USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 672 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 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 60 MET CE :methyl 168:sc= 0 (180deg=-0.199) USER MOD Set 2.1: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 54 THR OG1 : rot 180:sc= -0.32 USER MOD Single : A 26 HIS : no HD1:sc= -5! C(o=-5!,f=-14!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.2) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 48 SER OG : rot -80:sc= 1.23 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -36:sc= -1.59 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 112:sc= 0.0592 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -42:sc= 0.0608 USER MOD Single : A 85 GLN : amide:sc= -0.015 X(o=-0.015,f=-0.005) USER MOD Single : A 93 LYS NZ :NH3+ -136:sc= -0.555 (180deg=-1.29) USER MOD Single : A 95 GLN : amide:sc= -0.0494 X(o=-0.049,f=-0.29) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0.167 (180deg=0.167) USER MOD Single : A 103 GLN : amide:sc=-0.00268 X(o=-0.0027,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= -0.172 USER MOD ----------------------------------------------------------------- ATOM 307 N HIS A 26 1.037 8.395 -5.530 1.00 0.00 N ATOM 308 CA HIS A 26 1.286 8.711 -4.134 1.00 0.00 C ATOM 309 C HIS A 26 2.086 7.580 -3.486 1.00 0.00 C ATOM 310 O HIS A 26 1.817 6.405 -3.731 1.00 0.00 O ATOM 311 CB HIS A 26 -0.025 9.005 -3.402 1.00 0.00 C ATOM 312 CG HIS A 26 0.158 9.651 -2.049 1.00 0.00 C ATOM 313 ND1 HIS A 26 0.649 8.966 -0.952 1.00 0.00 N ATOM 314 CD2 HIS A 26 -0.088 10.925 -1.630 1.00 0.00 C ATOM 315 CE1 HIS A 26 0.691 9.800 0.077 1.00 0.00 C ATOM 316 NE2 HIS A 26 0.234 11.014 -0.345 1.00 0.00 N ATOM 0 HA HIS A 26 1.885 9.619 -4.064 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -0.638 9.657 -4.024 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.576 8.073 -3.277 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.479 11.726 -2.240 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.028 9.561 1.075 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.153 11.852 0.231 1.00 0.00 H new ATOM 324 N PRO A 27 3.081 7.985 -2.652 1.00 0.00 N ATOM 325 CA PRO A 27 3.922 7.018 -1.967 1.00 0.00 C ATOM 326 C PRO A 27 3.170 6.360 -0.808 1.00 0.00 C ATOM 327 O PRO A 27 3.358 5.175 -0.535 1.00 0.00 O ATOM 328 CB PRO A 27 5.139 7.808 -1.513 1.00 0.00 C ATOM 329 CG PRO A 27 4.724 9.270 -1.549 1.00 0.00 C ATOM 330 CD PRO A 27 3.429 9.367 -2.338 1.00 0.00 C ATOM 0 HA PRO A 27 4.218 6.189 -2.609 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.444 7.513 -0.509 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.990 7.627 -2.170 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.585 9.652 -0.538 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.501 9.876 -2.015 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.645 9.850 -1.754 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.561 9.958 -3.245 1.00 0.00 H new ATOM 338 N GLY A 28 2.335 7.157 -0.158 1.00 0.00 N ATOM 339 CA GLY A 28 1.554 6.666 0.964 1.00 0.00 C ATOM 340 C GLY A 28 0.752 5.423 0.573 1.00 0.00 C ATOM 341 O GLY A 28 0.547 4.529 1.392 1.00 0.00 O ATOM 0 H GLY A 28 2.182 8.139 -0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.216 6.429 1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.876 7.447 1.309 1.00 0.00 H new ATOM 345 N VAL A 29 0.318 5.408 -0.679 1.00 0.00 N ATOM 346 CA VAL A 29 -0.457 4.290 -1.189 1.00 0.00 C ATOM 347 C VAL A 29 0.481 3.119 -1.487 1.00 0.00 C ATOM 348 O VAL A 29 0.284 2.017 -0.977 1.00 0.00 O ATOM 349 CB VAL A 29 -1.270 4.730 -2.408 1.00 0.00 C ATOM 350 CG1 VAL A 29 -2.074 3.562 -2.982 1.00 0.00 C ATOM 351 CG2 VAL A 29 -2.185 5.907 -2.062 1.00 0.00 C ATOM 0 H VAL A 29 0.489 6.152 -1.355 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.174 3.950 -0.442 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.570 5.064 -3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.643 3.902 -3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.394 2.766 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.759 3.184 -2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.751 6.200 -2.946 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.874 5.612 -1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.582 6.749 -1.722 1.00 0.00 H new ATOM 361 N LEU A 30 1.479 3.396 -2.312 1.00 0.00 N ATOM 362 CA LEU A 30 2.448 2.379 -2.684 1.00 0.00 C ATOM 363 C LEU A 30 2.908 1.636 -1.429 1.00 0.00 C ATOM 364 O LEU A 30 3.164 0.434 -1.474 1.00 0.00 O ATOM 365 CB LEU A 30 3.594 2.998 -3.487 1.00 0.00 C ATOM 366 CG LEU A 30 3.190 3.786 -4.735 1.00 0.00 C ATOM 367 CD1 LEU A 30 4.158 4.942 -4.991 1.00 0.00 C ATOM 368 CD2 LEU A 30 3.065 2.863 -5.949 1.00 0.00 C ATOM 0 H LEU A 30 1.638 4.311 -2.734 1.00 0.00 H new ATOM 0 HA LEU A 30 1.991 1.641 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.156 3.661 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.272 2.200 -3.789 1.00 0.00 H new ATOM 0 HG LEU A 30 2.207 4.223 -4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.848 5.485 -5.884 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.153 5.617 -4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.164 4.549 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.777 3.448 -6.823 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.023 2.377 -6.137 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.306 2.105 -5.753 1.00 0.00 H new ATOM 380 N LYS A 31 2.998 2.382 -0.338 1.00 0.00 N ATOM 381 CA LYS A 31 3.423 1.808 0.928 1.00 0.00 C ATOM 382 C LYS A 31 2.694 0.482 1.152 1.00 0.00 C ATOM 383 O LYS A 31 3.248 -0.442 1.747 1.00 0.00 O ATOM 384 CB LYS A 31 3.229 2.815 2.064 1.00 0.00 C ATOM 385 CG LYS A 31 4.405 2.770 3.043 1.00 0.00 C ATOM 386 CD LYS A 31 4.488 4.061 3.860 1.00 0.00 C ATOM 387 CE LYS A 31 5.931 4.355 4.274 1.00 0.00 C ATOM 388 NZ LYS A 31 6.098 5.793 4.585 1.00 0.00 N ATOM 0 H LYS A 31 2.784 3.379 -0.304 1.00 0.00 H new ATOM 0 HA LYS A 31 4.490 1.586 0.907 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.132 3.819 1.652 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.302 2.597 2.594 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.292 1.918 3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.335 2.623 2.494 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.097 4.893 3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.861 3.975 4.748 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.195 3.755 5.145 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.611 4.069 3.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.083 5.976 4.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.866 6.359 3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.463 6.055 5.365 1.00 0.00 H new ATOM 402 N VAL A 32 1.464 0.428 0.663 1.00 0.00 N ATOM 403 CA VAL A 32 0.655 -0.770 0.802 1.00 0.00 C ATOM 404 C VAL A 32 1.019 -1.758 -0.308 1.00 0.00 C ATOM 405 O VAL A 32 1.240 -2.939 -0.045 1.00 0.00 O ATOM 406 CB VAL A 32 -0.830 -0.400 0.809 1.00 0.00 C ATOM 407 CG1 VAL A 32 -1.045 0.992 1.404 1.00 0.00 C ATOM 408 CG2 VAL A 32 -1.426 -0.494 -0.597 1.00 0.00 C ATOM 0 H VAL A 32 1.008 1.195 0.170 1.00 0.00 H new ATOM 0 HA VAL A 32 0.859 -1.261 1.754 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.351 -1.119 1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.109 1.230 1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.676 1.010 2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.504 1.729 0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.482 -0.226 -0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.899 0.190 -1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.322 -1.513 -0.969 1.00 0.00 H new ATOM 418 N GLU A 33 1.072 -1.238 -1.526 1.00 0.00 N ATOM 419 CA GLU A 33 1.406 -2.060 -2.677 1.00 0.00 C ATOM 420 C GLU A 33 2.658 -2.891 -2.390 1.00 0.00 C ATOM 421 O GLU A 33 2.733 -4.058 -2.772 1.00 0.00 O ATOM 422 CB GLU A 33 1.593 -1.200 -3.928 1.00 0.00 C ATOM 423 CG GLU A 33 0.275 -0.545 -4.346 1.00 0.00 C ATOM 424 CD GLU A 33 0.097 -0.593 -5.865 1.00 0.00 C ATOM 425 OE1 GLU A 33 -0.467 -1.602 -6.339 1.00 0.00 O ATOM 426 OE2 GLU A 33 0.529 0.382 -6.518 1.00 0.00 O ATOM 0 H GLU A 33 0.889 -0.258 -1.741 1.00 0.00 H new ATOM 0 HA GLU A 33 0.577 -2.742 -2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.341 -0.430 -3.736 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.972 -1.816 -4.744 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.558 -1.055 -3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.256 0.491 -4.006 1.00 0.00 H new ATOM 433 N ALA A 34 3.609 -2.258 -1.719 1.00 0.00 N ATOM 434 CA ALA A 34 4.854 -2.925 -1.377 1.00 0.00 C ATOM 435 C ALA A 34 4.552 -4.133 -0.488 1.00 0.00 C ATOM 436 O ALA A 34 5.259 -5.138 -0.541 1.00 0.00 O ATOM 437 CB ALA A 34 5.799 -1.927 -0.704 1.00 0.00 C ATOM 0 H ALA A 34 3.543 -1.290 -1.403 1.00 0.00 H new ATOM 0 HA ALA A 34 5.353 -3.292 -2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.733 -2.427 -0.447 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.004 -1.103 -1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.334 -1.540 0.202 1.00 0.00 H new ATOM 443 N ILE A 35 3.501 -3.996 0.307 1.00 0.00 N ATOM 444 CA ILE A 35 3.098 -5.064 1.205 1.00 0.00 C ATOM 445 C ILE A 35 