 HA PHE A 25 11.639 -2.099 2.426 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.526 -3.066 -0.460 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.271 -1.539 -0.031 1.00 0.00 H new ATOM 0 HD1 PHE A 25 13.923 -1.684 2.090 1.00 0.00 H new ATOM 0 HD2 PHE A 25 12.885 -4.990 -0.447 1.00 0.00 H new ATOM 0 HE1 PHE A 25 15.982 -2.872 2.798 1.00 0.00 H new ATOM 0 HE2 PHE A 25 14.945 -6.175 0.255 1.00 0.00 H new ATOM 0 HZ PHE A 25 16.493 -5.119 1.876 1.00 0.00 H new ATOM 446 N ALA A 26 10.215 -0.147 1.780 1.00 0.00 N ATOM 447 CA ALA A 26 9.272 0.954 1.568 1.00 0.00 C ATOM 448 C ALA A 26 9.836 1.952 0.562 1.00 0.00 C ATOM 449 O ALA A 26 11.022 2.282 0.598 1.00 0.00 O ATOM 450 CB ALA A 26 8.995 1.663 2.892 1.00 0.00 C ATOM 0 H ALA A 26 11.020 0.092 2.359 1.00 0.00 H new ATOM 0 HA ALA A 26 8.342 0.544 1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 26 8.293 2.481 2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.567 0.955 3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.927 2.060 3.294 1.00 0.00 H new ATOM 456 N LEU A 27 8.978 2.423 -0.335 1.00 0.00 N ATOM 457 CA LEU A 27 9.401 3.380 -1.351 1.00 0.00 C ATOM 458 C LEU A 27 9.861 4.677 -0.699 1.00 0.00 C ATOM 459 O LEU A 27 10.844 5.279 -1.125 1.00 0.00 O ATOM 460 CB LEU A 27 8.239 3.670 -2.305 1.00 0.00 C ATOM 461 CG LEU A 27 7.661 2.349 -2.823 1.00 0.00 C ATOM 462 CD1 LEU A 27 6.465 2.639 -3.735 1.00 0.00 C ATOM 463 CD2 LEU A 27 8.736 1.584 -3.611 1.00 0.00 C ATOM 0 H LEU A 27 7.993 2.161 -0.380 1.00 0.00 H new ATOM 0 HA LEU A 27 10.233 2.951 -1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.466 4.241 -1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.583 4.281 -3.140 1.00 0.00 H new ATOM 0 HG LEU A 27 7.336 1.742 -1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.053 1.700 -4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.700 3.175 -3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.790 3.249 -4.578 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.320 0.645 -3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.067 2.188 -4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.585 1.375 -2.960 1.00 0.00 H new ATOM 475 N ASP A 28 9.143 5.100 0.337 1.00 0.00 N ATOM 476 CA ASP A 28 9.488 6.331 1.045 1.00 0.00 C ATOM 477 C ASP A 28 9.033 6.256 2.499 1.00 0.00 C ATOM 478 O ASP A 28 8.413 5.278 2.916 1.00 0.00 O ATOM 479 CB ASP A 28 8.825 7.527 0.361 1.00 0.00 C ATOM 480 CG ASP A 28 9.070 7.471 -1.143 1.00 0.00 C ATOM 481 OD1 ASP A 28 10.074 8.009 -1.581 1.00 0.00 O ATOM 482 OD2 ASP A 28 8.250 6.890 -1.836 1.00 0.00 O ATOM 0 H ASP A 28 8.325 4.614 0.704 1.00 0.00 H new ATOM 0 HA ASP A 28 10.571 6.453 1.021 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.754 7.524 0.563 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.224 8.456 0.768 1.00 0.00 H new ATOM 487 N ALA A 29 9.347 7.295 3.263 1.00 0.00 N ATOM 488 CA ALA A 29 8.968 7.339 4.671 1.00 0.00 C ATOM 489 C ALA A 29 7.450 7.340 4.816 1.00 0.00 C ATOM 490 O ALA A 29 6.906 6.756 5.751 1.00 0.00 O ATOM 491 CB ALA A 29 9.548 8.592 5.331 1.00 0.00 C ATOM 0 H ALA A 29 9.860 8.114 2.935 1.00 0.00 H new ATOM 0 HA ALA A 29 9.368 6.453 5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.260 8.616 6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.635 8.574 5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.163 9.479 4.829 1.00 0.00 H new ATOM 497 N THR A 30 6.772 8.005 3.884 1.00 0.00 N ATOM 498 CA THR A 30 5.314 8.076 3.922 1.00 0.00 C ATOM 499 C THR A 30 4.706 6.681 3.813 1.00 0.00 C ATOM 500 O THR A 30 3.825 6.313 4.590 1.00 0.00 O ATOM 501 CB THR A 30 4.807 8.946 2.769 1.00 0.00 C ATOM 502 OG1 THR A 30 5.314 10.266 2.914 1.00 0.00 O ATOM 503 CG2 THR A 30 3.279 8.976 2.785 1.00 0.00 C ATOM 0 H THR A 30 7.203 8.497 3.101 1.00 0.00 H new ATOM 0 HA THR A 30 5.014 8.517 4.873 1.00 0.00 H new ATOM 0 HB THR A 30 5.148 8.530 1.821 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.991 10.823 2.175 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.919 9.596 1.964 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.894 7.963 2.671 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.933 9.391 3.732 1.00 0.00 H new ATOM 511 N PHE A 31 5.189 5.906 2.850 1.00 0.00 N ATOM 512 CA PHE A 31 4.690 4.550 2.652 1.00 0.00 C ATOM 513 C PHE A 31 5.105 3.652 3.813 1.00 0.00 C ATOM 514 O PHE A 31 4.438 2.662 4.115 1.00 0.00 O ATOM 515 CB PHE A 31 5.229 3.977 1.340 1.00 0.00 C ATOM 516 CG PHE A 31 4.636 4.739 0.176 1.00 0.00 C ATOM 517 CD1 PHE A 31 3.288 4.557 -0.166 1.00 0.00 C ATOM 518 CD2 PHE A 31 5.428 5.630 -0.558 1.00 0.00 C ATOM 519 CE1 PHE A 31 2.739 5.263 -1.242 1.00 0.00 C ATOM 520 CE2 PHE A 31 4.879 6.336 -1.633 1.00 0.00 C ATOM 521 CZ PHE A 31 3.534 6.153 -1.976 1.00 0.00 C ATOM 0 H PHE A 31 5.920 6.190 2.198 1.00 0.00 H new ATOM 0 HA PHE A 31 3.602 4.588 2.608 1.00 0.00 H new ATOM 0 HB2 PHE A 31 6.316 4.048 1.319 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.977 2.919 1.262 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.674 3.872 0.401 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.465 5.772 -0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.702 5.122 -1.507 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.492 7.022 -2.198 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.109 6.698 -2.806 1.00 0.00 H new ATOM 531 N ASP A 32 6.209 4.004 4.460 1.00 0.00 N ATOM 532 CA ASP A 32 6.703 3.221 5.589 1.00 0.00 C ATOM 533 C ASP A 32 5.785 3.376 6.799 1.00 0.00 C ATOM 534 O ASP A 32 5.395 2.390 7.425 1.00 0.00 O ATOM 535 CB ASP A 32 8.118 3.671 5.955 1.00 0.00 C ATOM 536 CG ASP A 32 8.644 2.839 7.118 1.00 0.00 C ATOM 537 OD1 ASP A 32 7.886 2.043 7.643 1.00 0.00 O ATOM 538 OD2 ASP A 32 9.801 3.013 7.469 1.00 0.00 O ATOM 0 H ASP A 32 6.776 4.819 4.226 1.00 0.00 H new ATOM 0 HA ASP A 32 6.719 2.171 5.298 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.777 3.564 5.093 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.114 4.727 6.225 1.00 0.00 H new ATOM 543 N SER A 33 5.448 4.619 7.123 1.00 0.00 N ATOM 544 CA SER A 33 4.576 4.893 8.256 1.00 0.00 C ATOM 545 C SER A 33 3.169 4.371 7.989 1.00 0.00 C ATOM 546 O SER A 33 2.527 3.801 8.873 1.00 0.00 O ATOM 547 CB SER A 33 4.524 6.397 8.528 1.00 0.00 C ATOM 548 OG SER A 33 5.832 6.862 8.835 1.00 0.00 O ATOM 0 H SER A 33 5.764 5.448 6.620 1.00 0.00 H new ATOM 0 HA SER A 33 4.980 4.383 9.130 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.133 6.923 7.657 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.847 6.606 9.356 1.00 0.00 H new ATOM 0 HG SER A 33 6.363 6.911 8.013 1.00 0.00 H new ATOM 554 N VAL A 34 2.689 4.576 6.766 1.00 0.00 N ATOM 555 CA VAL A 34 1.350 4.126 6.400 1.00 0.00 C ATOM 556 C VAL A 34 1.250 2.610 6.504 1.00 0.00 C ATOM 557 O VAL A 34 0.302 2.080 7.081 1.00 0.00 O ATOM 558 CB VAL A 34 1.024 4.570 4.972 1.00 0.00 C ATOM 559 CG1 VAL A 34 -0.302 3.947 4.528 1.00 0.00 C ATOM 560 CG2 VAL A 34 0.913 6.100 4.925 1.00 0.00 C ATOM 0 H VAL A 34 3.201 5.046 6.019 1.00 0.00 H new ATOM 0 HA VAL A 34 0.633 4.572 7.089 1.00 0.00 H new ATOM 0 HB VAL A 34 1.818 4.242 4.302 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.531 4.265 3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.222 2.860 4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.099 4.271 5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.681 6.417 3.908 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.120 6.428 5.597 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.859 6.543 5.236 1.00 0.00 H new ATOM 570 N LEU A 35 2.235 1.917 5.947 1.00 0.00 N ATOM 571 CA LEU A 35 2.245 0.461 5.991 1.00 0.00 C ATOM 572 C LEU A 35 2.348 -0.036 7.424 1.00 0.00 C ATOM 573 O LEU A 35 1.670 -0.987 7.806 1.00 0.00 O ATOM 574 CB LEU A 35 3.425 -0.076 5.175 1.00 0.00 C ATOM 575 CG LEU A 35 3.147 0.111 3.676 1.00 0.00 C ATOM 576 CD1 LEU A 35 4.443 -0.096 2.887 1.00 0.00 C ATOM 577 CD2 LEU A 35 2.087 -0.906 3.197 1.00 0.00 C ATOM 0 H LEU A 35 3.030 2.335 5.464 1.00 0.00 H new ATOM 0 HA LEU A 35 1.310 0.099 5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.340 0.448 5.453 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.582 -1.132 5.396 1.00 0.00 H new ATOM 0 HG LEU A 35 2.771 1.120 3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.246 0.037 1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.187 0.631 3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.819 -1.104 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.900 -0.762 2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.451 -1.919 3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.161 -0.755 3.752 1.00 0.00 H new ATOM 589 N SER A 36 3.202 0.610 8.205 1.00 0.00 N ATOM 590 CA SER A 36 3.392 0.222 9.596 1.00 0.00 C ATOM 591 C SER A 36 2.097 0.398 10.385 1.00 0.00 C ATOM 592 O SER A 36 1.794 -0.382 11.288 1.00 0.00 O ATOM 593 CB SER A 36 4.494 1.069 10.228 1.00 0.00 C ATOM 594 OG SER A 36 4.133 2.442 10.153 1.00 0.00 O ATOM 0 H SER A 36 3.771 1.400 7.902 1.00 0.00 H new ATOM 0 HA SER A 36 3.680 -0.829 9.623 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.642 0.776 11.267 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.439 0.901 9.712 1.00 0.00 H new ATOM 0 HG SER A 36 3.411 2.555 9.500 1.00 0.00 H new ATOM 600 N LYS A 37 1.340 1.432 10.041 1.00 0.00 N ATOM 601 CA LYS A 37 0.077 1.704 10.717 1.00 0.00 C ATOM 602 C LYS A 37 -1.024 0.784 10.204 1.00 0.00 C ATOM 603 O LYS A 37 -1.917 0.391 10.952 1.00 0.00 O ATOM 604 CB LYS A 37 -0.329 3.162 10.511 1.00 0.00 C ATOM 605 CG LYS A 37 0.595 4.070 11.328 1.00 0.00 C ATOM 606 CD LYS A 37 0.205 5.532 11.099 1.00 0.00 C ATOM 607 CE LYS A 37 1.074 6.436 11.978 1.00 0.00 C ATOM 608 NZ LYS A 37 2.495 6.340 11.534 1.00 0.00 N ATOM 0 H LYS A 37 1.577 2.094 9.302 1.00 0.00 H new ATOM 0 HA LYS A 37 0.216 1.517 11.782 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.269 3.421 9.454 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.365 3.309 10.817 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.521 3.824 12.387 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.633 3.909 11.035 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.335 5.794 10.049 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.849 5.680 11.336 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.729 7.468 11.911 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.987 6.138 13.