2.315 -6.117 0.419 1.00 0.00 C ATOM 446 O ILE A 35 2.710 -7.281 0.371 1.00 0.00 O ATOM 447 CB ILE A 35 2.333 -4.496 2.403 1.00 0.00 C ATOM 448 CG1 ILE A 35 3.186 -3.481 3.167 1.00 0.00 C ATOM 449 CG2 ILE A 35 1.826 -5.618 3.311 1.00 0.00 C ATOM 450 CD1 ILE A 35 2.316 -2.604 4.070 1.00 0.00 C ATOM 0 H ILE A 35 2.916 -3.161 0.348 1.00 0.00 H new ATOM 0 HA ILE A 35 3.973 -5.562 1.622 1.00 0.00 H new ATOM 0 HB ILE A 35 1.458 -3.964 2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.929 -4.004 3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.731 -2.854 2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.286 -5.188 4.154 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.158 -6.269 2.747 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.672 -6.198 3.680 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.946 -1.891 4.602 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.590 -2.064 3.462 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.791 -3.232 4.790 1.00 0.00 H new ATOM 462 N LEU A 36 1.219 -5.671 -0.177 1.00 0.00 N ATOM 463 CA LEU A 36 0.378 -6.561 -0.959 1.00 0.00 C ATOM 464 C LEU A 36 1.252 -7.375 -1.914 1.00 0.00 C ATOM 465 O LEU A 36 0.899 -8.494 -2.283 1.00 0.00 O ATOM 466 CB LEU A 36 -0.730 -5.772 -1.661 1.00 0.00 C ATOM 467 CG LEU A 36 -1.879 -5.293 -0.772 1.00 0.00 C ATOM 468 CD1 LEU A 36 -2.761 -6.465 -0.337 1.00 0.00 C ATOM 469 CD2 LEU A 36 -1.352 -4.498 0.425 1.00 0.00 C ATOM 0 H LEU A 36 0.894 -4.705 -0.134 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.131 -7.272 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.281 -4.902 -2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.145 -6.394 -2.454 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.504 -4.618 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.570 -6.097 0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.180 -6.951 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.162 -7.183 0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.189 -4.169 1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.691 -5.130 1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.800 -3.628 0.069 1.00 0.00 H new ATOM 481 N GLU A 37 2.377 -6.782 -2.286 1.00 0.00 N ATOM 482 CA GLU A 37 3.305 -7.439 -3.191 1.00 0.00 C ATOM 483 C GLU A 37 3.880 -8.699 -2.540 1.00 0.00 C ATOM 484 O GLU A 37 4.500 -9.521 -3.212 1.00 0.00 O ATOM 485 CB GLU A 37 4.422 -6.485 -3.619 1.00 0.00 C ATOM 486 CG GLU A 37 4.376 -6.227 -5.126 1.00 0.00 C ATOM 487 CD GLU A 37 5.779 -6.280 -5.734 1.00 0.00 C ATOM 488 OE1 GLU A 37 6.598 -5.419 -5.346 1.00 0.00 O ATOM 489 OE2 GLU A 37 6.001 -7.179 -6.573 1.00 0.00 O ATOM 0 H GLU A 37 2.667 -5.854 -1.977 1.00 0.00 H new ATOM 0 HA GLU A 37 2.760 -7.733 -4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.325 -5.541 -3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.390 -6.908 -3.348 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.739 -6.970 -5.607 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.929 -5.252 -5.318 1.00 0.00 H new ATOM 496 N LYS A 38 3.653 -8.810 -1.239 1.00 0.00 N ATOM 497 CA LYS A 38 4.140 -9.956 -0.490 1.00 0.00 C ATOM 498 C LYS A 38 2.951 -10.798 -0.024 1.00 0.00 C ATOM 499 O LYS A 38 3.131 -11.898 0.497 1.00 0.00 O ATOM 500 CB LYS A 38 5.056 -9.501 0.648 1.00 0.00 C ATOM 501 CG LYS A 38 6.246 -8.703 0.110 1.00 0.00 C ATOM 502 CD LYS A 38 7.101 -8.155 1.254 1.00 0.00 C ATOM 503 CE LYS A 38 8.243 -9.115 1.594 1.00 0.00 C ATOM 504 NZ LYS A 38 9.539 -8.557 1.148 1.00 0.00 N ATOM 0 H LYS A 38 3.139 -8.125 -0.685 1.00 0.00 H new ATOM 0 HA LYS A 38 4.753 -10.595 -1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.491 -8.889 1.351 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.416 -10.370 1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.855 -9.340 -0.531 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.887 -7.879 -0.507 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.509 -7.184 0.975 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.479 -7.998 2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.268 -9.294 2.669 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.071 -10.079 1.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.303 -9.221 1.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.517 -8.409 0.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.708 -7.648 1.625 1.00 0.00 H new ATOM 518 N VAL A 39 1.763 -10.250 -0.228 1.00 0.00 N ATOM 519 CA VAL A 39 0.544 -10.937 0.165 1.00 0.00 C ATOM 520 C VAL A 39 0.057 -11.806 -0.996 1.00 0.00 C ATOM 521 O VAL A 39 -0.331 -12.956 -0.796 1.00 0.00 O ATOM 522 CB VAL A 39 -0.501 -9.923 0.633 1.00 0.00 C ATOM 523 CG1 VAL A 39 0.156 -8.769 1.393 1.00 0.00 C ATOM 524 CG2 VAL A 39 -1.326 -9.403 -0.546 1.00 0.00 C ATOM 0 H VAL A 39 1.618 -9.338 -0.660 1.00 0.00 H new ATOM 0 HA VAL A 39 0.734 -11.600 1.009 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.179 -10.432 1.318 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.609 -8.063 1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.679 -9.159 2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.867 -8.262 0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.062 -8.684 -0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.667 -8.918 -1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.838 -10.236 -1.027 1.00 0.00 H new ATOM 534 N GLN A 40 0.092 -11.222 -2.185 1.00 0.00 N ATOM 535 CA GLN A 40 -0.342 -11.929 -3.379 1.00 0.00 C ATOM 536 C GLN A 40 0.268 -13.332 -3.416 1.00 0.00 C ATOM 537 O GLN A 40 -0.393 -14.289 -3.814 1.00 0.00 O ATOM 538 CB GLN A 40 0.015 -11.142 -4.642 1.00 0.00 C ATOM 539 CG GLN A 40 -0.618 -9.750 -4.617 1.00 0.00 C ATOM 540 CD GLN A 40 -1.781 -9.659 -5.607 1.00 0.00 C ATOM 541 OE1 GLN A 40 -2.360 -10.651 -6.018 1.00 0.00 O ATOM 542 NE2 GLN A 40 -2.090 -8.416 -5.967 1.00 0.00 N ATOM 0 H GLN A 40 0.414 -10.268 -2.347 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.427 -12.027 -3.346 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.098 -11.052 -4.725 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.327 -11.686 -5.523 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.974 -9.526 -3.611 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.134 -9.000 -4.864 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.565 -7.629 -5.585 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.852 -8.250 -6.625 1.00 0.00 H new ATOM 551 N GLY A 41 1.522 -13.408 -2.996 1.00 0.00 N ATOM 552 CA GLY A 41 2.229 -14.678 -2.976 1.00 0.00 C ATOM 553 C GLY A 41 1.614 -15.632 -1.950 1.00 0.00 C ATOM 554 O GLY A 41 1.688 -16.850 -2.106 1.00 0.00 O ATOM 0 H GLY A 41 2.067 -12.611 -2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.196 -15.132 -3.966 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.279 -14.510 -2.738 1.00 0.00 H new ATOM 558 N LEU A 42 1.020 -15.042 -0.923 1.00 0.00 N ATOM 559 CA LEU A 42 0.392 -15.824 0.128 1.00 0.00 C ATOM 560 C LEU A 42 -1.039 -16.172 -0.286 1.00 0.00 C ATOM 561 O LEU A 42 -1.623 -17.125 0.228 1.00 0.00 O ATOM 562 CB LEU A 42 0.484 -15.091 1.468 1.00 0.00 C ATOM 563 CG LEU A 42 1.896 -14.758 1.955 1.00 0.00 C ATOM 564 CD1 LEU A 42 1.851 -13.853 3.188 1.00 0.00 C ATOM 565 CD2 LEU A 42 2.704 -16.032 2.208 1.00 0.00 C ATOM 0 H LEU A 42 0.960 -14.032 -0.797 1.00 0.00 H new ATOM 0 HA LEU A 42 0.921 -16.767 0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.081 -14.162 1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.007 -15.700 2.227 1.00 0.00 H new ATOM 0 HG LEU A 42 2.407 -14.204 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.867 -13.631 3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.339 -12.924 2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.315 -14.359 3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.703 -15.767 2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.206 -16.634 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.780 -16.604 1.284 1.00 0.00 H new ATOM 577 N GLU A 43 -1.562 -15.380 -1.210 1.00 0.00 N ATOM 578 CA GLU A 43 -2.914 -15.593 -1.699 1.00 0.00 C ATOM 579 C GLU A 43 -2.941 -16.750 -2.699 1.00 0.00 C ATOM 580 O GLU A 43 -3.868 -17.559 -2.693 1.00 0.00 O ATOM 581 CB GLU A 43 -3.478 -14.315 -2.324 1.00 0.00 C ATOM 582 CG GLU A 43 -4.531 -14.642 -3.385 1.00 0.00 C ATOM 583 CD GLU A 43 -3.954 -14.489 -4.794 1.00 0.00 C ATOM 584 OE1 GLU A 43 -2.858 -15.044 -5.022 1.00 0.00 O ATOM 585 OE2 GLU A 43 -4.624 -13.821 -5.611 1.00 0.00 O ATOM 0 H GLU A 43 -1.075 -14.590 -1.633 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.549 -15.856 -0.853 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.920 -13.691 -1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.670 -13.739 -2.774 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.891 -15.661 -3.244 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.390 -13.982 -3.266 1.00 0.00 H new ATOM 592 N GLN A 44 -1.914 -16.792 -3.535 1.00 0.00 N ATOM 593 CA GLN A 44 -1.808 -17.837 -4.539 1.00 0.00 C ATOM 594 C GLN A 44 -1.804 -19.215 -3.874 1.00 0.00 C ATOM 595 O GLN A 44 -2.448 -20.144 -4.358 1.00 0.00 O ATOM 596 CB GLN A 44 -0.561 -17.642 -5.404 1.00 0.00 C ATOM 597 CG GLN A 44 0.663 -18.290 -4.755 1.00 0.00 C ATOM 598 CD GLN A 44 1.944 -17.914 -5.502 1.00 0.00 C ATOM 599 OE1 GLN A 44 1.942 -17.634 -6.689 1.00 0.00 O ATOM 600 NE2 GLN A 44 3.036 -17.922 -4.742 1.00 0.00 N ATOM 0 H GLN A 44 -1.148 -16.119 -3.538 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.678 -17.774 -5.193 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.727 -18.076 -6.390 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.379 -16.577 -5.551 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.738 -17.973 -3.715 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.545 -19.374 -4.750 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.968 -18.166 -3.754 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.941 -17.684 -5.147 1.00 0.00 H new ATOM 609 N ALA A 45 -1.070 -19.303 -2.774 1.00 0.00 N ATOM 610 CA ALA A 45 -0.974 -20.551 -2.037 1.00 0.00 C ATOM 611 C ALA A 45 -2.360 -20.942 -1.520 1.00 0.00 C ATOM 612 O ALA A 45 -2.718 -22.119 -1.523 1.00 0.00 O ATOM 613 CB ALA A 45 0.047 -20.400 -0.907 1.00 0.00 C ATOM 0 H ALA A 45 -0.536 -18.530 -2.376 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.626 -21.354 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.119 -21.337 -0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.021 -20.151 -1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.271 -19.604 -0.233 1.00 0.00 H new ATOM 619 N VAL A 46 -3.102 -19.933 -1.089 1.00 0.00 N ATOM 620 CA VAL A 46 -4.441 -20.156 -0.571 1.00 0.00 C ATOM 621 C VAL A 46 -5.303 -20.802 -1.658 1.00 0.00 C ATOM 622 O VAL A 46 -5.635 -21.983 -1.573 1.00 0.00 O ATOM 623 CB VAL A 46 -5.025 -18.843 -0.047 1.00 0.00 C ATOM 624 CG1 VAL A 46 -6.550 -18.924 0.060 1.00 0.00 C ATOM 625 CG2 VAL A 46 -4.401 -18.464 1.298 1.00 0.00 C ATOM 0 H VAL A 46 -2.801 -18.958 -1.088 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.414 -20.844 0.274 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.781 -18.059 -0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.939 -17.977 0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.974 -19.126 -0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.825 -19.726 0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.833 -17.527 1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.600 -19.250 2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.324 -18.345 1.179 1.00 0.00 H new ATOM 635 N ASP A 47 -5.641 -19.998 -2.656 1.00 0.00 N ATOM 636 CA ASP A 47 -6.458 -20.476 -3.758 1.00 0.00 C ATOM 637 C ASP A 47 -6.011 -21.888 -4.144 1.00 0.00 C ATOM 638 O ASP A 47 -6.812 -22.686 -4.626 1.00 0.00 O ATOM 639 CB ASP A 47 -6.303 -19.579 -4.988 1.00 0.00 C ATOM 640 CG ASP A 47 -7.606 -19.255 -5.720 1.00 0.00 C ATOM 641 OD1 ASP A 47 -8.408 -20.198 -5.896 1.00 0.00 O ATOM 642 OD2 ASP A 47 -7.771 -18.072 -6.088 1.00 0.00 O ATOM 0 H ASP A 47 -5.364 -19.019 -2.724 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.499 -20.468 -3.434 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.834 -18.644 -4.681 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.621 -20.062 -5.688 1.00 0.00 H new ATOM 647 N SER A 48 -4.733 -22.152 -3.916 1.00 0.00 N ATOM 648 CA SER A 48 -4.170 -23.454 -4.233 1.00 0.00 C ATOM 649 C SER A 48 -3.532 -24.066 -2.985 1.00 0.00 C ATOM 650 O SER A 48 -2.402 -24.552 -3.035 1.00 0.00 O ATOM 651 CB SER A 48 -3.139 -23.348 -5.359 1.00 0.00 C ATOM 652 OG SER A 48 -1.957 -22.672 -4.939 1.00 0.00 O ATOM 0 H SER A 48 -4.071 -21.487 -3.516 1.00 0.00 H new ATOM 0 HA SER A 48 -4.977 -24.102 -4.575 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.880 -24.347 -5.709 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.579 -22.818 -6.204 1.00 0.00 H new ATOM 0 HG SER A 48 -2.113 -21.705 -4.947 1.00 0.00 H new ATOM 658 N PHE A 49 -4.282 -24.023 -1.894 1.00 0.00 N ATOM 659 CA PHE A 49 -3.804 -24.568 -0.634 1.00 0.00 C ATOM 660 C PHE A 49 -4.510 -25.884 -0.303 1.00 0.00 C ATOM 661 O PHE A 49 -5.637 -26.115 -0.738 1.00 0.00 O ATOM 662 CB PHE A 49 -4.131 -23.540 0.451 1.00 0.00 C ATOM 663 CG PHE A 49 -4.220 -24.129 1.860 1.00 0.00 C ATOM 664 CD1 PHE A 49 -5.399 -24.635 2.311 1.00 0.00 C ATOM 665 CD2 PHE A 49 -3.121 -24.148 2.660 1.00 0.00 C ATOM 666 CE1 PHE A 49 -5.482 -25.183 3.619 1.00 0.00 C ATOM 667 CE2 PHE A 49 -3.204 -24.695 3.968 1.00 0.00 C ATOM 668 CZ PHE A 49 -4.383 -25.201 4.420 1.00 0.00 C ATOM 0 H PHE A 49 -5.218 -23.619 -1.856 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.734 -24.767 -0.697 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.368 -22.762 0.441 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.079 -23.060 0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.272 -24.620 1.675 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.185 -23.747 2.301 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.418 -25.585 3.977 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.331 -24.709 4.604 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.446 -25.617 5.415 1.00 0.00 H new ATOM 678 N GLU A 50 -3.818 -26.713 0.465 1.00 0.00 N ATOM 679 CA GLU A 50 -4.365 -28.000 0.860 1.00 0.00 C ATOM 680 C GLU A 50 -4.027 -28.294 2.323 1.00 0.00 C ATOM 681 O GLU A 50 -2.877 -28.159 2.738 1.00 0.00 O ATOM 682 CB GLU A 50 -3.856 -29.116 -0.055 1.00 0.00 C ATOM 683 CG GLU A 50 -4.798 -30.321 -0.026 1.00 0.00 C ATOM 684 CD GLU A 50 -4.042 -31.599 0.347 1.00 0.00 C ATOM 685 OE1 GLU A 50 -3.968 -31.880 1.562 1.00 0.00 O ATOM 686 OE2 GLU A 50 -3.557 -32.265 -0.593 1.00 0.00 O ATOM 0 H GLU A 50 -2.883 -26.518 0.824 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.450 -27.958 0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.768 -28.743 -1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.858 -29.422 0.259 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.598 -30.144 0.693 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.268 -30.444 -1.002 1.00 0.00 H new ATOM 693 N GLY A 51 -5.051 -28.689 3.065 1.00 0.00 N ATOM 694 CA GLY A 51 -4.877 -29.003 4.474 1.00 0.00 C ATOM 695 C GLY A 51 -6.155 -28.710 5.262 1.00 0.00 C ATOM 696 O GLY A 51 -7.252 -29.047 4.821 1.00 0.00 O ATOM 0 H GLY A 51 -6.004 -28.799 2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.609 -30.054 4.586 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.052 -28.419 4.881 1.00 0.00 H new ATOM 700 N LYS A 52 -5.969 -28.084 6.416 1.00 0.00 N ATOM 701 CA LYS A 52 -7.094 -27.742 7.270 1.00 0.00 C ATOM 702 C LYS A 52 -6.736 -26.513 8.108 1.00 0.00 C ATOM 703 O LYS A 52 -5.698 -25.889 7.891 1.00 0.00 O ATOM 704 CB LYS A 52 -7.521 -28.951 8.104 1.00 0.00 C ATOM 705 CG LYS A 52 -6.303 -29.724 8.614 1.00 0.00 C ATOM 706 CD LYS A 52 -6.672 -31.171 8.946 1.00 0.00 C ATOM 707 CE LYS A 52 -5.449 -32.085 8.844 1.00 0.00 C ATOM 708 NZ LYS A 52 -4.879 -32.340 10.186 1.00 0.00 N ATOM 0 H LYS A 52 -5.057 -27.805 6.779 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.963 -27.477 6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.125 -28.619 8.948 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.148 -29.609 7.502 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.516 -29.709 7.860 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.902 -29.234 9.502 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.086 -31.223 9.953 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.448 -31.518 8.264 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.731 -33.029 8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.696 -31.625 8.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.050 -32.962 10.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.592 -31.439 10.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.594 -32.799 10.785 1.00 0.00 H new ATOM 722 N LYS A 53 -7.615 -26.201 9.049 1.00 0.00 N ATOM 723 CA LYS A 53 -7.405 -25.058 9.921 1.00 0.00 C ATOM 724 C LYS A 53 -6.562 -25.488 11.124 1.00 0.00 C ATOM 725 O LYS A 53 -6.149 -24.652 11.927 1.00 0.00 O ATOM 726 CB LYS A 53 -8.743 -24.422 10.303 1.00 0.00 C ATOM 727 CG LYS A 53 -9.342 -23.655 9.123 1.00 0.00 C ATOM 728 CD LYS A 53 -10.197 -22.482 9.608 1.00 0.00 C ATOM 729 CE LYS A 53 -11.684 -22.753 9.372 1.00 0.00 C ATOM 730 NZ LYS A 53 -12.253 -23.533 10.494 1.00 0.00 N ATOM 0 H LYS A 53 -8.475 -26.720 9.227 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.846 -24.280 9.401 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.438 -25.196 10.629 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.601 -23.746 11.146 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.542 -23.286 8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.951 -24.328 8.519 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.019 -22.312 10.670 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.902 -21.572 9.086 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.220 -21.809 9.269 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.817 -23.299 8.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.263 -23.708 10.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.753 -24.441 10.