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.064 5.897 12.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.551 5.763 10.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.863 7.293 11.338 1.00 0.00 H new ATOM 622 N ALA A 38 -0.964 0.459 8.916 1.00 0.00 N ATOM 623 CA ALA A 38 -1.969 -0.402 8.301 1.00 0.00 C ATOM 624 C ALA A 38 -1.547 -1.862 8.376 1.00 0.00 C ATOM 625 O ALA A 38 -1.818 -2.547 9.363 1.00 0.00 O ATOM 626 CB ALA A 38 -2.168 -0.004 6.837 1.00 0.00 C ATOM 0 H ALA A 38 -0.233 0.777 8.280 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.905 -0.279 8.845 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.919 -0.650 6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.501 1.033 6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.226 -0.110 6.300 1.00 0.00 H new ATOM 632 N CYS A 39 -0.884 -2.334 7.326 1.00 0.00 N ATOM 633 CA CYS A 39 -0.434 -3.722 7.283 1.00 0.00 C ATOM 634 C CYS A 39 0.620 -3.980 8.352 1.00 0.00 C ATOM 635 O CYS A 39 0.295 -4.234 9.512 1.00 0.00 O ATOM 636 CB CYS A 39 0.142 -4.042 5.902 1.00 0.00 C ATOM 637 SG CYS A 39 0.967 -5.654 5.947 1.00 0.00 S ATOM 0 H CYS A 39 -0.648 -1.783 6.501 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.291 -4.367 7.476 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.654 -4.050 5.158 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.849 -3.268 5.604 1.00 0.00 H new ATOM 0 HG CYS A 39 1.699 -5.797 4.882 1.00 0.00 H new ATOM 643 N SER A 40 1.885 -3.914 7.951 1.00 0.00 N ATOM 644 CA SER A 40 2.988 -4.144 8.878 1.00 0.00 C ATOM 645 C SER A 40 3.171 -5.636 9.135 1.00 0.00 C ATOM 646 O SER A 40 4.088 -6.043 9.844 1.00 0.00 O ATOM 647 CB SER A 40 2.715 -3.419 10.208 1.00 0.00 C ATOM 648 OG SER A 40 1.890 -2.294 9.953 1.00 0.00 O ATOM 0 H SER A 40 2.172 -3.704 6.995 1.00 0.00 H new ATOM 0 HA SER A 40 3.902 -3.751 8.432 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.227 -4.093 10.912 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.653 -3.104 10.666 1.00 0.00 H new ATOM 0 HG SER A 40 1.749 -1.796 10.785 1.00 0.00 H new ATOM 654 N GLU A 41 2.286 -6.447 8.564 1.00 0.00 N ATOM 655 CA GLU A 41 2.358 -7.894 8.749 1.00 0.00 C ATOM 656 C GLU A 41 2.026 -8.607 7.447 1.00 0.00 C ATOM 657 O GLU A 41 0.904 -8.508 6.951 1.00 0.00 O ATOM 658 CB GLU A 41 1.366 -8.328 9.831 1.00 0.00 C ATOM 659 CG GLU A 41 1.705 -7.622 11.147 1.00 0.00 C ATOM 660 CD GLU A 41 0.737 -8.060 12.239 1.00 0.00 C ATOM 661 OE1 GLU A 41 -0.144 -8.846 11.940 1.00 0.00 O ATOM 662 OE2 GLU A 41 0.894 -7.600 13.359 1.00 0.00 O ATOM 0 H GLU A 41 1.516 -6.131 7.974 1.00 0.00 H new ATOM 0 HA GLU A 41 3.371 -8.158 9.054 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.349 -8.083 9.526 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.407 -9.409 9.965 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.728 -7.856 11.441 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.651 -6.542 11.014 1.00 0.00 H new ATOM 669 N PHE A 42 3.008 -9.325 6.897 1.00 0.00 N ATOM 670 CA PHE A 42 2.808 -10.059 5.646 1.00 0.00 C ATOM 671 C PHE A 42 2.994 -11.549 5.877 1.00 0.00 C ATOM 672 O PHE A 42 3.992 -11.974 6.450 1.00 0.00 O ATOM 673 CB PHE A 42 3.805 -9.572 4.598 1.00 0.00 C ATOM 674 CG PHE A 42 3.502 -8.135 4.244 1.00 0.00 C ATOM 675 CD1 PHE A 42 2.402 -7.834 3.433 1.00 0.00 C ATOM 676 CD2 PHE A 42 4.319 -7.104 4.727 1.00 0.00 C ATOM 677 CE1 PHE A 42 2.119 -6.502 3.104 1.00 0.00 C ATOM 678 CE2 PHE A 42 4.037 -5.774 4.395 1.00 0.00 C ATOM 679 CZ PHE A 42 2.938 -5.471 3.584 1.00 0.00 C ATOM 0 H PHE A 42 3.943 -9.413 7.295 1.00 0.00 H new ATOM 0 HA PHE A 42 1.793 -9.881 5.290 1.00 0.00 H new ATOM 0 HB2 PHE A 42 4.822 -9.657 4.981 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.747 -10.197 3.707 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.772 -8.628 3.061 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.166 -7.336 5.355 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.269 -6.269 2.480 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.669 -4.980 4.765 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.721 -4.444 3.328 1.00 0.00 H new ATOM 689 N GLU A 43 2.022 -12.337 5.432 1.00 0.00 N ATOM 690 CA GLU A 43 2.083 -13.787 5.593 1.00 0.00 C ATOM 691 C GLU A 43 2.734 -14.428 4.380 1.00 0.00 C ATOM 692 O GLU A 43 2.521 -13.994 3.248 1.00 0.00 O ATOM 693 CB GLU A 43 0.674 -14.351 5.772 1.00 0.00 C ATOM 694 CG GLU A 43 -0.181 -13.991 4.559 1.00 0.00 C ATOM 695 CD GLU A 43 -1.618 -14.447 4.781 1.00 0.00 C ATOM 696 OE1 GLU A 43 -1.805 -15.434 5.473 1.00 0.00 O ATOM 697 OE2 GLU A 43 -2.511 -13.808 4.250 1.00 0.00 O ATOM 0 H GLU A 43 1.184 -11.999 4.958 1.00 0.00 H new ATOM 0 HA GLU A 43 2.680 -14.012 6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.717 -15.434 5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.223 -13.949 6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.154 -12.914 4.391 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.225 -14.463 3.664 1.00 0.00 H new ATOM 704 N VAL A 44 3.531 -15.464 4.622 1.00 0.00 N ATOM 705 CA VAL A 44 4.218 -16.177 3.542 1.00 0.00 C ATOM 706 C VAL A 44 3.935 -17.680 3.626 1.00 0.00 C ATOM 707 O VAL A 44 4.233 -18.336 4.628 1.00 0.00 O ATOM 708 CB VAL A 44 5.731 -15.928 3.629 1.00 0.00 C ATOM 709 CG1 VAL A 44 6.208 -16.106 5.073 1.00 0.00 C ATOM 710 CG2 VAL A 44 6.473 -16.918 2.717 1.00 0.00 C ATOM 0 H VAL A 44 3.719 -15.831 5.555 1.00 0.00 H new ATOM 0 HA VAL A 44 3.845 -15.803 2.588 1.00 0.00 H new ATOM 0 HB VAL A 44 5.942 -14.909 3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.282 -15.928 5.126 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.690 -15.396 5.717 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.992 -17.122 5.405 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.546 -16.738 2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.256 -17.938 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.143 -16.781 1.687 1.00 0.00 H new ATOM 720 N ASP A 45 3.362 -18.212 2.556 1.00 0.00 N ATOM 721 CA ASP A 45 3.042 -19.632 2.498 1.00 0.00 C ATOM 722 C ASP A 45 2.962 -20.110 1.053 1.00 0.00 C ATOM 723 O ASP A 45 3.001 -19.312 0.119 1.00 0.00 O ATOM 724 CB ASP A 45 1.723 -19.902 3.211 1.00 0.00 C ATOM 725 CG ASP A 45 0.602 -19.103 2.564 1.00 0.00 C ATOM 726 OD1 ASP A 45 0.653 -18.923 1.364 1.00 0.00 O ATOM 727 OD2 ASP A 45 -0.287 -18.678 3.282 1.00 0.00 O ATOM 0 H ASP A 45 3.110 -17.685 1.720 1.00 0.00 H new ATOM 0 HA ASP A 45 3.838 -20.183 2.999 1.00 0.00 H new ATOM 0 HB2 ASP A 45 1.491 -20.966 3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.809 -19.634 4.264 1.00 0.00 H new ATOM 732 N LYS A 46 2.854 -21.421 0.878 1.00 0.00 N ATOM 733 CA LYS A 46 2.769 -21.994 -0.459 1.00 0.00 C ATOM 734 C LYS A 46 1.393 -21.742 -1.063 1.00 0.00 C ATOM 735 O LYS A 46 1.042 -22.323 -2.088 1.00 0.00 O ATOM 736 CB LYS A 46 3.020 -23.497 -0.397 1.00 0.00 C ATOM 737 CG LYS A 46 4.467 -23.754 0.025 1.00 0.00 C ATOM 738 CD LYS A 46 4.698 -25.261 0.196 1.00 0.00 C ATOM 739 CE LYS A 46 4.834 -25.932 -1.177 1.00 0.00 C ATOM 740 NZ LYS A 46 5.366 -27.308 -1.005 1.00 0.00 N ATOM 0 H LYS A 46 2.823 -22.102 1.637 1.00 0.00 H new ATOM 0 HA LYS A 46 3.525 -21.519 -1.084 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.335 -23.962 0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.828 -23.949 -1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.150 -23.355 -0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.681 -23.236 0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.599 -25.434 0.785 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.867 -25.704 0.745 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.865 -25.965 -1.675 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.500 -25.350 -1.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.458 -27.763 -1.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.298 -27.265 -0.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.714 -27.861 -0.412 1.00 0.00 H new ATOM 754 N ASP A 47 0.619 -20.869 -0.421 1.00 0.00 N ATOM 755 CA ASP A 47 -0.725 -20.537 -0.902 1.00 0.00 C ATOM 756 C ASP A 47 -0.751 -19.137 -1.501 1.00 0.00 C ATOM 757 O ASP A 47 -1.791 -18.667 -1.956 1.00 0.00 O ATOM 758 CB ASP A 47 -1.725 -20.622 0.250 1.00 0.00 C ATOM 759 CG ASP A 47 -1.904 -22.074 0.671 1.00 0.00 C ATOM 760 OD1 ASP A 47 -1.390 -22.940 -0.019 1.00 0.00 O ATOM 761 OD2 ASP A 47 -2.552 -22.302 1.680 1.00 0.00 O ATOM 0 H ASP A 47 0.896 -20.380 0.430 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.001 -21.253 -1.676 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.372 -20.030 1.094 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.683 -20.202 -0.056 1.00 0.00 H new ATOM 766 N VAL A 48 0.401 -18.469 -1.496 1.00 0.00 N ATOM 767 CA VAL A 48 0.498 -17.115 -2.041 1.00 0.00 C ATOM 768 C VAL A 48 1.813 -16.933 -2.784 1.00 0.00 C ATOM 769 O VAL A 48 2.760 -17.688 -2.576 1.00 0.00 O ATOM 770 CB VAL A 48 0.406 -16.088 -0.910 1.00 0.00 C ATOM 771 CG1 VAL A 48 1.592 -16.266 0.047 1.00 0.00 C ATOM 772 CG2 VAL A 48 0.429 -14.675 -1.501 1.00 0.00 C ATOM 0 H VAL A 48 1.275 -18.840 -1.123 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.327 -16.964 -2.737 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.524 -16.236 -0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.524 -15.533 0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.571 -17.271 0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.525 -16.120 -0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.363 -13.943 -0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.358 -14.526 -2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.418 -14.549 -2.176 1.00 0.00 H new ATOM 782 N THR A 49 1.863 -15.926 -3.650 1.00 0.00 N ATOM 783 CA THR A 49 3.073 -15.640 -4.427 1.00 0.00 C ATOM 784 C THR A 49 3.445 -14.163 -4.320 1.00 0.00 C ATOM 785 O THR A 49 4.443 -13.801 -3.703 1.00 0.00 O ATOM 786 CB THR A 49 2.842 -16.015 -5.893 1.00 0.00 C ATOM 787 OG1 THR A 49 2.122 -14.983 -6.552 1.00 0.00 O ATOM 788 CG2 THR A 49 2.041 -17.317 -5.973 1.00 0.00 C ATOM 0 H THR A 49 1.084 -15.294 -3.834 1.00 0.00 H new ATOM 0 HA THR A 49 3.895 -16.232 -4.025 1.00 0.00 H new ATOM 0 HB THR A 49 3.809 -16.148 -6.378 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.165 -15.083 -6.368 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.879 -17.581 -7.018 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.594 -18.116 -5.479 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.079 -17.183 -5.479 1.00 0.00 H new ATOM 796 N LEU A 50 2.641 -13.313 -4.935 1.00 0.00 N ATOM 797 CA LEU A 50 2.897 -11.880 -4.901 1.00 0.00 C ATOM 798 C LEU A 50 1.646 -11.102 -5.307 1.00 0.00 C ATOM 799 O LEU A 50 1.400 -10.003 -4.812 1.00 0.00 O ATOM 800 CB LEU A 50 4.039 -11.525 -5.854 1.00 0.00 C ATOM 801 CG LEU A 50 3.819 -12.225 -7.228 1.00 0.00 C ATOM 802 CD1 LEU A 50 4.017 -11.219 -8.366 1.00 0.00 C ATOM 803 CD2 LEU A 50 4.818 -13.375 -7.394 1.00 0.00 C ATOM 0 H LEU A 50 1.811 -13.586 -5.461 1.00 0.00 H new ATOM 0 HA LEU A 50 3.174 -11.609 -3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.088 -10.445 -5.990 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.992 -11.836 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 50 2.802 -12.617 -7.262 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.861 -11.717 -9.323 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.301 -10.404 -8.260 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.030 -10.819 -8.326 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.658 -13.860 -8.357 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.834 -12.983 -7.349 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.673 -14.101 -6.594 1.00 0.00 H new ATOM 815 N ASP A 51 0.859 -11.679 -6.212 1.00 0.00 N ATOM 816 CA ASP A 51 -0.355 -11.021 -6.680 1.00 0.00 C ATOM 817 C ASP A 51 -1.195 -10.553 -5.495 1.00 0.00 C ATOM 818 O ASP A 51 -1.710 -9.433 -5.491 1.00 0.00 O ATOM 819 CB ASP A 51 -1.175 -11.995 -7.532 1.00 0.00 C ATOM 820 CG ASP A 51 -2.441 -11.309 -8.038 1.00 0.00 C ATOM 821 OD1 ASP A 51 -2.698 -10.194 -7.613 1.00 0.00 O ATOM 822 OD2 ASP A 51 -3.134 -11.907 -8.843 1.00 0.00 O ATOM 0 H ASP A 51 1.038 -12.591 -6.631 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.074 -10.156 -7.280 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.579 -12.344 -8.375 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.438 -12.873 -6.943 1.00 0.00 H new ATOM 827 N GLU A 52 -1.327 -11.413 -4.494 1.00 0.00 N ATOM 828 CA GLU A 52 -2.107 -11.073 -3.311 1.00 0.00 C ATOM 829 C GLU A 52 -1.416 -9.978 -2.509 1.00 0.00 C ATOM 830 O GLU A 52 -2.068 -9.068 -2.003 1.00 0.00 O ATOM 831 CB GLU A 52 -2.297 -12.311 -2.434 1.00 0.00 C ATOM 832 CG GLU A 52 -3.228 -11.976 -1.268 1.00 0.00 C ATOM 833 CD GLU A 52 -3.469 -13.222 -0.420 1.00 0.00 C ATOM 834 OE1 GLU A 52 -3.188 -14.306 -0.903 1.00 0.00 O ATOM 835 OE2 GLU A 52 -3.930 -13.072 0.699 1.00 0.00 O ATOM 0 H GLU A 52 -0.908 -12.343 -4.476 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.081 -10.708 -3.636 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.716 -13.126 -3.024 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.333 -12.653 -2.056 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.789 -11.188 -0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.176 -11.594 -1.647 1.00 0.00 H new ATOM 842 N LEU A 53 -0.096 -10.077 -2.392 1.00 0.00 N ATOM 843 CA LEU A 53 0.668 -9.084 -1.641 1.00 0.00 C ATOM 844 C LEU A 53 0.528 -7.711 -2.275 1.00 0.00 C ATOM 845 O LEU A 53 0.295 -6.722 -1.593 1.00 0.00 O ATOM 846 CB LEU A 53 2.148 -9.488 -1.611 1.00 0.00 C ATOM 847 CG LEU A 53 2.363 -10.587 -0.557 1.00 0.00 C ATOM 848 CD1 LEU A 53 3.753 -11.206 -0.750 1.00 0.00 C ATOM 849 CD2 LEU A 53 2.247 -9.988 0.864 1.00 0.00 C ATOM 0 H LEU A 53 0.463 -10.825 -2.802 1.00 0.00 H new ATOM 0 HA LEU A 53 0.278 -9.040 -0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.457 -9.847 -2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.767 -8.621 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 53 1.601 -11.357 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.911 -11.986 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.823 -11.638 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.514 -10.434 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.401 -10.774 1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.003 -9.213 0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.256 -9.554 0.996 1.00 0.00 H new ATOM 861 N LEU A 54 0.671 -7.651 -3.580 1.00 0.00 N ATOM 862 CA LEU A 54 0.557 -6.383 -4.281 1.00 0.00 C ATOM 863 C LEU A 54 -0.870 -5.855 -4.198 1.00 0.00 C ATOM 864 O LEU A 54 -1.093 -4.644 -4.131 1.00 0.00 O ATOM 865 CB LEU A 54 0.976 -6.552 -5.754 1.00 0.00 C ATOM 866 CG LEU A 54 2.487 -6.349 -5.899 1.00 0.00 C ATOM 867 CD1 LEU A 54 3.233 -7.405 -5.085 1.00 0.00 C ATOM 868 CD2 LEU A 54 2.873 -6.471 -7.371 1.00 0.00 C ATOM 0 H LEU A 54 0.865 -8.455 -4.177 1.00 0.00 H new ATOM 0 HA LEU A 54 1.222 -5.662 -3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.699 -7.545 -6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.443 -5.833 -6.376 1.00 0.00 H new ATOM 0 HG LEU A 54 2.756 -5.359 -5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.307 -7.255 -5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.957 -7.316 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.967 -8.398 -5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.948 -6.327 -7.478 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.601 -7.461 -7.738 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.346 -5.712 -7.949 1.00 0.00 H new ATOM 880 N ASP A 55 -1.832 -6.766 -4.249 1.00 0.00 N ATOM 881 CA ASP A 55 -3.233 -6.374 -4.210 1.00 0.00 C ATOM 882 C ASP A 55 -3.576 -5.684 -2.893 1.00 0.00 C ATOM 883 O ASP A 55 -4.129 -4.583 -2.887 1.00 0.00 O ATOM 884 CB ASP A 55 -4.118 -7.610 -4.371 1.00 0.00 C ATOM 885 CG ASP A 55 -4.021 -8.144 -5.795 1.00 0.00 C ATOM 886 OD1 ASP A 55 -3.544 -7.410 -6.649 1.00 0.00 O ATOM 887 OD2 ASP A 55 -4.422 -9.273 -6.012 1.00 0.00 O ATOM 0 H ASP A 55 -1.671 -7.771 -4.317 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.411 -5.675 -5.027 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.811 -8.381 -3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.153 -7.358 -4.139 1.00 0.00 H new ATOM 892 N VAL A 56 -3.242 -6.333 -1.782 1.00 0.00 N ATOM 893 CA VAL A 56 -3.527 -5.776 -0.470 1.00 0.00 C ATOM 894 C VAL A 56 -2.649 -4.565 -0.203 1.00 0.00 C ATOM 895 O VAL A 56 -3.092 -3.599 0.393 1.00 0.00 O ATOM 896 CB VAL A 56 -3.297 -6.829 0.613 1.00 0.00 C ATOM 897 CG1 VAL A 56 -1.830 -7.243 0.612 1.00 0.00 C ATOM 898 CG2 VAL A 56 -3.660 -6.247 1.981 1.00 0.00 C ATOM 0 H VAL A 56 -2.776 -7.240 -1.766 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.571 -5.465 -0.450 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.923 -7.698 0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.663 -7.994 1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.570 -7.659 -0.361 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.206 -6.372 0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.495 -7.000 2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.035 -5.377 2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.708 -5.949 1.983 1.00 0.00 H new ATOM 908 N VAL A 57 -1.396 -4.632 -0.632 1.00 0.00 N ATOM 909 CA VAL A 57 -0.475 -3.526 -0.403 1.00 0.00 C ATOM 910 C VAL A 57 -1.009 -2.252 -1.047 1.00 0.00 C ATOM 911 O VAL A 57 -1.086 -1.204 -0.400 1.00 0.00 O ATOM 912 CB VAL A 57 0.893 -3.876 -1.004 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.784 -2.626 -1.054 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.575 -4.961 -0.145 1.00 0.00 C ATOM 0 H VAL A 57 -0.998 -5.427 -1.133 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.375 -3.359 0.669 1.00 0.00 H new ATOM 0 HB VAL A 57 0.748 -4.251 -2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.752 -2.886 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.307 -1.864 -1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.926 -2.240 -0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.546 -5.208 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.711 -4.589 0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.950 -5.854 -0.124 1.00 0.00 H new ATOM 924 N LEU A 58 -1.378 -2.349 -2.320 1.00 0.00 N ATOM 925 CA LEU A 58 -1.897 -1.196 -3.031 1.00 0.00 C ATOM 926 C LEU A 58 -3.277 -0.815 -2.501 1.00 0.00 C ATOM 927 O LEU A 58 -3.538 0.339 -2.183 1.00 0.00 O ATOM 928 CB LEU A 58 -1.988 -1.497 -4.529 1.00 0.00 C ATOM 929 CG LEU A 58 -2.487 -0.253 -5.282 1.00 0.00 C ATOM 930 CD1 LEU A 58 -1.493 0.911 -5.100 1.00 0.00 C ATOM 931 CD2 LEU A 58 -2.627 -0.586 -6.769 1.00 0.00 C ATOM 0 H LEU A 58 -1.327 -3.205 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.215 -0.361 -2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.011 -1.796 -4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.666 -2.333 -4.701 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.455 0.047 -4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.856 1.787 -5.637 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.400 1.148 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.518 0.622 -5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.981 0.293 -7.307 