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.144 -22.998 11.379 1.00 0.00 H new ATOM 744 N THR A 54 -6.332 -26.789 11.210 1.00 0.00 N ATOM 745 CA THR A 54 -5.546 -27.340 12.301 1.00 0.00 C ATOM 746 C THR A 54 -4.142 -27.705 11.815 1.00 0.00 C ATOM 747 O THR A 54 -3.226 -27.871 12.620 1.00 0.00 O ATOM 748 CB THR A 54 -6.314 -28.527 12.885 1.00 0.00 C ATOM 749 OG1 THR A 54 -6.325 -29.486 11.832 1.00 0.00 O ATOM 750 CG2 THR A 54 -7.793 -28.210 13.116 1.00 0.00 C ATOM 0 H THR A 54 -6.676 -27.479 10.542 1.00 0.00 H new ATOM 0 HA THR A 54 -5.401 -26.606 13.094 1.00 0.00 H new ATOM 0 HB THR A 54 -5.855 -28.828 13.827 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.803 -30.290 12.126 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.292 -29.085 13.531 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.882 -27.377 13.813 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.260 -27.942 12.168 1.00 0.00 H new ATOM 758 N ASP A 55 -4.016 -27.819 10.501 1.00 0.00 N ATOM 759 CA ASP A 55 -2.738 -28.162 9.899 1.00 0.00 C ATOM 760 C ASP A 55 -1.744 -27.024 10.141 1.00 0.00 C ATOM 761 O ASP A 55 -2.142 -25.874 10.316 1.00 0.00 O ATOM 762 CB ASP A 55 -2.876 -28.356 8.388 1.00 0.00 C ATOM 763 CG ASP A 55 -2.059 -29.511 7.807 1.00 0.00 C ATOM 764 OD1 ASP A 55 -1.900 -30.516 8.534 1.00 0.00 O ATOM 765 OD2 ASP A 55 -1.612 -29.365 6.649 1.00 0.00 O ATOM 0 H ASP A 55 -4.777 -27.680 9.836 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.390 -29.091 10.351 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.928 -28.520 8.153 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.578 -27.433 7.890 1.00 0.00 H new ATOM 770 N LYS A 56 -0.469 -27.385 10.142 1.00 0.00 N ATOM 771 CA LYS A 56 0.585 -26.409 10.359 1.00 0.00 C ATOM 772 C LYS A 56 0.730 -25.535 9.112 1.00 0.00 C ATOM 773 O LYS A 56 0.782 -24.310 9.211 1.00 0.00 O ATOM 774 CB LYS A 56 1.882 -27.106 10.776 1.00 0.00 C ATOM 775 CG LYS A 56 3.076 -26.155 10.661 1.00 0.00 C ATOM 776 CD LYS A 56 2.933 -24.976 11.626 1.00 0.00 C ATOM 777 CE LYS A 56 3.568 -25.296 12.981 1.00 0.00 C ATOM 778 NZ LYS A 56 4.865 -24.597 13.122 1.00 0.00 N ATOM 0 H LYS A 56 -0.142 -28.340 9.996 1.00 0.00 H new ATOM 0 HA LYS A 56 0.326 -25.746 11.185 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.794 -27.463 11.802 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.047 -27.981 10.147 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.998 -26.695 10.876 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.154 -25.785 9.639 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.406 -24.092 11.198 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.878 -24.739 11.762 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.896 -24.995 13.785 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.715 -26.372 13.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.283 -24.824 14.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.509 -24.905 12.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.715 -23.570 13.053 1.00 0.00 H new ATOM 792 N LYS A 57 0.790 -26.199 7.967 1.00 0.00 N ATOM 793 CA LYS A 57 0.927 -25.498 6.702 1.00 0.00 C ATOM 794 C LYS A 57 -0.025 -24.301 6.681 1.00 0.00 C ATOM 795 O LYS A 57 0.341 -23.219 6.225 1.00 0.00 O ATOM 796 CB LYS A 57 0.729 -26.462 5.530 1.00 0.00 C ATOM 797 CG LYS A 57 0.573 -25.700 4.213 1.00 0.00 C ATOM 798 CD LYS A 57 1.915 -25.130 3.748 1.00 0.00 C ATOM 799 CE LYS A 57 2.579 -26.055 2.726 1.00 0.00 C ATOM 800 NZ LYS A 57 3.867 -25.484 2.271 1.00 0.00 N ATOM 0 H LYS A 57 0.746 -27.215 7.889 1.00 0.00 H new ATOM 0 HA LYS A 57 1.937 -25.104 6.593 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.581 -27.139 5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.154 -27.077 5.705 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.172 -26.366 3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.146 -24.891 4.340 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.763 -24.145 3.307 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.574 -24.997 4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.746 -27.037 3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.916 -26.199 1.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.305 -26.124 1.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.699 -24.557 1.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.503 -25.369 3.086 1.00 0.00 H new ATOM 814 N TYR A 58 -1.230 -24.535 7.181 1.00 0.00 N ATOM 815 CA TYR A 58 -2.238 -23.489 7.225 1.00 0.00 C ATOM 816 C TYR A 58 -1.794 -22.338 8.131 1.00 0.00 C ATOM 817 O TYR A 58 -1.943 -21.170 7.774 1.00 0.00 O ATOM 818 CB TYR A 58 -3.491 -24.136 7.819 1.00 0.00 C ATOM 819 CG TYR A 58 -4.677 -23.180 7.961 1.00 0.00 C ATOM 820 CD1 TYR A 58 -5.317 -22.703 6.835 1.00 0.00 C ATOM 821 CD2 TYR A 58 -5.107 -22.795 9.214 1.00 0.00 C ATOM 822 CE1 TYR A 58 -6.433 -21.803 6.967 1.00 0.00 C ATOM 823 CE2 TYR A 58 -6.224 -21.896 9.347 1.00 0.00 C ATOM 824 CZ TYR A 58 -6.832 -21.444 8.217 1.00 0.00 C ATOM 825 OH TYR A 58 -7.886 -20.595 8.343 1.00 0.00 O ATOM 0 H TYR A 58 -1.531 -25.433 7.559 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.411 -23.080 6.230 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.787 -24.975 7.190 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.247 -24.544 8.800 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.980 -23.005 5.854 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.606 -23.168 10.095 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.942 -21.422 6.094 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.571 -21.587 10.322 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.865 -19.937 7.617 1.00 0.00 H new ATOM 835 N LEU A 59 -1.259 -22.708 9.285 1.00 0.00 N ATOM 836 CA LEU A 59 -0.793 -21.722 10.244 1.00 0.00 C ATOM 837 C LEU A 59 0.289 -20.856 9.595 1.00 0.00 C ATOM 838 O LEU A 59 0.396 -19.666 9.888 1.00 0.00 O ATOM 839 CB LEU A 59 -0.341 -22.403 11.537 1.00 0.00 C ATOM 840 CG LEU A 59 -1.359 -23.338 12.194 1.00 0.00 C ATOM 841 CD1 LEU A 59 -0.699 -24.194 13.276 1.00 0.00 C ATOM 842 CD2 LEU A 59 -2.555 -22.552 12.736 1.00 0.00 C ATOM 0 H LEU A 59 -1.138 -23.678 9.577 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.607 -21.055 10.530 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.564 -22.973 11.327 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.070 -21.630 12.256 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.739 -24.019 11.432 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.444 -24.849 13.727 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.092 -24.797 12.831 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.274 -23.547 14.043 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.263 -23.240 13.198 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.211 -21.833 13.479 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.044 -22.023 11.918 1.00 0.00 H new ATOM 854 N MET A 60 1.064 -21.488 8.725 1.00 0.00 N ATOM 855 CA MET A 60 2.133 -20.791 8.032 1.00 0.00 C ATOM 856 C MET A 60 1.580 -19.650 7.176 1.00 0.00 C ATOM 857 O MET A 60 2.025 -18.509 7.292 1.00 0.00 O ATOM 858 CB MET A 60 2.892 -21.776 7.141 1.00 0.00 C ATOM 859 CG MET A 60 4.283 -22.068 7.706 1.00 0.00 C ATOM 860 SD MET A 60 4.911 -23.594 7.026 1.00 0.00 S ATOM 861 CE MET A 60 5.088 -23.121 5.314 1.00 0.00 C ATOM 0 H MET A 60 0.972 -22.475 8.485 1.00 0.00 H new ATOM 0 HA MET A 60 2.807 -20.367 8.777 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.328 -22.705 7.057 1.00 0.00 H new ATOM 0 HB3 MET A 60 2.983 -21.366 6.135 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.961 -21.248 7.468 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.236 -22.137 8.793 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.665 -23.879 4.785 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.102 -23.031 4.857 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.605 -22.163 5.253 1.00 0.00 H new ATOM 871 N ILE A 61 0.617 -19.998 6.334 1.00 0.00 N ATOM 872 CA ILE A 61 -0.002 -19.017 5.459 1.00 0.00 C ATOM 873 C ILE A 61 -0.768 -17.997 6.304 1.00 0.00 C ATOM 874 O ILE A 61 -0.745 -16.802 6.012 1.00 0.00 O ATOM 875 CB ILE A 61 -0.864 -19.711 4.402 1.00 0.00 C ATOM 876 CG1 ILE A 61 -0.033 -20.697 3.578 1.00 0.00 C ATOM 877 CG2 ILE A 61 -1.579 -18.687 3.519 1.00 0.00 C ATOM 878 CD1 ILE A 61 -0.921 -21.778 2.958 1.00 0.00 C ATOM 0 H ILE A 61 0.251 -20.945 6.240 1.00 0.00 H new ATOM 0 HA ILE A 61 0.759 -18.466 4.906 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.634 -20.288 4.914 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.498 -20.162 2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.722 -21.161 4.213 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.185 -19.207 2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.222 -18.060 4.137 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.841 -18.064 3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.306 -22.466 2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.432 -22.327 3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.659 -21.312 2.305 1.00 0.00 H new ATOM 890 N GLU A 62 -1.427 -18.506 7.334 1.00 0.00 N ATOM 891 CA GLU A 62 -2.198 -17.654 8.223 1.00 0.00 C ATOM 892 C GLU A 62 -1.300 -16.578 8.839 1.00 0.00 C ATOM 893 O GLU A 62 -1.602 -15.389 8.752 1.00 0.00 O ATOM 894 CB GLU A 62 -2.889 -18.479 9.311 1.00 0.00 C ATOM 895 CG GLU A 62 -4.042 -17.696 9.943 1.00 0.00 C ATOM 896 CD GLU A 62 -3.544 -16.387 10.559 1.00 0.00 C ATOM 897 OE1 GLU A 62 -2.507 -16.446 11.254 1.00 0.00 O ATOM 898 OE2 GLU A 62 -4.211 -15.358 10.320 1.00 0.00 O ATOM 0 H GLU A 62 -1.443 -19.498 7.573 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.975 -17.161 7.638 