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.659 -0.890 -7.167 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.342 -1.400 -6.894 1.00 0.00 H new ATOM 943 N ASP A 59 -4.157 -1.798 -2.422 1.00 0.00 N ATOM 944 CA ASP A 59 -5.511 -1.554 -1.942 1.00 0.00 C ATOM 945 C ASP A 59 -5.471 -0.993 -0.524 1.00 0.00 C ATOM 946 O ASP A 59 -6.342 -0.218 -0.131 1.00 0.00 O ATOM 947 CB ASP A 59 -6.312 -2.859 -1.955 1.00 0.00 C ATOM 948 CG ASP A 59 -6.628 -3.266 -3.391 1.00 0.00 C ATOM 949 OD1 ASP A 59 -6.448 -2.442 -4.273 1.00 0.00 O ATOM 950 OD2 ASP A 59 -7.047 -4.393 -3.589 1.00 0.00 O ATOM 0 H ASP A 59 -3.963 -2.765 -2.681 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.991 -0.829 -2.600 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.744 -3.648 -1.462 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.237 -2.733 -1.393 1.00 0.00 H new ATOM 955 N ALA A 60 -4.474 -1.407 0.242 1.00 0.00 N ATOM 956 CA ALA A 60 -4.346 -0.954 1.621 1.00 0.00 C ATOM 957 C ALA A 60 -3.964 0.521 1.685 1.00 0.00 C ATOM 958 O ALA A 60 -4.667 1.328 2.302 1.00 0.00 O ATOM 959 CB ALA A 60 -3.270 -1.776 2.340 1.00 0.00 C ATOM 0 H ALA A 60 -3.745 -2.052 -0.064 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.312 -1.088 2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.178 -1.433 3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.551 -2.829 2.332 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.315 -1.651 1.830 1.00 0.00 H new ATOM 965 N VAL A 61 -2.853 0.871 1.042 1.00 0.00 N ATOM 966 CA VAL A 61 -2.397 2.259 1.042 1.00 0.00 C ATOM 967 C VAL A 61 -3.358 3.146 0.263 1.00 0.00 C ATOM 968 O VAL A 61 -3.700 4.241 0.702 1.00 0.00 O ATOM 969 CB VAL A 61 -1.000 2.349 0.425 1.00 0.00 C ATOM 970 CG1 VAL A 61 -0.030 1.482 1.228 1.00 0.00 C ATOM 971 CG2 VAL A 61 -1.053 1.845 -1.017 1.00 0.00 C ATOM 0 H VAL A 61 -2.260 0.225 0.522 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.363 2.607 2.074 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.660 3.385 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.965 1.546 0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.005 1.835 2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.368 0.446 1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.059 1.907 -1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.391 0.809 -1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.746 2.459 -1.592 1.00 0.00 H new ATOM 981 N GLU A 62 -3.788 2.668 -0.896 1.00 0.00 N ATOM 982 CA GLU A 62 -4.701 3.431 -1.730 1.00 0.00 C ATOM 983 C GLU A 62 -5.990 3.727 -0.977 1.00 0.00 C ATOM 984 O GLU A 62 -6.484 4.856 -0.998 1.00 0.00 O ATOM 985 CB GLU A 62 -5.019 2.645 -3.010 1.00 0.00 C ATOM 986 CG GLU A 62 -6.092 3.385 -3.828 1.00 0.00 C ATOM 987 CD GLU A 62 -7.483 3.077 -3.279 1.00 0.00 C ATOM 988 OE1 GLU A 62 -7.726 1.929 -2.944 1.00 0.00 O ATOM 989 OE2 GLU A 62 -8.283 3.995 -3.192 1.00 0.00 O ATOM 0 H GLU A 62 -3.520 1.761 -1.277 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.224 4.375 -1.993 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.115 2.523 -3.606 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.370 1.645 -2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.909 4.459 -3.793 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.032 3.086 -4.874 1.00 0.00 H new ATOM 996 N SER A 63 -6.540 2.707 -0.327 1.00 0.00 N ATOM 997 CA SER A 63 -7.782 2.877 0.417 1.00 0.00 C ATOM 998 C SER A 63 -7.604 3.890 1.541 1.00 0.00 C ATOM 999 O SER A 63 -8.384 4.836 1.665 1.00 0.00 O ATOM 1000 CB SER A 63 -8.218 1.539 1.006 1.00 0.00 C ATOM 1001 OG SER A 63 -7.192 1.047 1.861 1.00 0.00 O ATOM 0 H SER A 63 -6.151 1.765 -0.300 1.00 0.00 H new ATOM 0 HA SER A 63 -8.545 3.245 -0.269 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.146 1.659 1.564 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.416 0.824 0.208 1.00 0.00 H new ATOM 0 HG SER A 63 -6.449 0.708 1.319 1.00 0.00 H new ATOM 1007 N THR A 64 -6.577 3.688 2.357 1.00 0.00 N ATOM 1008 CA THR A 64 -6.317 4.592 3.471 1.00 0.00 C ATOM 1009 C THR A 64 -6.061 6.005 2.962 1.00 0.00 C ATOM 1010 O THR A 64 -6.612 6.970 3.490 1.00 0.00 O ATOM 1011 CB THR A 64 -5.100 4.106 4.260 1.00 0.00 C ATOM 1012 OG1 THR A 64 -5.249 2.725 4.553 1.00 0.00 O ATOM 1013 CG2 THR A 64 -4.983 4.895 5.566 1.00 0.00 C ATOM 0 H THR A 64 -5.917 2.915 2.271 1.00 0.00 H new ATOM 0 HA THR A 64 -7.192 4.603 4.120 1.00 0.00 H new ATOM 0 HB THR A 64 -4.199 4.258 3.665 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.939 2.193 3.790 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.115 4.546 6.125 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.868 5.955 5.341 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.883 4.746 6.163 1.00 0.00 H new ATOM 1021 N LEU A 65 -5.221 6.122 1.939 1.00 0.00 N ATOM 1022 CA LEU A 65 -4.895 7.428 1.368 1.00 0.00 C ATOM 1023 C LEU A 65 -5.800 7.729 0.180 1.00 0.00 C ATOM 1024 O LEU A 65 -5.324 7.971 -0.929 1.00 0.00 O ATOM 1025 CB LEU A 65 -3.428 7.450 0.922 1.00 0.00 C ATOM 1026 CG LEU A 65 -2.519 7.654 2.138 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -2.649 6.459 3.084 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -1.069 7.778 1.669 1.00 0.00 C ATOM 0 H LEU A 65 -4.755 5.334 1.489 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.052 8.191 2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.177 6.515 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.270 8.251 0.200 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.813 8.562 2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.001 6.607 3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.683 6.369 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.355 5.548 2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.419 7.923 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.777 6.868 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.976 8.631 0.997 1.00 0.00 H new ATOM 1040 N SER A 66 -7.104 7.724 0.421 1.00 0.00 N ATOM 1041 CA SER A 66 -8.070 8.013 -0.636 1.00 0.00 C ATOM 1042 C SER A 66 -8.126 9.519 -0.904 1.00 0.00 C ATOM 1043 O SER A 66 -8.154 9.953 -2.058 1.00 0.00 O ATOM 1044 CB SER A 66 -9.463 7.492 -0.230 1.00 0.00 C ATOM 1045 OG SER A 66 -9.951 6.640 -1.252 1.00 0.00 O ATOM 0 H SER A 66 -7.518 7.525 1.332 1.00 0.00 H new ATOM 0 HA SER A 66 -7.756 7.509 -1.550 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.402 6.951 0.714 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.147 8.326 -0.076 1.00 0.00 H new ATOM 0 HG SER A 66 -10.836 6.302 -1.001 1.00 0.00 H new ATOM 1051 N PRO A 67 -8.153 10.308 0.142 1.00 0.00 N ATOM 1052 CA PRO A 67 -8.216 11.792 0.024 1.00 0.00 C ATOM 1053 C PRO A 67 -6.968 12.362 -0.640 1.00 0.00 C ATOM 1054 O PRO A 67 -5.900 12.398 -0.036 1.00 0.00 O ATOM 1055 CB PRO A 67 -8.338 12.275 1.488 1.00 0.00 C ATOM 1056 CG PRO A 67 -8.725 11.065 2.279 1.00 0.00 C ATOM 1057 CD PRO A 67 -8.124 9.879 1.546 1.00 0.00 C ATOM 0 HA PRO A 67 -9.046 12.120 -0.602 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.395 12.691 1.844 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.088 13.060 1.581 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.345 11.127 3.299 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.809 10.973 2.348 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.109 9.669 1.883 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.706 8.971 1.702 1.00 0.00 H new ATOM 1065 N CYS A 68 -7.115 12.813 -1.882 1.00 0.00 N ATOM 1066 CA CYS A 68 -5.992 13.391 -2.618 1.00 0.00 C ATOM 1067 C CYS A 68 -6.400 14.687 -3.301 1.00 0.00 C ATOM 1068 O CYS A 68 -6.124 15.776 -2.797 1.00 0.00 O ATOM 1069 CB CYS A 68 -5.491 12.393 -3.660 1.00 0.00 C ATOM 1070 SG CYS A 68 -4.273 13.202 -4.722 1.00 0.00 S ATOM 0 H CYS A 68 -7.994 12.791 -2.399 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.193 13.613 -1.910 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.045 11.529 -3.168 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.324 12.024 -4.258 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.265 13.598 -4.003 1.00 0.00 H new ATOM 1076 N LYS A 69 -7.052 14.563 -4.450 1.00 0.00 N ATOM 1077 CA LYS A 69 -7.488 15.732 -5.201 1.00 0.00 C ATOM 1078 C LYS A 69 -8.207 16.719 -4.283 1.00 0.00 C ATOM 1079 O LYS A 69 -8.475 17.860 -4.663 1.00 0.00 O ATOM 1080 CB LYS A 69 -8.422 15.306 -6.335 1.00 0.00 C ATOM 1081 CG LYS A 69 -8.643 16.482 -7.291 1.00 0.00 C ATOM 1082 CD LYS A 69 -9.441 16.012 -8.505 1.00 0.00 C ATOM 1083 CE LYS A 69 -9.643 17.184 -9.466 1.00 0.00 C ATOM 1084 NZ LYS A 69 -10.385 16.715 -10.671 1.00 0.00 N ATOM 0 H LYS A 69 -7.289 13.669 -4.880 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.610 16.221 -5.623 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.993 14.462 -6.875 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.376 14.972 -5.927 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.177 17.284 -6.780 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.684 16.890 -7.609 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.914 15.201 -9.008 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.406 15.617 -8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.197 17.982 -8.972 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.678 17.599 -9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.523 17.511 -11.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.839 15.967 -11.