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.267 -19.408 8.884 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.166 -18.753 10.079 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.798 -17.482 9.187 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.521 -18.304 10.710 1.00 0.00 H new ATOM 905 N GLU A 63 -0.216 -17.035 9.447 1.00 0.00 N ATOM 906 CA GLU A 63 0.728 -16.127 10.077 1.00 0.00 C ATOM 907 C GLU A 63 1.387 -15.233 9.025 1.00 0.00 C ATOM 908 O GLU A 63 1.529 -14.028 9.230 1.00 0.00 O ATOM 909 CB GLU A 63 1.779 -16.898 10.878 1.00 0.00 C ATOM 910 CG GLU A 63 3.057 -17.093 10.059 1.00 0.00 C ATOM 911 CD GLU A 63 4.079 -17.931 10.830 1.00 0.00 C ATOM 912 OE1 GLU A 63 4.160 -17.735 12.062 1.00 0.00 O ATOM 913 OE2 GLU A 63 4.756 -18.749 10.171 1.00 0.00 O ATOM 0 H GLU A 63 0.030 -18.022 9.517 1.00 0.00 H new ATOM 0 HA GLU A 63 0.182 -15.492 10.774 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.010 -16.358 11.796 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.379 -17.869 11.171 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.817 -17.583 9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.488 -16.122 9.814 1.00 0.00 H new ATOM 920 N TYR A 64 1.771 -15.857 7.921 1.00 0.00 N ATOM 921 CA TYR A 64 2.412 -15.132 6.836 1.00 0.00 C ATOM 922 C TYR A 64 1.503 -14.021 6.308 1.00 0.00 C ATOM 923 O TYR A 64 1.985 -12.993 5.834 1.00 0.00 O ATOM 924 CB TYR A 64 2.644 -16.157 5.724 1.00 0.00 C ATOM 925 CG TYR A 64 4.013 -16.838 5.780 1.00 0.00 C ATOM 926 CD1 TYR A 64 5.149 -16.085 5.999 1.00 0.00 C ATOM 927 CD2 TYR A 64 4.111 -18.204 5.613 1.00 0.00 C ATOM 928 CE1 TYR A 64 6.438 -16.726 6.052 1.00 0.00 C ATOM 929 CE2 TYR A 64 5.400 -18.845 5.667 1.00 0.00 C ATOM 930 CZ TYR A 64 6.500 -18.074 5.883 1.00 0.00 C ATOM 931 OH TYR A 64 7.717 -18.679 5.933 1.00 0.00 O ATOM 0 H TYR A 64 1.651 -16.856 7.754 1.00 0.00 H new ATOM 0 HA TYR A 64 3.338 -14.669 7.177 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.868 -16.920 5.780 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.535 -15.662 4.759 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.071 -15.016 6.131 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.222 -18.793 5.442 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.335 -16.149 6.222 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.491 -19.913 5.539 1.00 0.00 H new ATOM 0 HH TYR A 64 7.609 -19.643 5.797 1.00 0.00 H new ATOM 941 N LEU A 65 0.205 -14.264 6.407 1.00 0.00 N ATOM 942 CA LEU A 65 -0.775 -13.296 5.945 1.00 0.00 C ATOM 943 C LEU A 65 -0.820 -12.117 6.919 1.00 0.00 C ATOM 944 O LEU A 65 -0.468 -10.995 6.558 1.00 0.00 O ATOM 945 CB LEU A 65 -2.133 -13.968 5.731 1.00 0.00 C ATOM 946 CG LEU A 65 -2.244 -14.881 4.509 1.00 0.00 C ATOM 947 CD1 LEU A 65 -3.354 -15.918 4.697 1.00 0.00 C ATOM 948 CD2 LEU A 65 -2.434 -14.064 3.229 1.00 0.00 C ATOM 0 H LEU A 65 -0.191 -15.118 6.801 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.486 -12.897 4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.371 -14.553 6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.892 -13.190 5.649 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.307 -15.428 4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.411 -16.554 3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.135 -16.531 5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.307 -15.409 4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.510 -14.738 2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.346 -13.473 3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.581 -13.399 3.092 1.00 0.00 H new ATOM 960 N THR A 66 -1.256 -12.411 8.136 1.00 0.00 N ATOM 961 CA THR A 66 -1.351 -11.390 9.164 1.00 0.00 C ATOM 962 C THR A 66 -0.096 -10.514 9.164 1.00 0.00 C ATOM 963 O THR A 66 -0.190 -9.289 9.217 1.00 0.00 O ATOM 964 CB THR A 66 -1.604 -12.088 10.502 1.00 0.00 C ATOM 965 OG1 THR A 66 -2.992 -12.408 10.469 1.00 0.00 O ATOM 966 CG2 THR A 66 -1.469 -11.137 11.693 1.00 0.00 C ATOM 0 H THR A 66 -1.547 -13.343 8.432 1.00 0.00 H new ATOM 0 HA THR A 66 -2.183 -10.712 8.972 1.00 0.00 H new ATOM 0 HB THR A 66 -0.905 -12.916 10.618 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.102 -13.381 10.422 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.658 -11.683 12.617 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.461 -10.723 11.716 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.192 -10.327 11.595 1.00 0.00 H new ATOM 974 N LYS A 67 1.049 -11.177 9.104 1.00 0.00 N ATOM 975 CA LYS A 67 2.321 -10.475 9.096 1.00 0.00 C ATOM 976 C LYS A 67 2.213 -9.243 8.195 1.00 0.00 C ATOM 977 O LYS A 67 2.708 -8.171 8.541 1.00 0.00 O ATOM 978 CB LYS A 67 3.456 -11.425 8.705 1.00 0.00 C ATOM 979 CG LYS A 67 4.106 -12.042 9.945 1.00 0.00 C ATOM 980 CD LYS A 67 4.667 -13.431 9.636 1.00 0.00 C ATOM 981 CE LYS A 67 5.073 -14.157 10.920 1.00 0.00 C ATOM 982 NZ LYS A 67 6.253 -15.017 10.678 1.00 0.00 N ATOM 0 H LYS A 67 1.123 -12.193 9.060 1.00 0.00 H new ATOM 0 HA LYS A 67 2.565 -10.119 10.097 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.068 -12.215 8.062 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.206 -10.884 8.128 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.906 -11.394 10.301 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.372 -12.113 10.748 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.920 -14.018 9.103 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.530 -13.340 8.977 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.299 -13.430 11.700 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.242 -14.763 11.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.515 -15.502 11.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.025 -15.723 9.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.049 -14.431 10.355 1.00 0.00 H new ATOM 996 N GLU A 68 1.562 -9.437 7.057 1.00 0.00 N ATOM 997 CA GLU A 68 1.383 -8.355 6.104 1.00 0.00 C ATOM 998 C GLU A 68 0.395 -7.323 6.653 1.00 0.00 C ATOM 999 O GLU A 68 0.624 -6.119 6.542 1.00 0.00 O ATOM 1000 CB GLU A 68 0.920 -8.890 4.748 1.00 0.00 C ATOM 1001 CG GLU A 68 1.840 -10.010 4.258 1.00 0.00 C ATOM 1002 CD GLU A 68 3.173 -9.447 3.760 1.00 0.00 C ATOM 1003 OE1 GLU A 68 3.121 -8.462 2.992 1.00 0.00 O ATOM 1004 OE2 GLU A 68 4.212 -10.015 4.159 1.00 0.00 O ATOM 0 H GLU A 68 1.152 -10.327 6.774 1.00 0.00 H new ATOM 0 HA GLU A 68 2.345 -7.865 5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.101 -9.263 4.829 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.907 -8.080 4.019 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.020 -10.718 5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.351 -10.561 3.455 1.00 0.00 H new ATOM 1011 N LEU A 69 -0.682 -7.832 7.232 1.00 0.00 N ATOM 1012 CA LEU A 69 -1.706 -6.970 7.798 1.00 0.00 C ATOM 1013 C LEU A 69 -1.043 -5.909 8.679 1.00 0.00 C ATOM 1014 O LEU A 69 -1.213 -4.712 8.450 1.00 0.00 O ATOM 1015 CB LEU A 69 -2.764 -7.801 8.526 1.00 0.00 C ATOM 1016 CG LEU A 69 -3.731 -8.585 7.637 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.837 -9.236 8.469 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -4.297 -7.697 6.526 1.00 0.00 C ATOM 0 H LEU A 69 -0.868 -8.831 7.322 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.239 -6.441 7.008 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.255 -8.505 9.184 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.346 -7.134 9.162 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.175 -9.390 7.155 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.510 -9.787 7.812 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.393 -9.921 9.191 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.397 -8.464 8.998 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.981 -8.279 5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.832 -6.857 6.969 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.481 -7.322 5.909 1.00 0.00 H new ATOM 1030 N LEU A 70 -0.301 -6.386 9.668 1.00 0.00 N ATOM 1031 CA LEU A 70 0.388 -5.494 10.584 1.00 0.00 C ATOM 1032 C LEU A 70 1.233 -4.501 9.784 1.00 0.00 C ATOM 1033 O LEU A 70 1.383 -3.346 10.181 1.00 0.00 O ATOM 1034 CB LEU A 70 1.190 -6.295 11.611 1.00 0.00 C ATOM 1035 CG LEU A 70 0.378 -6.962 12.723 1.00 0.00 C ATOM 1036 CD1 LEU A 70 -0.238 -5.917 13.655 1.00 0.00 C ATOM 1037 CD2 LEU A 70 -0.678 -7.904 12.142 1.00 0.00 C ATOM 0 H LEU A 70 -0.162 -7.379 9.855 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.331 -4.911 11.159 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.750 -7.067 11.083 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.921 -5.630 12.071 1.00 0.00 H new ATOM 0 HG LEU A 70 1.056 -7.569 13.323 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.810 -6.418 14.436 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.555 -5.323 14.110 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.898 -5.264 13.084 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.241 -8.365 12.954 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.358 -7.339 11.504 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.189 -8.680 11.553 1.00 0.00 H new ATOM 1049 N ALA A 71 1.763 -4.986 8.671 1.00 0.00 N ATOM 1050 CA ALA A 71 2.589 -4.156 7.811 1.00 0.00 C ATOM 1051 C ALA A 71 1.714 -3.096 7.139 1.00 0.00 C ATOM 1052 O ALA A 71 2.204 -2.038 6.748 