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.311 16.339 -10.384 1.00 0.00 H new ATOM 1098 N GLU A 70 -8.519 16.274 -3.070 1.00 0.00 N ATOM 1099 CA GLU A 70 -9.211 17.124 -2.112 1.00 0.00 C ATOM 1100 C GLU A 70 -8.264 18.179 -1.548 1.00 0.00 C ATOM 1101 O GLU A 70 -8.663 19.313 -1.304 1.00 0.00 O ATOM 1102 CB GLU A 70 -9.764 16.275 -0.968 1.00 0.00 C ATOM 1103 CG GLU A 70 -10.669 17.138 -0.084 1.00 0.00 C ATOM 1104 CD GLU A 70 -11.222 16.303 1.065 1.00 0.00 C ATOM 1105 OE1 GLU A 70 -11.134 15.089 0.988 1.00 0.00 O ATOM 1106 OE2 GLU A 70 -11.728 16.891 2.006 1.00 0.00 O ATOM 0 H GLU A 70 -8.305 15.336 -2.730 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.031 17.625 -2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.325 15.430 -1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.945 15.864 -0.377 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.107 17.986 0.309 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.488 17.546 -0.676 1.00 0.00 H new ATOM 1113 N HIS A 71 -7.004 17.791 -1.339 1.00 0.00 N ATOM 1114 CA HIS A 71 -6.001 18.707 -0.795 1.00 0.00 C ATOM 1115 C HIS A 71 -4.715 18.648 -1.604 1.00 0.00 C ATOM 1116 O HIS A 71 -4.275 17.574 -2.010 1.00 0.00 O ATOM 1117 CB HIS A 71 -5.708 18.346 0.662 1.00 0.00 C ATOM 1118 CG HIS A 71 -6.967 18.479 1.480 1.00 0.00 C ATOM 1119 ND1 HIS A 71 -7.594 19.570 2.029 1.00 0.00 N flip ATOM 1120 CD2 HIS A 71 -7.741 17.384 1.828 1.00 0.00 C flip ATOM 1121 CE1 HIS A 71 -8.740 19.162 2.705 1.00 0.00 C flip ATOM 1122 NE2 HIS A 71 -8.780 17.836 2.552 1.00 0.00 N flip ATOM 0 H HIS A 71 -6.656 16.853 -1.537 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.397 19.721 -0.850 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.328 17.326 0.725 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.933 19.001 1.060 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -7.545 16.355 1.566 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -9.445 19.783 3.238 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -9.511 17.238 2.938 1.00 0.00 H new ATOM 1130 N ASP A 72 -4.119 19.812 -1.839 1.00 0.00 N ATOM 1131 CA ASP A 72 -2.881 19.885 -2.605 1.00 0.00 C ATOM 1132 C ASP A 72 -1.764 19.137 -1.883 1.00 0.00 C ATOM 1133 O ASP A 72 -1.011 18.384 -2.500 1.00 0.00 O ATOM 1134 CB ASP A 72 -2.471 21.344 -2.800 1.00 0.00 C ATOM 1135 CG ASP A 72 -1.187 21.423 -3.624 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -0.562 20.393 -3.816 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -0.850 22.513 -4.054 1.00 0.00 O ATOM 0 H ASP A 72 -4.470 20.712 -1.512 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.050 19.422 -3.577 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.269 21.890 -3.303 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.320 21.820 -1.831 1.00 0.00 H new ATOM 1142 N VAL A 73 -1.669 19.336 -0.571 1.00 0.00 N ATOM 1143 CA VAL A 73 -0.640 18.666 0.216 1.00 0.00 C ATOM 1144 C VAL A 73 -0.564 17.189 -0.159 1.00 0.00 C ATOM 1145 O VAL A 73 0.509 16.592 -0.137 1.00 0.00 O ATOM 1146 CB VAL A 73 -0.962 18.815 1.712 1.00 0.00 C ATOM 1147 CG1 VAL A 73 -2.438 18.398 1.980 1.00 0.00 C ATOM 1148 CG2 VAL A 73 -0.006 17.926 2.532 1.00 0.00 C ATOM 0 H VAL A 73 -2.285 19.949 -0.036 1.00 0.00 H new ATOM 0 HA VAL A 73 0.326 19.126 0.007 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.831 19.855 2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.660 18.506 3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.107 19.036 1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.582 17.359 1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.233 18.030 3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.132 16.885 2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.024 18.233 2.349 1.00 0.00 H new ATOM 1158 N ILE A 74 -1.707 16.616 -0.534 1.00 0.00 N ATOM 1159 CA ILE A 74 -1.763 15.208 -0.946 1.00 0.00 C ATOM 1160 C ILE A 74 -1.988 15.126 -2.443 1.00 0.00 C ATOM 1161 O ILE A 74 -1.784 14.072 -3.040 1.00 0.00 O ATOM 1162 CB ILE A 74 -2.887 14.479 -0.209 1.00 0.00 C ATOM 1163 CG1 ILE A 74 -2.708 14.662 1.306 1.00 0.00 C ATOM 1164 CG2 ILE A 74 -2.830 12.987 -0.548 1.00 0.00 C ATOM 1165 CD1 ILE A 74 -1.334 14.139 1.758 1.00 0.00 C ATOM 0 H ILE A 74 -2.605 17.100 -0.562 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.817 14.729 -0.694 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.849 14.889 -0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.804 15.717 1.564 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.498 14.131 1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.630 12.464 -0.024 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.952 12.853 -1.623 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.867 12.580 -0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.228 14.278 2.834 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.252 13.079 1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.547 14.689 1.242 1.00 0.00 H new ATOM 1177 N GLY A 75 -2.398 16.245 -3.041 1.00 0.00 N ATOM 1178 CA GLY A 75 -2.630 16.284 -4.482 1.00 0.00 C ATOM 1179 C GLY A 75 -1.474 15.639 -5.239 1.00 0.00 C ATOM 1180 O GLY A 75 -0.529 15.139 -4.633 1.00 0.00 O ATOM 0 H GLY A 75 -2.574 17.125 -2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.559 15.765 -4.719 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.751 17.317 -4.807 1.00 0.00 H new ATOM 1184 N THR A 76 -1.552 15.652 -6.567 1.00 0.00 N ATOM 1185 CA THR A 76 -0.504 15.059 -7.394 1.00 0.00 C ATOM 1186 C THR A 76 -0.467 13.547 -7.206 1.00 0.00 C ATOM 1187 O THR A 76 -0.129 12.804 -8.128 1.00 0.00 O ATOM 1188 CB THR A 76 0.859 15.663 -7.035 1.00 0.00 C ATOM 1189 OG1 THR A 76 0.724 17.066 -6.872 1.00 0.00 O ATOM 1190 CG2 THR A 76 1.860 15.370 -8.155 1.00 0.00 C ATOM 0 H THR A 76 -2.324 16.064 -7.091 1.00 0.00 H new ATOM 0 HA THR A 76 -0.725 15.276 -8.439 1.00 0.00 H new ATOM 0 HB THR A 76 1.219 15.222 -6.105 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.594 17.454 -6.641 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.828 15.800 -7.899 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.963 14.292 -8.278 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.503 15.809 -9.086 1.00 0.00 H new ATOM 1198 N LYS A 77 -0.813 13.093 -6.005 1.00 0.00 N ATOM 1199 CA LYS A 77 -0.816 11.676 -5.711 1.00 0.00 C ATOM 1200 C LYS A 77 -1.833 10.950 -6.578 1.00 0.00 C ATOM 1201 O LYS A 77 -1.589 9.839 -7.043 1.00 0.00 O ATOM 1202 CB LYS A 77 -1.131 11.447 -4.228 1.00 0.00 C ATOM 1203 CG LYS A 77 -1.249 9.948 -3.935 1.00 0.00 C ATOM 1204 CD LYS A 77 0.030 9.227 -4.380 1.00 0.00 C ATOM 1205 CE LYS A 77 0.125 7.871 -3.695 1.00 0.00 C ATOM 1206 NZ LYS A 77 1.261 7.106 -4.276 1.00 0.00 N ATOM 0 H LYS A 77 -1.093 13.689 -5.226 1.00 0.00 H new ATOM 0 HA LYS A 77 0.174 11.276 -5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.346 11.884 -3.611 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.061 11.950 -3.965 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.415 9.789 -2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.111 9.533 -4.457 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.027 9.098 -5.462 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.903 9.831 -4.133 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.270 8.002 -2.623 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.805 7.318 -3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.448 6.265 -3.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.021 6.810 -5.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.109 7.707 -4.298 1.00 0.00 H new ATOM 1220 N VAL A 78 -2.981 11.581 -6.785 1.00 0.00 N ATOM 1221 CA VAL A 78 -4.034 10.980 -7.594 1.00 0.00 C ATOM 1222 C VAL A 78 -3.526 10.714 -9.008 1.00 0.00 C ATOM 1223 O VAL A 78 -3.745 9.634 -9.568 1.00 0.00 O ATOM 1224 CB VAL A 78 -5.244 11.918 -7.650 1.00 0.00 C ATOM 1225 CG1 VAL A 78 -4.813 13.287 -8.184 1.00 0.00 C ATOM 1226 CG2 VAL A 78 -6.308 11.327 -8.573 1.00 0.00 C ATOM 0 H VAL A 78 -3.206 12.501 -6.408 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.329 10.034 -7.140 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.654 12.033 -6.647 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.677 13.951 -8.222 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.057 13.713 -7.525 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.399 13.173 -9.186 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.168 11.995 -8.612 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.895 11.208 -9.575 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.621 10.355 -8.192 1.00 0.00 H new ATOM 1236 N CYS A 79 -2.838 11.699 -9.579 1.00 0.00 N ATOM 1237 CA CYS A 79 -2.302 11.556 -10.927 1.00 0.00 C ATOM 1238 C CYS A 79 -1.249 10.451 -10.965 1.00 0.00 C ATOM 1239 O CYS A 79 -1.279 9.579 -11.838 1.00 0.00 O ATOM 1240 CB CYS A 79 -1.677 12.876 -11.380 1.00 0.00 C ATOM 1241 SG CYS A 79 -2.959 14.153 -11.472 1.00 0.00 S ATOM 0 H CYS A 79 -2.641 12.595 -9.134 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.117 11.291 -11.600 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -0.896 13.179 -10.682 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.203 12.751 -12.354 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.427 15.275 -11.855 1.00 0.00 H new ATOM 1247 N ALA A 80 -0.325 10.487 -10.008 1.00 0.00 N ATOM 1248 CA ALA A 80 0.726 9.481 -9.946 1.00 0.00 C ATOM 1249 C ALA A 80 0.120 8.094 -9.773 1.00 0.00 C ATOM 1250 O ALA A 80 0.407 7.180 -10.538 1.00 0.00 O ATOM 1251 CB ALA A 80 1.664 9.780 -8.773 1.00 0.00 C ATOM 0 H ALA A 80 -0.284 11.194 -9.274 1.00 0.00 H new ATOM 0 HA ALA A 80 1.291 9.508 -10.878 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.448 9.024 -8.732 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.115 10.763 -8.909 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.098 9.766 -7.842 1.00 0.00 H new ATOM 1257 N LEU A 81 -0.735 7.949 -8.772 1.00 0.00 N ATOM 1258 CA LEU A 81 -1.371 6.668 -8.514 1.00 0.00 C ATOM 1259 C LEU A 81 -2.002 6.130 -9.789 1.00 0.00 C ATOM 1260 O LEU A 81 -1.926 4.935 -10.071 1.00 0.00 O ATOM 1261 CB LEU A 81 -2.452 6.826 -7.430 1.00 0.00 C ATOM 1262 CG LEU A 81 -3.163 5.483 -7.196 1.00 0.00 C ATOM 1263 CD1 LEU A 81 -2.136 4.407 -6.800 1.00 0.00 C ATOM 1264 CD2 LEU A 81 -4.196 5.647 -6.077 1.00 0.00 C ATOM 0 H LEU A 81 -1.002 8.696 -8.131 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.613 