1.00 0.00 O ATOM 1053 CB ALA A 71 3.319 -5.039 6.796 1.00 0.00 C ATOM 0 H ALA A 71 1.636 -5.944 8.345 1.00 0.00 H new ATOM 0 HA ALA A 71 3.348 -3.635 8.395 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.939 -4.416 6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.949 -5.755 7.323 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.589 -5.576 6.190 1.00 0.00 H new ATOM 1059 N LEU A 72 0.434 -3.417 7.025 1.00 0.00 N ATOM 1060 CA LEU A 72 -0.514 -2.506 6.407 1.00 0.00 C ATOM 1061 C LEU A 72 -0.924 -1.437 7.423 1.00 0.00 C ATOM 1062 O LEU A 72 -0.856 -0.243 7.134 1.00 0.00 O ATOM 1063 CB LEU A 72 -1.696 -3.280 5.819 1.00 0.00 C ATOM 1064 CG LEU A 72 -1.366 -4.237 4.672 1.00 0.00 C ATOM 1065 CD1 LEU A 72 -2.446 -5.311 4.526 1.00 0.00 C ATOM 1066 CD2 LEU A 72 -1.140 -3.471 3.367 1.00 0.00 C ATOM 0 H LEU A 72 0.031 -4.296 7.350 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.052 -1.988 5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.165 -3.852 6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.436 -2.562 5.465 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.434 -4.748 4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.187 -5.978 3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.516 -5.885 5.450 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.405 -4.837 4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.907 -4.175 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.042 -2.916 3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.310 -2.776 3.492 1.00 0.00 H new ATOM 1078 N ASP A 73 -1.340 -1.904 8.591 1.00 0.00 N ATOM 1079 CA ASP A 73 -1.760 -1.003 9.650 1.00 0.00 C ATOM 1080 C ASP A 73 -0.570 -0.147 10.088 1.00 0.00 C ATOM 1081 O ASP A 73 -0.740 0.843 10.798 1.00 0.00 O ATOM 1082 CB ASP A 73 -2.257 -1.781 10.870 1.00 0.00 C ATOM 1083 CG ASP A 73 -3.605 -1.320 11.426 1.00 0.00 C ATOM 1084 OD1 ASP A 73 -4.631 -1.819 10.914 1.00 0.00 O ATOM 1085 OD2 ASP A 73 -3.580 -0.480 12.352 1.00 0.00 O ATOM 0 H ASP A 73 -1.395 -2.895 8.827 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.569 -0.383 9.264 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.332 -2.835 10.604 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.510 -1.704 11.660 1.00 0.00 H new ATOM 1090 N SER A 74 0.609 -0.559 9.645 1.00 0.00 N ATOM 1091 CA SER A 74 1.827 0.158 9.982 1.00 0.00 C ATOM 1092 C SER A 74 1.917 1.450 9.167 1.00 0.00 C ATOM 1093 O SER A 74 2.857 2.226 9.329 1.00 0.00 O ATOM 1094 CB SER A 74 3.063 -0.711 9.738 1.00 0.00 C ATOM 1095 OG SER A 74 4.205 -0.223 10.437 1.00 0.00 O ATOM 0 H SER A 74 0.746 -1.380 9.056 1.00 0.00 H new ATOM 0 HA SER A 74 1.795 0.407 11.043 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.855 -1.734 10.053 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.278 -0.744 8.670 1.00 0.00 H new ATOM 0 HG SER A 74 4.239 0.754 10.366 1.00 0.00 H new ATOM 1101 N VAL A 75 0.925 1.640 8.309 1.00 0.00 N ATOM 1102 CA VAL A 75 0.880 2.824 7.468 1.00 0.00 C ATOM 1103 C VAL A 75 -0.028 3.871 8.117 1.00 0.00 C ATOM 1104 O VAL A 75 -1.151 3.562 8.514 1.00 0.00 O ATOM 1105 CB VAL A 75 0.440 2.445 6.053 1.00 0.00 C ATOM 1106 CG1 VAL A 75 0.451 3.665 5.130 1.00 0.00 C ATOM 1107 CG2 VAL A 75 1.314 1.323 5.489 1.00 0.00 C ATOM 0 H VAL A 75 0.147 0.994 8.178 1.00 0.00 H new ATOM 0 HA VAL A 75 1.872 3.266 7.377 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.584 2.076 6.108 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.134 3.368 4.130 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.232 4.421 5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.459 4.077 5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.980 1.073 4.482 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.352 1.653 5.455 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.233 0.443 6.127 1.00 0.00 H new ATOM 1117 N ASP A 76 0.491 5.086 8.204 1.00 0.00 N ATOM 1118 CA ASP A 76 -0.259 6.180 8.798 1.00 0.00 C ATOM 1119 C ASP A 76 -0.677 7.161 7.701 1.00 0.00 C ATOM 1120 O ASP A 76 0.127 7.976 7.252 1.00 0.00 O ATOM 1121 CB ASP A 76 0.591 6.943 9.815 1.00 0.00 C ATOM 1122 CG ASP A 76 1.009 6.135 11.045 1.00 0.00 C ATOM 1123 OD1 ASP A 76 0.115 5.863 11.876 1.00 0.00 O ATOM 1124 OD2 ASP A 76 2.212 5.807 11.128 1.00 0.00 O ATOM 0 H ASP A 76 1.422 5.338 7.873 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.129 5.758 9.300 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.489 7.306 9.315 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.034 7.819 10.147 1.00 0.00 H new ATOM 1129 N PRO A 77 -1.969 7.046 7.289 1.00 0.00 N ATOM 1130 CA PRO A 77 -2.503 7.913 6.253 1.00 0.00 C ATOM 1131 C PRO A 77 -2.764 9.320 6.795 1.00 0.00 C ATOM 1132 O PRO A 77 -2.835 10.281 6.031 1.00 0.00 O ATOM 1133 CB PRO A 77 -3.767 7.218 5.772 1.00 0.00 C ATOM 1134 CG PRO A 77 -4.143 6.233 6.867 1.00 0.00 C ATOM 1135 CD PRO A 77 -2.950 6.092 7.798 1.00 0.00 C ATOM 0 HA PRO A 77 -1.806 8.061 5.428 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.568 7.938 5.602 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.594 6.704 4.826 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.016 6.587 7.416 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.408 5.267 6.437 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.223 6.317 8.829 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.557 5.075 7.787 1.00 0.00 H new ATOM 1143 N GLU A 78 -2.901 9.396 8.111 1.00 0.00 N ATOM 1144 CA GLU A 78 -3.152 10.669 8.765 1.00 0.00 C ATOM 1145 C GLU A 78 -4.569 11.155 8.453 1.00 0.00 C ATOM 1146 O GLU A 78 -5.395 11.292 9.354 1.00 0.00 O ATOM 1147 CB GLU A 78 -2.112 11.712 8.352 1.00 0.00 C ATOM 1148 CG GLU A 78 -1.118 11.973 9.486 1.00 0.00 C ATOM 1149 CD GLU A 78 -1.057 13.463 9.830 1.00 0.00 C ATOM 1150 OE1 GLU A 78 -0.783 14.249 8.898 1.00 0.00 O ATOM 1151 OE2 GLU A 78 -1.285 13.781 11.017 1.00 0.00 O ATOM 0 H GLU A 78 -2.843 8.597 8.742 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.066 10.525 9.842 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.577 11.367 7.467 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.612 12.642 8.080 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.410 11.404 10.369 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.128 11.623 9.194 1.00 0.00 H new ATOM 1158 N GLY A 79 -4.808 11.402 7.173 1.00 0.00 N ATOM 1159 CA GLY A 79 -6.110 11.870 6.731 1.00 0.00 C ATOM 1160 C GLY A 79 -6.172 11.960 5.205 1.00 0.00 C ATOM 1161 O GLY A 79 -6.838 12.837 4.658 1.00 0.00 O ATOM 0 H GLY A 79 -4.121 11.287 6.428 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.885 11.193 7.091 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.315 12.849 7.165 1.00 0.00 H new ATOM 1165 N ARG A 80 -5.468 11.040 4.561 1.00 0.00 N ATOM 1166 CA ARG A 80 -5.434 11.005 3.109 1.00 0.00 C ATOM 1167 C ARG A 80 -6.346 9.894 2.584 1.00 0.00 C ATOM 1168 O ARG A 80 -6.134 8.719 2.880 1.00 0.00 O ATOM 1169 CB ARG A 80 -4.011 10.771 2.597 1.00 0.00 C ATOM 1170 CG ARG A 80 -3.143 12.013 2.806 1.00 0.00 C ATOM 1171 CD ARG A 80 -2.530 12.483 1.485 1.00 0.00 C ATOM 1172 NE ARG A 80 -1.230 13.144 1.737 1.00 0.00 N ATOM 1173 CZ ARG A 80 -0.647 14.002 0.888 1.00 0.00 C ATOM 1174 NH1 ARG A 80 -1.243 14.306 -0.273 1.00 0.00 N ATOM 1175 NH2 ARG A 80 0.534 14.554 1.199 1.00 0.00 N ATOM 0 H ARG A 80 -4.917 10.314 5.018 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.785 11.971 2.745 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.568 9.922 3.117 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.039 10.516 1.538 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.745 12.813 3.237 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.350 11.791 3.520 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.392 11.634 0.816 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -3.208 13.175 0.986 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.748 12.934 2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.141 13.884 -0.511 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.799 14.959 -0.919 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.989 14.321 2.082 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.978 15.207 0.553 1.00 0.00 H new ATOM 1189 N ALA A 81 -7.343 10.305 1.813 1.00 0.00 N ATOM 1190 CA ALA A 81 -8.288 9.360 1.244 1.00 0.00 C ATOM 1191 C ALA A 81 -7.527 8.315 0.426 1.00 0.00 C ATOM 1192 O ALA A 81 -7.613 7.120 0.706 1.00 0.00 O ATOM 1193 CB ALA A 81 -9.323 10.114 0.408 1.00 0.00 C ATOM 0 H ALA A 81 -7.516 11.280 1.569 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.827 8.834 2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.032 9.405 -0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.856 10.823 1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.820 10.652 -0.395 1.00 0.00 H new ATOM 1199 N ASP A 82 -6.799 8.802 -0.568 1.00 0.00 N ATOM 1200 CA ASP A 82 -6.024 7.925 -1.428 1.00 0.00 C ATOM 1201 C ASP A 82 -5.339 6.855 -0.575 1.00 0.00 C ATOM 1202 O ASP A 82 -5.518 5.661 -0.809 1.00 0.00 O ATOM 1203 CB ASP A 82 -4.937 8.703 -2.172 1.00 0.00 C ATOM 1204 CG ASP A 82 -5.203 8.919 -3.664 1.00 0.00 C ATOM 1205 OD1 ASP A 82 -5.721 7.970 -4.291 1.00 0.00 O ATOM 1206 OD2 ASP A 82 -4.881 10.028 -4.143 1.00 0.00 O ATOM 0 H ASP A 82 -6.730 9.794 -0.797 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.705 