5.965 -8.167 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.999 7.174 -6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.176 7.582 -7.734 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.663 5.174 -8.114 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.648 3.459 -6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.404 4.291 -7.599 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.628 4.708 -5.884 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.703 4.697 -5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.694 5.959 -5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.927 6.402 -6.365 1.00 0.00 H new ATOM 1276 N LEU A 82 -2.628 7.014 -10.553 1.00 0.00 N ATOM 1277 CA LEU A 82 -3.267 6.595 -11.790 1.00 0.00 C ATOM 1278 C LEU A 82 -2.227 6.025 -12.755 1.00 0.00 C ATOM 1279 O LEU A 82 -2.412 4.947 -13.327 1.00 0.00 O ATOM 1280 CB LEU A 82 -3.966 7.795 -12.444 1.00 0.00 C ATOM 1281 CG LEU A 82 -4.669 7.356 -13.737 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -5.754 6.313 -13.417 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -5.308 8.577 -14.404 1.00 0.00 C ATOM 0 H LEU A 82 -2.706 8.009 -10.343 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.002 5.823 -11.562 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.692 8.223 -11.753 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.237 8.575 -12.664 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.938 6.910 -14.412 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.248 6.007 -14.339 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.295 5.444 -12.945 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.489 6.748 -12.739 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.808 8.270 -15.322 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.036 9.023 -13.726 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.535 9.309 -14.639 1.00 0.00 H new ATOM 1295 N ASP A 83 -1.128 6.752 -12.927 1.00 0.00 N ATOM 1296 CA ASP A 83 -0.064 6.306 -13.817 1.00 0.00 C ATOM 1297 C ASP A 83 0.558 5.016 -13.295 1.00 0.00 C ATOM 1298 O ASP A 83 0.856 4.104 -14.061 1.00 0.00 O ATOM 1299 CB ASP A 83 1.007 7.392 -13.934 1.00 0.00 C ATOM 1300 CG ASP A 83 0.476 8.561 -14.760 1.00 0.00 C ATOM 1301 OD1 ASP A 83 -0.494 8.369 -15.477 1.00 0.00 O ATOM 1302 OD2 ASP A 83 1.041 9.638 -14.660 1.00 0.00 O ATOM 0 H ASP A 83 -0.952 7.645 -12.466 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.489 6.115 -14.803 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.295 7.738 -12.942 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.902 6.983 -14.402 1.00 0.00 H new ATOM 1307 N ARG A 84 0.749 4.950 -11.985 1.00 0.00 N ATOM 1308 CA ARG A 84 1.339 3.768 -11.369 1.00 0.00 C ATOM 1309 C ARG A 84 0.440 2.561 -11.581 1.00 0.00 C ATOM 1310 O ARG A 84 0.917 1.460 -11.847 1.00 0.00 O ATOM 1311 CB ARG A 84 1.548 4.021 -9.859 1.00 0.00 C ATOM 1312 CG ARG A 84 2.960 4.548 -9.597 1.00 0.00 C ATOM 1313 CD ARG A 84 3.145 5.900 -10.279 1.00 0.00 C ATOM 1314 NE ARG A 84 4.517 6.353 -10.137 1.00 0.00 N ATOM 1315 CZ ARG A 84 4.896 7.536 -10.604 1.00 0.00 C ATOM 1316 NH1 ARG A 84 4.030 8.313 -11.201 1.00 0.00 N ATOM 1317 NH2 ARG A 84 6.133 7.923 -10.469 1.00 0.00 N ATOM 0 H ARG A 84 0.506 5.695 -11.331 1.00 0.00 H new ATOM 0 HA ARG A 84 2.304 3.566 -11.834 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.812 4.740 -9.499 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.389 3.097 -9.303 1.00 0.00 H new ATOM 0 HG2 ARG A 84 3.128 4.646 -8.524 1.00 0.00 H new ATOM 0 HG3 ARG A 84 3.698 3.838 -9.971 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.889 5.820 -11.335 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.466 6.632 -9.841 1.00 0.00 H new ATOM 0 HE ARG A 84 5.199 5.754 -9.672 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.062 8.010 -11.308 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.323 9.222 -11.559 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.809 7.317 -10.005 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.425 8.832 -10.828 1.00 0.00 H new ATOM 1331 N LEU A 85 -0.858 2.775 -11.454 1.00 0.00 N ATOM 1332 CA LEU A 85 -1.812 1.699 -11.632 1.00 0.00 C ATOM 1333 C LEU A 85 -1.987 1.377 -13.111 1.00 0.00 C ATOM 1334 O LEU A 85 -2.459 0.298 -13.469 1.00 0.00 O ATOM 1335 CB LEU A 85 -3.157 2.090 -11.024 1.00 0.00 C ATOM 1336 CG LEU A 85 -4.171 0.926 -11.201 1.00 0.00 C ATOM 1337 CD1 LEU A 85 -4.981 0.741 -9.915 1.00 0.00 C ATOM 1338 CD2 LEU A 85 -5.130 1.240 -12.359 1.00 0.00 C ATOM 0 H LEU A 85 -1.272 3.680 -11.229 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.432 0.812 -11.125 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.035 2.321 -9.966 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.536 2.992 -11.505 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.621 0.011 -11.421 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.690 -0.077 -10.046 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.307 0.508 -9.091 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.524 1.660 -9.692 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.838 0.420 -12.478 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.673 2.160 -12.142 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.560 1.363 -13.280 1.00 0.00 H new ATOM 1350 N ALA A 86 -1.618 2.323 -13.966 1.00 0.00 N ATOM 1351 CA ALA A 86 -1.750 2.135 -15.404 1.00 0.00 C ATOM 1352 C ALA A 86 -0.946 0.923 -15.862 1.00 0.00 C ATOM 1353 O ALA A 86 -1.368 0.186 -16.753 1.00 0.00 O ATOM 1354 CB ALA A 86 -1.254 3.381 -16.140 1.00 0.00 C ATOM 0 H ALA A 86 -1.227 3.224 -13.690 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.802 1.969 -15.634 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.356 3.233 -17.215 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.846 4.244 -15.835 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.206 3.555 -15.895 1.00 0.00 H new ATOM 1360 N GLY A 87 0.211 0.719 -15.245 1.00 0.00 N ATOM 1361 CA GLY A 87 1.063 -0.411 -15.596 1.00 0.00 C ATOM 1362 C GLY A 87 2.497 -0.179 -15.133 1.00 0.00 C ATOM 1363 O GLY A 87 3.442 -0.614 -15.787 1.00 0.00 O ATOM 0 H GLY A 87 0.579 1.316 -14.504 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.673 -1.321 -15.140 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.046 -0.563 -16.675 1.00 0.00 H new ATOM 1367 N ASP A 88 2.649 0.508 -14.002 1.00 0.00 N ATOM 1368 CA ASP A 88 3.973 0.795 -13.458 1.00 0.00 C ATOM 1369 C ASP A 88 3.921 0.869 -11.939 1.00 0.00 C ATOM 1370 O ASP A 88 3.924 1.953 -11.362 1.00 0.00 O ATOM 1371 CB ASP A 88 4.487 2.127 -14.017 1.00 0.00 C ATOM 1372 CG ASP A 88 4.938 1.953 -15.464 1.00 0.00 C ATOM 1373 OD1 ASP A 88 5.289 0.844 -15.830 1.00 0.00 O ATOM 1374 OD2 ASP A 88 4.924 2.936 -16.188 1.00 0.00 O ATOM 0 H ASP A 88 1.875 0.874 -13.448 1.00 0.00 H new ATOM 0 HA ASP A 88 4.649 -0.009 -13.749 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.701 2.880 -13.962 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.318 2.488 -13.411 1.00 0.00 H new ATOM 1379 N TYR A 89 3.880 -0.295 -11.295 1.00 0.00 N ATOM 1380 CA TYR A 89 3.832 -0.360 -9.829 1.00 0.00 C ATOM 1381 C TYR A 89 5.151 -0.901 -9.285 1.00 0.00 C ATOM 1382 O TYR A 89 6.188 -0.252 -9.403 1.00 0.00 O ATOM 1383 CB TYR A 89 2.665 -1.256 -9.391 1.00 0.00 C ATOM 1384 CG TYR A 89 2.613 -2.493 -10.263 1.00 0.00 C ATOM 1385 CD1 TYR A 89 2.213 -2.384 -11.605 1.00 0.00 C ATOM 1386 CD2 TYR A 89 2.968 -3.748 -9.742 1.00 0.00 C ATOM 1387 CE1 TYR A 89 2.169 -3.524 -12.414 1.00 0.00 C ATOM 1388 CE2 TYR A 89 2.925 -4.881 -10.556 1.00 0.00 C ATOM 1389 CZ TYR A 89 2.525 -4.769 -11.890 1.00 0.00 C ATOM 1390 OH TYR A 89 2.479 -5.893 -12.688 1.00 0.00 O ATOM 0 H TYR A 89 3.879 -1.204 -11.758 1.00 0.00 H new ATOM 0 HA TYR A 89 3.679 0.642 -9.429 1.00 0.00 H new ATOM 0 HB2 TYR A 89 2.786 -1.541 -8.346 1.00 0.00 H new ATOM 0 HB3 TYR A 89 1.726 -0.708 -9.465 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.940 -1.421 -12.012 1.00 0.00 H new ATOM 0 HD2 TYR A 89 3.275 -3.836 -8.710 1.00 0.00 H new ATOM 0 HE1 TYR A 89 1.859 -3.442 -13.445 1.00 0.00 H new ATOM 0 HE2 TYR A 89 3.201 -5.845 -10.154 1.00 0.00 H new ATOM 0 HH TYR A 89 2.759 -6.675 -12.168 1.00 0.00 H new ATOM 1400 N VAL A 90 5.102 -2.087 -8.694 1.00 0.00 N ATOM 1401 CA VAL A 90 6.290 -2.719 -8.129 1.00 0.00 C ATOM 1402 C VAL A 90 6.400 -4.157 -8.607 1.00 0.00 C ATOM 1403 O VAL A 90 5.414 -4.758 -9.030 1.00 0.00 O ATOM 1404 CB VAL A 90 6.214 -2.691 -6.604 1.00 0.00 C ATOM 1405 CG1 VAL A 90 6.216 -1.239 -6.120 1.00 0.00 C ATOM 1406 CG2 VAL A 90 4.928 -3.376 -6.139 1.00 0.00 C ATOM 0 H VAL A 90 4.248 -2.635 -8.592 1.00 0.00 H new ATOM 0 HA VAL A 90 7.171 -2.168 -8.459 1.00 0.00 H new ATOM 0 HB VAL A 90 7.075 -3.217 -6.192 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.162 -1.218 -5.032 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.132 -0.748 -6.447 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.355 -0.716 -6.536 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.877 -3.354 -5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.066 -2.852 -6.553 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.922 -4.411 -6.482 1.00 0.00 H new ATOM 1416 N TYR A 91 7.611 -4.702 -8.542 1.00 0.00 N ATOM 1417 CA TYR A 91 7.857 -6.077 -8.979 1.00 0.00 C ATOM 1418 C TYR A 91 8.543 -6.862 -7.879 1.00 0.00 C ATOM 1419 O TYR A 91 9.184 -6.287 -6.999 1.00 0.00 O ATOM 1420 CB TYR A 91 8.732 -6.079 -10.230 1.00 0.00 C ATOM 1421 CG TYR A 91 8.060 -5.270 -11.317 1.00 0.00 C ATOM 1422 CD1 TYR A 91 6.823 -5.678 -11.832 1.00 0.00 C ATOM 1423 CD2 TYR A 91 8.671 -4.107 -11.808 1.00 0.00 C ATOM 1424 CE1 TYR A 91 6.200 -4.927 -12.837 1.00 0.00 C ATOM 1425 CE2 TYR A 91 8.046 -3.356 -12.810 1.00 0.00 C ATOM 1426 CZ TYR A 91 6.811 -3.766 -13.324 1.00 0.00 C ATOM 1427 OH TYR A 91 6.197 -3.028 -14.313 1.00 0.00 O ATOM 0 H TYR A 91 8.437 -4.216 -8.192 1.00 0.00 H new ATOM 0 HA TYR A 91 6.900 -6.546 -9.208 1.00 0.00 H new ATOM 0 HB2 TYR A 91 9.712 -5.659 -10.002 1.00 0.00 H new ATOM 0 HB3 TYR A 91 8.895 -7.101 -10.571 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.349 -6.572 -11.454 1.00 0.00 H new ATOM 0 HD2 TYR A 91 9.625 -3.791 -11.412 1.00 0.00 H new ATOM 0 HE1 TYR A 91 5.248 -5.244 -13.236 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.517 -2.460 -13.186 1.00 0.00 H new ATOM 0 HH TYR A 91 6.754 -2.253 -14.536 1.00 0.00 H new ATOM 1437 N LEU A 92 8.404 -8.182 -7.935 1.00 0.00 N ATOM 1438 CA LEU A 92 9.020 -9.047 -6.939 1.00 0.00 C ATOM 1439 C LEU A 92 9.671 -10.251 -7.598 1.00 0.00 C ATOM 1440 O LEU A 92 9.021 -10.989 -8.335 1.00 0.00 O ATOM 1441 CB LEU A 92 7.964 -9.513 -5.939 1.00 0.00 C ATOM 1442 CG LEU A 92 8.645 -10.218 -4.729 1.00 0.00 C ATOM 1443 CD1 LEU A 92 7.930 -9.831 -3.435 1.00 0.00 C ATOM 1444 CD2 LEU A 92 8.576 -11.741 -4.908 1.00 0.00 C ATOM 0 H LEU A 92 7.874 -8.673 -8.655 1.00 0.00 H new ATOM 0 HA LEU A 92 9.792 -8.480 -6.418 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.380 -8.661 -5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.269 -10.198 -6.425 1.00 0.00 H new ATOM 0 HG LEU A 92 9.688 -9.904 -4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.410 -10.327 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.983 -8.751 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.886 -10.139 -3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.054 -12.229 -4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.533 -12.054 -4.967 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.092 -12.023 -5.826 1.00 0.00 H new ATOM 1456 N PHE A 93 10.959 -10.449 -7.323 1.00 0.00 N ATOM 1457 CA PHE A 93 11.692 -11.581 -7.896 1.00 0.00 C ATOM 1458 C PHE A 93 12.532 -12.271 -6.829 1.00 0.00 C ATOM 1459 O PHE A 93 12.940 -11.652 -5.847 1.00 0.00 O ATOM 1460 CB PHE A 93 12.599 -11.089 -9.023 1.00 0.00 C ATOM 1461 CG PHE A 93 11.764 -10.389 -10.070 1.00 0.00 C ATOM 1462 CD1 PHE A 93 10.914 -11.131 -10.899 1.00 0.00 C ATOM 1463 CD2 PHE A 93 11.838 -8.997 -10.211 1.00 0.00 C ATOM 1464 CE1 PHE A 93 10.141 -10.482 -11.870 1.00 0.00 C ATOM 1465 CE2 PHE A 93 11.066 -8.348 -11.181 1.00 0.00 C ATOM 1466 CZ PHE A 93 10.217 -9.091 -12.010 1.00 0.00 C ATOM 0 H PHE A 93 11.514 -9.848 -6.713 1.00 0.00 H new ATOM 0 HA PHE A 93 10.972 -12.297 -8.291 1.00 0.00 H new ATOM 0 HB2 PHE A 93 13.352 -10.408 -8.627 1.00 0.00 H new ATOM 0 HB3 PHE A 93 13.132 -11.929 -9.469 1.00 0.00 H new ATOM 0 HD1 PHE A 93 10.854 -12.204 -10.790 1.00 0.00 H new ATOM 0 HD2 PHE A 93 12.492 -8.424 -9.570 1.00 0.00 H new ATOM 0 HE1 PHE A 93 9.486 -11.054 -12.511 1.00 0.00 H new ATOM 0 HE2 PHE A 93 11.125 -7.275 -11.290 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.620 -8.591 -12.758 1.00 0.00 H new ATOM 1476 N ASP A 94 12.791 -13.560 -7.032 1.00 0.00 N ATOM 1477 CA ASP A 94 13.588 -14.336 -6.083 1.00 0.00 C ATOM 1478 C ASP A 94 15.069 -14.247 -6.434 1.00 0.00 C ATOM 1479 O ASP A 94 15.476 -13.421 -7.250 1.00 0.00 O ATOM 1480 CB ASP A 94 13.148 -15.797 -6.099 1.00 0.00 C ATOM 1481 CG ASP A 94 13.403 -16.406 -7.471 1.00 0.00 C ATOM 1482 OD1 ASP A 94 13.797 -15.670 -8.360 1.00 0.00 O ATOM 1483 OD2 ASP A 94 13.202 -17.600 -7.609 1.00 0.00 O ATOM 0 H ASP A 94 12.463 -14.088 -7.841 1.00 0.00 H new ATOM 0 HA ASP A 94 13.433 -13.923 -5.086 1.00 0.00 H new ATOM 0 HB2 ASP A 94 13.691 -16.357 -5.338 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.089 -15.868 -5.852 1.00 0.00 H new ATOM 1488 N GLU A 95 15.871 -15.094 -5.801 1.00 0.00 N ATOM 1489 CA GLU A 95 17.309 -15.098 -6.045 1.00 0.00 C ATOM 1490 C GLU A 95 17.620 -15.698 -7.410 1.00 0.00 C ATOM 1491 O GLU A 95 18.215 -16.770 -7.507 1.00 0.00 O ATOM 1492 CB GLU A 95 18.023 -15.906 -4.960 1.00 0.00 C ATOM 1493 CG GLU A 95 17.562 -15.425 -3.573 1.00 0.00 C ATOM 1494 CD GLU A 95 16.254 -16.116 -3.184 1.00 0.00 C ATOM 1495 OE1 GLU A 95 15.720 -16.843 -4.006 1.00 0.00 O ATOM 1496 OE2 GLU A 95 15.807 -15.911 -2.070 1.00 0.00 O ATOM 0 H GLU A 95 15.554 -15.783 -5.119 1.00 0.00 H new ATOM 0 HA GLU A 95 17.662 -14.067 -6.023 1.00 0.00 H new ATOM 0 HB2 GLU A 95 17.805 -16.967 -5.079 1.00 0.00 H new ATOM 0 HB3 GLU A 95 19.102 -15.790 -5.056 1.00 0.00 H new ATOM 0 HG2 GLU A 95 18.331 -15.641 -2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 95 17.422 -14.344 -3.582 1.00 0.00 H new ATOM 1503 N GLY A 96 17.214 -14.997 -8.462 1.00 0.00 N ATOM 1504 CA GLY A 96 17.457 -15.470 -9.821 1.00 0.00 C ATOM 1505 C GLY A 96 16.657 -14.657 -10.832 1.00 0.00 C ATOM 1506 O GLY A 96 17.225 -14.037 -11.731 1.00 0.00 O ATOM 0 H GLY A 96 16.719 -14.107 -8.403 1.00 0.00 H new ATOM 0 HA2 GLY A 96 18.520 -15.398 -10.051 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.185 -16.523 -9.898 1.00 0.00 H new ATOM 1510 N GLY A 97 15.336 -14.666 -10.681 1.00 0.00 N ATOM 1511 CA GLY A 97 14.468 -13.927 -11.590 1.00 0.00 C ATOM 1512 C GLY A 97 13.051 -14.491 -11.567 1.00 0.00 C ATOM 1513 O GLY A 97 12.102 -13.825 -11.978 1.00 0.00 O ATOM 0 H GLY A 97 14.847 -15.173 -9.943 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.450 -12.875 -11.307 1.00 0.00 H new ATOM 0 HA3 GLY A 97 14.868 -13.978 -12.603 1.00 0.00 H new ATOM 1517 N ASP A 98 12.918 -15.722 -11.082 1.00 0.00 N ATOM 1518 CA ASP A 98 11.611 -16.363 -11.006 1.00 0.00 C ATOM 1519 C ASP A 98 10.741 -15.677 -9.960 1.00 0.00 C ATOM 1520 O ASP A 98 11.221 -15.307 -8.889 1.00 0.00 O ATOM 1521 CB ASP A 98 11.774 -17.842 -10.653 1.00 0.00 C ATOM 1522 CG ASP A 98 12.360 -18.600 -11.840 1.00 0.00 C ATOM 1523 OD1 ASP A 98 12.398 -18.034 -12.919 1.00 0.00 O ATOM 1524 OD2 ASP A 98 12.766 -19.735 -11.648 1.00 0.00 O ATOM 0 H ASP A 98 13.692 -16.291 -10.739 1.00 0.00 H new ATOM 0 HA ASP A 98 11.125 -16.276 -11.978 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.426 -17.948 -9.786 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.808 -18.268 -10.380 1.00 0.00 H new ATOM 1529 N GLU A 99 9.462 -15.509 -10.275 1.00 0.00 N ATOM 1530 CA GLU A 99 8.536 -14.861 -9.352 1.00 0.00 C ATOM 1531 C GLU A 99 8.038 -15.853 -8.307 1.00 0.00 C ATOM 1532 O GLU A 99 7.028 -16.526 -8.507 1.00 0.00 O ATOM 1533 CB GLU A 99 7.345 -14.293 -10.126 1.00 0.00 C ATOM 1534 CG GLU A 99 7.815 -13.138 -11.011 1.00 0.00 C ATOM 1535 CD GLU A 99 6.658 -12.639 -11.872 1.00 0.00 C ATOM 1536 OE1 GLU A 99 5.565 -13.158 -11.721 1.00 0.00 O ATOM 1537 OE2 GLU A 99 6.885 -11.749 -12.675 1.00 0.00 O ATOM 0 H GLU A 99 9.044 -15.810 -11.156 1.00 0.00 H new ATOM 0 HA GLU A 99 9.062 -14.052 -8.845 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.891 -15.072 -10.738 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.579 -13.945 -9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.196 -12.326 -10.392 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.637 -13.467 -11.647 1.00 0.00 H new ATOM 1544 N VAL A 100 8.753 -15.933 -7.186 1.00 0.00 N ATOM 1545 CA VAL A 100 8.371 -16.842 -6.110 1.00 0.00 C ATOM 1546 C VAL A 100 8.910 -16.348 -4.774 1.00 0.00 C ATOM 1547 O VAL A 100 10.066 -15.932 -4.676 1.00 0.00 O ATOM 1548 CB VAL A 100 8.917 -18.243 -6.394 1.00 0.00 C ATOM 1549 CG1 VAL A 100 10.445 -18.200 -6.425 1.00 0.00 C ATOM 1550 CG2 VAL A 100 8.455 -19.203 -5.296 1.00 0.00 C ATOM 0 H VAL A 100 9.593 -15.384 -7.001 1.00 0.00 H new ATOM 0 HA VAL A 100 7.283 -16.877 -6.059 1.00 0.00 H new ATOM 0 HB VAL A 100 8.545 -18.588 -7.359 1.00 0.00 H new ATOM 0 HG11 VAL A 100 10.833 -19.198 -6.627 1.00 0.00 H new ATOM 0 HG12 VAL A 100 10.774 -17.517 -7.208 1.00 0.00 H new ATOM 0 HG13 VAL A 100 10.819 -17.854 -5.461 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.844 -20.201 -5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.826 -18.858 -4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.366 -19.235 -5.276 1.00 0.00 H new ATOM 1560 N ILE A 101 8.070 -16.398 -3.747 1.00 0.00 N ATOM 1561 CA ILE A 101 8.475 -15.947 -2.422 1.00 0.00 C ATOM 1562 C ILE A 101 9.560 -16.854 -1.866 1.00 0.00 C ATOM 1563 O ILE A 101 9.443 -18.078 -1.911 1.00 0.00 O ATOM 1564 CB ILE A 101 7.272 -15.959 -1.477 1.00 0.00 C ATOM 1565 CG1 ILE A 101 6.125 -15.163 -2.102 1.00 0.00 C ATOM 1566 CG2 ILE A 101 7.666 -15.323 -0.141 1.00 0.00 C ATOM 1567 CD1 ILE A 101 4.867 -15.324 -1.249 1.00 0.00 C ATOM 0 H ILE A 101 7.112 -16.743 -3.805 1.00 0.00 H new ATOM 0 HA ILE A 101 8.864 -14.932 -2.504 1.00 0.00 H new ATOM 0 HB ILE A 101 6.952 -16.987 -1.309 1.00 0.00 H new ATOM 0 HG12 ILE A 101 6.396 -14.110 -2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 101 5.936 -15.513 -3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.809 -15.331 0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 101 8.484 -15.890 0.305 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.986 -14.295 -0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.050 -14.757 -1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.593 -16.378 -1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.060 -14.953 -0.243 1.00 0.00 H new ATOM 1579 N ALA A 102 10.625 -16.245 -1.345 1.00 0.00 N ATOM 1580 CA ALA A 102 11.730 -17.015 -0.789 1.00 0.00 C ATOM 1581 C ALA A 102 12.401 -16.248 0.355 1.00 0.00 C ATOM 1582 O ALA A 102 12.080 -15.083 0.608 1.00 0.00 O ATOM 1583 CB ALA A 102 12.757 -17.323 -1.907 1.00 0.00 C ATOM 0 H ALA A 102 10.743 -15.233 -1.298 1.00 0.00 H new ATOM 0 HA ALA A 102 11.344 -17.951 -0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 102 13.584 -17.899 -1.492 1.00 0.00 H new ATOM 0 HB2 ALA A 102 12.274 -17.899 -2.696 1.00 0.00 H new ATOM 0 HB3 ALA A 102 13.137 -16.388 -2.320 1.00 0.00 H new ATOM 1589 N PRO A 103 13.331 -16.877 1.035 1.00 0.00 N ATOM 1590 CA PRO A 103 14.067 -16.240 2.162 1.00 0.00 C ATOM 1591 C PRO A 103 14.636 -14.876 1.771 1.00 0.00 C ATOM 1592 O PRO A 103 14.583 -13.931 2.556 1.00 0.00 O ATOM 1593 CB PRO A 103 15.194 -17.241 2.470 1.00 0.00 C ATOM 1594 CG PRO A 103 14.679 -18.564 2.001 1.00 0.00 C ATOM 1595 CD PRO A 103 13.774 -18.271 0.811 1.00 0.00 C ATOM 0 HA PRO A 103 13.423 -16.044 3.019 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.114 -16.970 1.952 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.422 -17.262 3.536 1.00 0.00 H new ATOM 0 HG2 PRO A 103 15.500 -19.221 1.713 1.00 0.00 H new ATOM 0 HG3 PRO A 103 14.128 -19.070 2.794 1.00 0.00 H new ATOM 0 HD2 PRO A 103 14.310 -18.373 -0.133 1.00 0.00 H new ATOM 0 HD3 PRO A 103 12.928 -18.958 0.774 1.00 0.00 H new ATOM 1603 N ARG A 104 15.167 -14.777 0.552 1.00 0.00 N ATOM 1604 CA ARG A 104 15.734 -13.517 0.062 1.00 0.00 C ATOM 1605 C ARG A 104 14.968 -13.048 -1.160 1.00 0.00 C ATOM 1606 O ARG A 104 15.309 -13.397 -2.287 1.00 0.00 O ATOM 1607 CB ARG A 104 17.205 -13.714 -0.303 1.00 0.00 C ATOM 1608 CG ARG A 104 17.959 -14.366 0.892 1.00 0.00 C ATOM 1609 CD ARG A 104 18.375 -15.790 0.524 1.00 0.00 C ATOM 1610 NE ARG A 104 18.950 -16.457 1.679 1.00 0.00 N ATOM 1611 CZ ARG A 104 19.300 -17.734 1.625 1.00 0.00 C ATOM 1612 NH1 ARG A 104 19.129 -18.413 0.523 1.00 0.00 N ATOM 1613 NH2 ARG A 104 19.816 -18.312 2.675 1.00 0.00 N ATOM 0 H ARG A 104 15.217 -15.549 -0.113 1.00 0.00 H new ATOM 0 HA ARG A 104 15.656 -12.766 0.848 1.00 0.00 H new ATOM 0 HB2 ARG A 104 17.289 -14.346 -1.187 1.00 0.00 H new ATOM 0 HB3 ARG A 104 17.659 -12.755 -0.553 1.00 0.00 H new ATOM 0 HG2 ARG A 104 18.838 -13.774 1.146 1.00 0.00 H new ATOM 0 HG3 ARG A 104 17.319 -14.380 1.774 1.00 0.00 H new ATOM 0 HD2 ARG A 104 17.510 -16.348 0.165 1.00 0.00 H new ATOM 0 HD3 ARG A 104 19.100 -15.767 -0.290 1.00 0.00 H new ATOM 0 HE ARG A 104 19.086 -15.935 2.544 1.00 0.00 H new ATOM 0 HH11 ARG A 104 18.726 -17.961 -0.297 1.00 0.00 H new ATOM 0 HH12 ARG A 104 19.399 -19.396 0.482 1.00 0.00 H new ATOM 0 HH21 ARG A 104 19.949 -17.781 3.536 1.00 0.00 H new ATOM 0 HH22 ARG A 104 20.086 -19.295 2.635 1.00 0.00 H new ATOM 1627 N MET A 105 13.928 -12.256 -0.926 1.00 0.00 N ATOM 1628 CA MET A 105 13.106 -11.740 -2.018 1.00 0.00 C ATOM 1629 C MET A 105 13.451 -10.284 -2.291 1.00 0.00 C ATOM 1630 O MET A 105 13.766 -9.530 -1.373 1.00 0.00 O ATOM 1631 CB MET A 105 11.625 -11.852 -1.652 1.00 0.00 C ATOM 1632 CG MET A 105 11.355 -11.094 -0.349 1.00 0.00 C ATOM 1633 SD MET A 105 9.603 -11.235 0.076 1.00 0.00 S ATOM 1634 CE MET A 105 9.552 -9.880 1.276 1.00 0.00 C ATOM 0 H MET A 105 13.634 -11.958 0.004 1.00 0.00 H new ATOM 0 HA MET A 105 13.304 -12.329 -2.914 1.00 0.00 H new ATOM 0 HB2 MET A 105 11.011 -11.444 -2.455 1.00 0.00 H new ATOM 0 HB3 MET A 105 11.347 -12.900 -1.538 1.00 0.00 H new ATOM 0 HG2 MET A 105 11.969 -11.500 0.455 1.00 0.00 H new ATOM 0 HG3 MET A 105 11.630 -10.045 -0.462 1.00 0.00 H new ATOM 0 HE1 MET A 105 9.161 -10.249 2.225 1.00 0.00 H new ATOM 0 HE2 MET A 105 10.558 -9.488 1.425 1.00 0.00 H new ATOM 0 HE3 MET A 105 8.906 -9.086 0.901 1.00 0.00 H new ATOM 1644 N TYR A 106 13.387 -9.895 -3.562 1.00 0.00 N ATOM 1645 CA TYR A 106 13.690 -8.520 -3.958 1.00 0.00 C ATOM 1646 C TYR A 106 12.433 -7.834 -4.473 1.00 0.00 C ATOM 1647 O TYR A 106 11.931 -8.168 -5.548 1.00 0.00 O ATOM 1648 CB TYR A 106 14.756 -8.521 -5.055 1.00 0.00 C ATOM 1649 CG TYR A 106 15.005 -7.100 -5.506 1.00 0.00 C ATOM 1650 CD1 TYR A 106 15.595 -6.182 -4.626 1.00 0.00 C ATOM 1651 CD2 TYR A 106 14.653 -6.699 -6.801 1.00 0.00 C ATOM 1652 CE1 TYR A 106 15.829 -4.865 -5.040 1.00 0.00 C ATOM 1653 CE2 TYR A 106 14.887 -5.384 -7.215 1.00 0.00 C ATOM 1654 CZ TYR A 106 15.476 -4.467 -6.334 1.00 0.00 C ATOM 1655 OH TYR A 106 15.706 -3.168 -6.745 1.00 0.00 O ATOM 0 H TYR A 106 13.129 -10.510 -4.334 1.00 0.00 H new ATOM 0 HA TYR A 106 14.062 -7.977 -3.089 1.00 0.00 H new ATOM 0 HB2 TYR A 106 15.679 -8.964 -4.681 1.00 0.00 H new ATOM 0 HB3 TYR A 106 14.428 -9.130 -5.897 1.00 0.00 H new ATOM 0 HD1 TYR A 106 15.869 -6.491 -3.628 1.00 0.00 H new ATOM 0 HD2 TYR A 106 14.200 -7.406 -7.480 1.00 0.00 H new ATOM 0 HE1 TYR A 106 16.281 -4.157 -4.361 1.00 0.00 H new ATOM 0 HE2 TYR A 106 14.614 -5.075 -8.213 1.00 0.00 H new ATOM 0 HH TYR A 106 15.050 -2.921 -7.430 1.00 0.00 H new ATOM 1665 N CYS A 107 11.932 -6.872 -3.696 1.00 0.00 N ATOM 1666 CA CYS A 107 10.727 -6.129 -4.071 1.00 0.00 C ATOM 1667 C CYS A 107 11.076 -4.684 -4.408 1.00 0.00 C ATOM 1668 O CYS A 107 11.491 -3.912 -3.541 1.00 0.00 O ATOM 1669 CB CYS A 107 9.719 -6.159 -2.924 1.00 0.00 C ATOM 1670 SG CYS A 107 10.394 -5.282 -1.493 1.00 0.00 S ATOM 0 H CYS A 107 12.341 -6.589 -2.805 1.00 0.00 H new ATOM 0 HA CYS A 107 10.289 -6.600 -4.951 1.00 0.00 H new ATOM 0 HB2 CYS A 107 8.783 -5.696 -3.238 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.490 -7.190 -2.655 1.00 0.00 H new ATOM 0 HG CYS A 107 11.258 -4.398 -1.894 1.00 0.00 H new ATOM 1676 N SER A 108 10.910 -4.328 -5.673 1.00 0.00 N ATOM 1677 CA SER A 108 11.212 -2.971 -6.121 1.00 0.00 C ATOM 1678 C SER A 108 10.661 -2.729 -7.525 1.00 0.00 C ATOM 1679 O SER A 108 10.313 -3.673 -8.234 1.00 0.00 O ATOM 1680 CB SER A 108 12.724 -2.737 -6.114 1.00 0.00 C ATOM 1681 OG SER A 108 13.277 -3.216 -7.332 1.00 0.00 O ATOM 0 H SER A 108 10.571 -4.952 -6.405 1.00 0.00 H new ATOM 0 HA SER A 108 10.736 -2.272 -5.433 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.939 -1.675 -5.996 1.00 0.00 H new ATOM 0 HB3 SER A 108 13.180 -3.250 -5.267 1.00 0.00 H new ATOM 0 HG SER A 108 13.795 -4.029 -7.158 1.00 0.00 H new ATOM 1687 N PHE A 109 10.594 -1.463 -7.918 1.00 0.00 N ATOM 1688 CA PHE A 109 10.094 -1.108 -9.242 1.00 0.00 C ATOM 1689 C PHE A 109 11.109 -1.481 -10.318 1.00 0.00 C ATOM 1690 O PHE A 109 10.745 -1.729 -11.467 1.00 0.00 O ATOM 1691 CB PHE A 109 9.800 0.390 -9.309 1.00 0.00 C ATOM 1692 CG PHE A 109 11.083 1.163 -9.115 1.00 0.00 C ATOM 1693 CD1 PHE A 109 11.867 1.504 -10.224 1.00 0.00 C ATOM 1694 CD2 PHE A 109 11.486 1.535 -7.828 1.00 0.00 C ATOM 1695 CE1 PHE A 109 13.056 2.221 -10.044 1.00 0.00 C ATOM 1696 CE2 PHE A 109 12.677 2.251 -7.649 1.00 0.00 C ATOM 1697 CZ PHE A 109 13.461 2.594 -8.757 1.00 0.00 C ATOM 0 H PHE A 109 10.877 -0.669 -7.344 1.00 0.00 H new ATOM 0 HA PHE A 109 9.174 -1.664 -9.421 1.00 0.00 H new ATOM 0 HB2 PHE A 109 9.353 0.641 -10.271 1.00 0.00 H new ATOM 0 HB3 PHE A 109 9.077 0.665 -8.540 1.00 0.00 H new ATOM 0 HD1 PHE A 109 11.555 1.214 -11.217 1.00 0.00 H new ATOM 0 HD2 PHE A 109 10.880 1.271 -6.974 1.00 0.00 H new ATOM 0 HE1 PHE A 109 13.661 2.486 -10.898 1.00 0.00 H new ATOM 0 HE2 PHE A 109 12.990 2.538 -6.656 1.00 0.00 H new ATOM 0 HZ PHE A 109 14.379 3.147 -8.619 1.00 0.00 H new ATOM 1707 N SER A 110 12.381 -1.511 -9.937 1.00 0.00 N ATOM 1708 CA SER A 110 13.439 -1.851 -10.882 1.00 0.00 C ATOM 1709 C SER A 110 13.415 -3.338 -11.196 1.00 0.00 C ATOM 1710 O SER A 110 12.937 -4.143 -10.398 1.00 0.00 O ATOM 1711 CB SER A 110 14.800 -1.477 -10.298 1.00 0.00 C ATOM 1712 OG SER A 110 14.919 -2.030 -8.994 1.00 0.00 O ATOM 0 H SER A 110 12.703 -1.306 -8.991 1.00 0.00 H new ATOM 0 HA SER A 110 13.271 -1.292 -11.802 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.599 -1.851 -10.938 1.00 0.00 H new ATOM 0 HB3 SER A 110 14.906 -0.393 -10.257 1.00 0.00 H new ATOM 0 HG SER A 110 14.075 -2.459 -8.742 1.00 0.00 H new ATOM 1718 N ALA A 111 13.928 -3.699 -12.370 1.00 0.00 N ATOM 1719 CA ALA A 111 13.950 -5.096 -12.784 1.00 0.00 C ATOM 1720 C ALA A 111 15.246 -5.773 -12.332 1.00 0.00 C ATOM 1721 O ALA A 111 16.181 -5.110 -11.888 1.00 0.00 O ATOM 1722 CB ALA A 111 13.812 -5.194 -14.322 1.00 0.00 C ATOM 0 H ALA A 111 14.330 -3.049 -13.045 1.00 0.00 H new ATOM 0 HA ALA A 111 13.110 -5.608 -12.315 1.00 0.00 H new ATOM 0 HB1 ALA A 111 13.829 -6.242 -14.623 1.00 0.00 H new ATOM 0 HB2 ALA A 111 12.869 -4.743 -14.632 1.00 0.00 H new ATOM 0 HB3 ALA A 111 14.640 -4.667 -14.796 1.00 0.00 H new ATOM 1728 N PRO A 112 15.318 -7.071 -12.459 1.00 0.00 N ATOM 1729 CA PRO A 112 16.535 -7.848 -12.075 1.00 0.00 C ATOM 1730 C PRO A 112 17.806 -7.277 -12.706 1.00 0.00 C ATOM 1731 O PRO A 112 18.878 -7.305 -12.103 1.00 0.00 O ATOM 1732 CB PRO A 112 16.245 -9.262 -12.613 1.00 0.00 C ATOM 1733 CG PRO A 112 14.755 -9.355 -12.685 1.00 0.00 C ATOM 1734 CD PRO A 112 14.248 -7.946 -12.976 1.00 0.00 C ATOM 0 HA PRO A 112 16.716 -7.822 -11.000 1.00 0.00 H new ATOM 0 HB2 PRO A 112 16.697 -9.411 -13.594 1.00 0.00 H new ATOM 0 HB3 PRO A 112 16.656 -10.026 -11.954 1.00 0.00 H new ATOM 0 HG2 PRO A 112 14.447 -10.048 -13.468 1.00 0.00 H new ATOM 0 HG3 PRO A 112 14.344 -9.730 -11.748 1.00 0.00 H new ATOM 0 HD2 PRO A 112 14.086 -7.792 -14.043 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.298 -7.752 -12.478 1.00 0.00 H new ATOM 1742 N ASP A 113 17.677 -6.769 -13.928 1.00 0.00 N ATOM 1743 CA ASP A 113 18.822 -6.204 -14.635 1.00 0.00 C ATOM 1744 C ASP A 113 19.118 -4.799 -14.132 1.00 0.00 C ATOM 1745 O ASP A 113 19.852 -4.044 -14.769 1.00 0.00 O ATOM 1746 CB ASP A 113 18.543 -6.160 -16.138 1.00 0.00 C ATOM 1747 CG ASP A 113 17.276 -5.357 -16.410 1.00 0.00 C ATOM 1748 OD1 ASP A 113 16.817 -4.687 -15.501 1.00 0.00 O ATOM 1749 OD2 ASP A 113 16.784 -5.425 -17.524 1.00 0.00 O ATOM 0 H ASP A 113 16.799 -6.737 -14.446 1.00 0.00 H new ATOM 0 HA ASP A 113 19.688 -6.838 -14.447 1.00 0.00 H new ATOM 0 HB2 ASP A 113 19.388 -5.710 -16.660 1.00 0.00 H new ATOM 0 HB3 ASP A 113 18.432 -7.173 -16.525 1.00 0.00 H new ATOM 1754 N ASP A 114 18.538 -4.449 -12.987 1.00 0.00 N ATOM 1755 CA ASP A 114 18.743 -3.125 -12.403 1.00 0.00 C ATOM 1756 C ASP A 114 20.199 -2.684 -12.556 1.00 0.00 C ATOM 1757 O ASP A 114 20.726 -2.108 -11.615 1.00 0.00 O ATOM 1758 CB ASP A 114 18.371 -3.140 -10.918 1.00 0.00 C ATOM 1759 CG ASP A 114 19.247 -4.141 -10.171 1.00 0.00 C ATOM 1760 OD1 ASP A 114 20.005 -4.839 -10.826 1.00 0.00 O ATOM 1761 OD2 ASP A 114 19.146 -4.195 -8.958 1.00 0.00 O ATOM 0 H ASP A 114 17.925 -5.060 -12.447 1.00 0.00 H new ATOM 0 HA ASP A 114 18.103 -2.419 -12.932 1.00 0.00 H new ATOM 0 HB2 ASP A 114 18.498 -2.144 -10.493 1.00 0.00 H new ATOM 0 HB3 ASP A 114 17.320 -3.405 -10.800 1.00 0.00 H new