7.475 -2.151 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.816 9.676 -1.695 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.991 8.174 -2.060 1.00 0.00 H new ATOM 1211 N VAL A 83 -4.570 7.323 0.398 1.00 0.00 N ATOM 1212 CA VAL A 83 -3.858 6.421 1.287 1.00 0.00 C ATOM 1213 C VAL A 83 -4.868 5.571 2.060 1.00 0.00 C ATOM 1214 O VAL A 83 -4.785 4.343 2.053 1.00 0.00 O ATOM 1215 CB VAL A 83 -2.924 7.217 2.201 1.00 0.00 C ATOM 1216 CG1 VAL A 83 -2.021 6.284 3.010 1.00 0.00 C ATOM 1217 CG2 VAL A 83 -2.094 8.220 1.397 1.00 0.00 C ATOM 0 H VAL A 83 -4.425 8.314 0.590 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.229 5.739 0.715 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.541 7.778 2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.367 6.876 3.651 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.635 5.627 3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.416 5.684 2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.439 8.773 2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.492 7.687 0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.759 8.916 0.886 1.00 0.00 H new ATOM 1227 N ARG A 84 -5.798 6.257 2.708 1.00 0.00 N ATOM 1228 CA ARG A 84 -6.822 5.579 3.484 1.00 0.00 C ATOM 1229 C ARG A 84 -7.353 4.366 2.719 1.00 0.00 C ATOM 1230 O ARG A 84 -7.404 3.261 3.258 1.00 0.00 O ATOM 1231 CB ARG A 84 -7.986 6.521 3.802 1.00 0.00 C ATOM 1232 CG ARG A 84 -7.888 7.050 5.234 1.00 0.00 C ATOM 1233 CD ARG A 84 -8.884 8.187 5.468 1.00 0.00 C ATOM 1234 NE ARG A 84 -8.818 8.636 6.877 1.00 0.00 N ATOM 1235 CZ ARG A 84 -9.438 8.019 7.892 1.00 0.00 C ATOM 1236 NH1 ARG A 84 -10.174 6.924 7.660 1.00 0.00 N ATOM 1237 NH2 ARG A 84 -9.322 8.497 9.138 1.00 0.00 N ATOM 0 H ARG A 84 -5.864 7.275 2.712 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.367 5.252 4.419 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.985 7.356 3.101 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.931 5.995 3.669 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.082 6.241 5.938 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.875 7.404 5.426 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.661 9.020 4.801 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.894 7.851 5.232 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.266 9.467 7.088 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.262 6.560 6.711 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.646 6.454 8.432 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.762 9.331 9.314 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.794 8.027 9.910 1.00 0.00 H new ATOM 1251 N GLN A 85 -7.734 4.612 1.474 1.00 0.00 N ATOM 1252 CA GLN A 85 -8.259 3.552 0.629 1.00 0.00 C ATOM 1253 C GLN A 85 -7.230 2.429 0.485 1.00 0.00 C ATOM 1254 O GLN A 85 -7.518 1.275 0.797 1.00 0.00 O ATOM 1255 CB GLN A 85 -8.671 4.097 -0.740 1.00 0.00 C ATOM 1256 CG GLN A 85 -9.076 2.962 -1.683 1.00 0.00 C ATOM 1257 CD GLN A 85 -10.495 3.170 -2.215 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -10.819 4.184 -2.813 1.00 0.00 O ATOM 1259 NE2 GLN A 85 -11.321 2.158 -1.965 1.00 0.00 N ATOM 0 H GLN A 85 -7.690 5.529 1.030 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.150 3.142 1.104 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.503 4.792 -0.623 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.845 4.659 -1.175 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.376 2.910 -2.516 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.017 2.009 -1.157 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.985 1.338 -1.459 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.290 2.201 -2.279 1.00 0.00 H new ATOM 1268 N ALA A 86 -6.051 2.807 0.012 1.00 0.00 N ATOM 1269 CA ALA A 86 -4.978 1.846 -0.177 1.00 0.00 C ATOM 1270 C ALA A 86 -4.918 0.910 1.032 1.00 0.00 C ATOM 1271 O ALA A 86 -5.004 -0.308 0.883 1.00 0.00 O ATOM 1272 CB ALA A 86 -3.660 2.590 -0.404 1.00 0.00 C ATOM 0 H ALA A 86 -5.816 3.765 -0.246 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.163 1.233 -1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.855 1.869 -0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.745 3.218 -1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.440 3.213 0.463 1.00 0.00 H new ATOM 1278 N ARG A 87 -4.773 1.515 2.202 1.00 0.00 N ATOM 1279 CA ARG A 87 -4.701 0.751 3.436 1.00 0.00 C ATOM 1280 C ARG A 87 -5.888 -0.209 3.535 1.00 0.00 C ATOM 1281 O ARG A 87 -5.707 -1.406 3.750 1.00 0.00 O ATOM 1282 CB ARG A 87 -4.696 1.674 4.656 1.00 0.00 C ATOM 1283 CG ARG A 87 -3.687 1.194 5.701 1.00 0.00 C ATOM 1284 CD ARG A 87 -3.345 2.314 6.686 1.00 0.00 C ATOM 1285 NE ARG A 87 -3.326 1.784 8.068 1.00 0.00 N ATOM 1286 CZ ARG A 87 -4.418 1.390 8.736 1.00 0.00 C ATOM 1287 NH1 ARG A 87 -5.623 1.463 8.154 1.00 0.00 N ATOM 1288 NH2 ARG A 87 -4.306 0.922 9.987 1.00 0.00 N ATOM 0 H ARG A 87 -4.703 2.526 2.321 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.771 0.183 3.421 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.450 2.690 4.347 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.693 1.707 5.096 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.096 0.341 6.242 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.779 0.851 5.205 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.374 2.743 6.439 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.078 3.117 6.606 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.425 1.715 8.541 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.709 1.819 7.202 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.454 1.163 8.663 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.389 0.866 10.430 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.138 0.622 10.496 1.00 0.00 H new ATOM 1302 N ARG A 88 -7.077 0.353 3.375 1.00 0.00 N ATOM 1303 CA ARG A 88 -8.295 -0.437 3.445 1.00 0.00 C ATOM 1304 C ARG A 88 -8.267 -1.548 2.393 1.00 0.00 C ATOM 1305 O ARG A 88 -8.582 -2.699 2.691 1.00 0.00 O ATOM 1306 CB ARG A 88 -9.532 0.435 3.223 1.00 0.00 C ATOM 1307 CG ARG A 88 -10.751 -0.420 2.873 1.00 0.00 C ATOM 1308 CD ARG A 88 -12.040 0.398 2.964 1.00 0.00 C ATOM 1309 NE ARG A 88 -13.112 -0.413 3.582 1.00 0.00 N ATOM 1310 CZ ARG A 88 -13.619 -1.528 3.038 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -13.154 -1.970 1.861 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -14.591 -2.200 3.670 1.00 0.00 N ATOM 0 H ARG A 88 -7.223 1.347 3.197 1.00 0.00 H new ATOM 0 HA ARG A 88 -8.349 -0.876 4.441 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -9.737 1.016 4.122 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -9.340 1.147 2.420 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -10.641 -0.821 1.865 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -10.808 -1.272 3.550 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.868 1.298 3.554 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.346 0.722 1.969 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.489 -0.104 4.478 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -12.415 -1.458 1.380 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.539 -2.819 1.447 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.945 -1.863 4.565 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.977 -3.049 3.256 1.00 0.00 H new ATOM 1326 N ASP A 89 -7.887 -1.163 1.183 1.00 0.00 N ATOM 1327 CA ASP A 89 -7.814 -2.112 0.085 1.00 0.00 C ATOM 1328 C ASP A 89 -6.772 -3.184 0.411 1.00 0.00 C ATOM 1329 O ASP A 89 -7.029 -4.375 0.245 1.00 0.00 O ATOM 1330 CB ASP A 89 -7.392 -1.421 -1.213 1.00 0.00 C ATOM 1331 CG ASP A 89 -8.023 -1.992 -2.485 1.00 0.00 C ATOM 1332 OD1 ASP A 89 -7.603 -3.102 -2.877 1.00 0.00 O ATOM 1333 OD2 ASP A 89 -8.910 -1.305 -3.035 1.00 0.00 O ATOM 0 H ASP A 89 -7.627 -0.207 0.939 1.00 0.00 H new ATOM 0 HA ASP A 89 -8.802 -2.553 -0.046 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.646 -0.363 -1.143 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.308 -1.483 -1.304 1.00 0.00 H new ATOM 1338 N GLY A 90 -5.618 -2.722 0.869 1.00 0.00 N ATOM 1339 CA GLY A 90 -4.536 -3.626 1.220 1.00 0.00 C ATOM 1340 C GLY A 90 -5.010 -4.689 2.213 1.00 0.00 C ATOM 1341 O GLY A 90 -5.021 -5.878 1.897 1.00 0.00 O ATOM 0 H GLY A 90 -5.409 -1.733 1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.154 -4.108 0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.711 -3.061 1.653 1.00 0.00 H new ATOM 1345 N VAL A 91 -5.391 -4.223 3.393 1.00 0.00 N ATOM 1346 CA VAL A 91 -5.864 -5.118 4.434 1.00 0.00 C ATOM 1347 C VAL A 91 -6.997 -5.984 3.880 1.00 0.00 C ATOM 1348 O VAL A 91 -7.016 -7.196 4.089 1.00 0.00 O ATOM 1349 CB VAL A 91 -6.276 -4.314 5.669 1.00 0.00 C ATOM 1350 CG1 VAL A 91 -5.133 -3.415 6.144 1.00 0.00 C ATOM 1351 CG2 VAL A 91 -7.539 -3.496 5.394 1.00 0.00 C ATOM 0 H VAL A 91 -5.382 -3.236 3.651 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.066 -5.790 4.751 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.501 -5.020 6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.452 -2.855 7.023 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.269 -4.029 6.399 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.862 -2.720 5.349 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.810 -2.934 6.288 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.353 -2.804 4.573 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.355 -4.166 5.125 1.00 0.00 H new ATOM 1361 N ARG A 92 -7.914 -5.328 3.183 1.00 0.00 N ATOM 1362 CA ARG A 92 -9.047 -6.023 2.597 1.00 0.00 C ATOM 1363 C ARG A 92 -8.563 -7.125 1.652 1.00 0.00 C ATOM 1364 O ARG A 92 -8.916 -8.291 1.820 1.00 0.00 O ATOM 1365 CB ARG A 92 -9.946 -5.056 1.824 1.00 0.00 C ATOM 1366 CG ARG A 92 -10.751 -5.794 0.752 1.00 0.00 C ATOM 1367 CD ARG A 92 -11.912 -4.933 0.249 1.00 0.00 C ATOM 1368 NE ARG A 92 -13.072 -5.791 -0.080 1.00 0.00 N ATOM 1369 CZ ARG A 92 -14.027 -6.131 0.797 1.00 0.00 C ATOM 1370 NH1 ARG A 92 -13.965 -5.689 2.061 1.00 0.00 N ATOM 1371 NH2 ARG A 92 -15.044 -6.914 0.410 1.00 0.00 N ATOM 0 H ARG A 92 -7.895 -4.323 3.011 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.622 -6.465 3.411 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.625 -4.555 2.514 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.337 -4.281 1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.099 -6.055 -0.082 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.136 -6.728 1.160 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.192 -4.205 1.010 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.603 -4.371 -0.632 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.150 -6.146 -1.033 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.191 -5.094 2.356 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.692 -5.948 2.728 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.091 -7.251 -0.552 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.771 -7.173 1.077 1.00 0.00 H new ATOM 1385 N LYS A 93 -7.764 -6.716 0.678 1.00 0.00 N ATOM 1386 CA LYS A 93 -7.228 -7.654 -0.294 1.00 0.00 C ATOM 1387 C LYS A 93 -6.584 -8.831 0.441 1.00 0.00 C ATOM 1388 O LYS A 93 -6.595 -9.957 -0.055 1.00 0.00 O ATOM 1389 CB LYS A 93 -6.281 -6.940 -1.261 1.00 0.00 C ATOM 1390 CG LYS A 93 -5.180 -7.885 -1.748 1.00 0.00 C ATOM 1391 CD LYS A 93 -5.765 -9.016 -2.598 1.00 0.00 C ATOM 1392 CE LYS A 93 -4.784 -10.185 -2.704 1.00 0.00 C ATOM 1393 NZ LYS A 93 -5.515 -11.470 -2.778 1.00 0.00 N ATOM 0 H LYS A 93 -7.475 -5.748 0.541 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.028 -8.063 -0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.844 -6.562 -2.114 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.833 -6.078 -0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.449 -7.327 -2.333 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -4.651 -8.304 -0.892 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.701 -9.360 -2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.000 -8.643 -3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.159 -10.064 -3.589 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.118 -10.188 -1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.058 -12.166 -2.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.499 -11.327 -2.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.502 -11.821 -3.757 1.00 0.00 H new ATOM 1407 N VAL A 94 -6.039 -8.531 1.610 1.00 0.00 N ATOM 1408 CA VAL A 94 -5.392 -9.551 2.418 1.00 0.00 C ATOM 1409 C VAL A 94 -6.458 -10.368 3.150 1.00 0.00 C ATOM 1410 O VAL A 94 -6.493 -11.592 3.037 1.00 0.00 O ATOM 1411 CB VAL A 94 -4.380 -8.903 3.366 1.00 0.00 C ATOM 1412 CG1 VAL A 94 -3.701 -9.956 4.244 1.00 0.00 C ATOM 1413 CG2 VAL A 94 -3.346 -8.087 2.589 1.00 0.00 C ATOM 0 H VAL A 94 -6.032 -7.596 2.018 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.831 -10.240 1.786 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.922 -8.220 4.020 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.987 -9.470 4.908 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.454 -10.475 4.838 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.178 -10.674 3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.639 -7.637 3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.811 -8.740 1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.851 -7.301 2.027 1.00 0.00 H new ATOM 1423 N GLN A 95 -7.302 -9.658 3.885 1.00 0.00 N ATOM 1424 CA GLN A 95 -8.366 -10.302 4.635 1.00 0.00 C ATOM 1425 C GLN A 95 -8.991 -11.429 3.809 1.00 0.00 C ATOM 1426 O GLN A 95 -9.058 -12.571 4.261 1.00 0.00 O ATOM 1427 CB GLN A 95 -9.426 -9.286 5.066 1.00 0.00 C ATOM 1428 CG GLN A 95 -8.907 -8.401 6.201 1.00 0.00 C ATOM 1429 CD GLN A 95 -10.057 -7.902 7.077 1.00 0.00 C ATOM 1430 OE1 GLN A 95 -10.914 -8.655 7.510 1.00 0.00 O ATOM 1431 NE2 GLN A 95 -10.029 -6.593 7.314 1.00 0.00 N ATOM 0 H GLN A 95 -7.270 -8.643 3.977 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.936 -10.735 5.538 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -9.707 -8.665 4.215 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.326 -9.809 5.390 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -8.199 -8.963 6.810 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -8.366 -7.551 5.786 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -9.283 -6.019 6.921 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.754 -6.163 7.889 1.00 0.00 H new ATOM 1440 N THR A 96 -9.433 -11.068 2.613 1.00 0.00 N ATOM 1441 CA THR A 96 -10.050 -12.034 1.720 1.00 0.00 C ATOM 1442 C THR A 96 -9.243 -13.333 1.701 1.00 0.00 C ATOM 1443 O THR A 96 -9.813 -14.422 1.657 1.00 0.00 O ATOM 1444 CB THR A 96 -10.188 -11.383 0.342 1.00 0.00 C ATOM 1445 OG1 THR A 96 -11.351 -10.568 0.458 1.00 0.00 O ATOM 1446 CG2 THR A 96 -10.548 -12.393 -0.749 1.00 0.00 C ATOM 0 H THR A 96 -9.376 -10.120 2.242 1.00 0.00 H new ATOM 0 HA THR A 96 -11.046 -12.312 2.065 1.00 0.00 H new ATOM 0 HB THR A 96 -9.255 -10.884 0.081 1.00 0.00 H new ATOM 0 HG1 THR A 96 -11.514 -10.107 -0.391 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.634 -11.879 -1.706 1.00 0.00 H new ATOM 0 HG22 THR A 96 -9.769 -13.152 -0.813 1.00 0.00 H new ATOM 0 HG23 THR A 96 -11.498 -12.868 -0.506 1.00 0.00 H new ATOM 1454 N ILE A 97 -7.928 -13.176 1.733 1.00 0.00 N ATOM 1455 CA ILE A 97 -7.036 -14.323 1.720 1.00 0.00 C ATOM 1456 C ILE A 97 -7.303 -15.186 2.954 1.00 0.00 C ATOM 1457 O ILE A 97 -7.509 -16.393 2.840 1.00 0.00 O ATOM 1458 CB ILE A 97 -5.581 -13.869 1.590 1.00 0.00 C ATOM 1459 CG1 ILE A 97 -5.418 -12.870 0.442 1.00 0.00 C ATOM 1460 CG2 ILE A 97 -4.643 -15.069 1.443 1.00 0.00 C ATOM 1461 CD1 ILE A 97 -4.029 -12.228 0.468 1.00 0.00 C ATOM 0 H ILE A 97 -7.458 -12.271 1.768 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.230 -14.946 0.847 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.302 -13.352 2.508 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.571 -13.377 -0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.182 -12.096 0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.615 -14.718 1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.732 -15.710 2.320 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.913 -15.635 0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.939 -11.522 -0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.889 -11.702 1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.268 -13.002 0.368 1.00 0.00 H new ATOM 1473 N LEU A 98 -7.292 -14.533 4.107 1.00 0.00 N ATOM 1474 CA LEU A 98 -7.531 -15.225 5.362 1.00 0.00 C ATOM 1475 C LEU A 98 -8.850 -15.996 5.271 1.00 0.00 C ATOM 1476 O LEU A 98 -8.912 -17.171 5.630 1.00 0.00 O ATOM 1477 CB LEU A 98 -7.472 -14.245 6.535 1.00 0.00 C ATOM 1478 CG LEU A 98 -6.072 -13.881 7.035 1.00 0.00 C ATOM 1479 CD1 LEU A 98 -5.272 -15.137 7.386 1.00 0.00 C ATOM 1480 CD2 LEU A 98 -5.339 -13.000 6.022 1.00 0.00 C ATOM 0 H LEU A 98 -7.121 -13.532 4.198 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.745 -15.957 5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.982 -13.327 6.242 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.034 -14.670 7.367 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.177 -13.299 7.951 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.281 -14.851 7.739 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.790 -15.691 8.169 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.174 -15.765 6.501 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.347 -12.756 6.402 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.244 -13.534 5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.903 -12.081 5.864 1.00 0.00 H new ATOM 1492 N GLU A 99 -9.871 -15.304 4.789 1.00 0.00 N ATOM 1493 CA GLU A 99 -11.185 -15.908 4.647 1.00 0.00 C ATOM 1494 C GLU A 99 -11.124 -17.085 3.670 1.00 0.00 C ATOM 1495 O GLU A 99 -11.839 -18.072 3.838 1.00 0.00 O ATOM 1496 CB GLU A 99 -12.218 -14.874 4.196 1.00 0.00 C ATOM 1497 CG GLU A 99 -13.307 -14.689 5.255 1.00 0.00 C ATOM 1498 CD GLU A 99 -14.500 -15.607 4.982 1.00 0.00 C ATOM 1499 OE1 GLU A 99 -14.297 -16.838 5.053 1.00 0.00 O ATOM 1500 OE2 GLU A 99 -15.588 -15.056 4.708 1.00 0.00 O ATOM 0 H GLU A 99 -9.815 -14.330 4.492 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.498 -16.284 5.621 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -11.725 -13.921 4.006 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -12.670 -15.192 3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -12.898 -14.902 6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -13.638 -13.650 5.264 1.00 0.00 H new ATOM 1507 N LYS A 100 -10.264 -16.941 2.673 1.00 0.00 N ATOM 1508 CA LYS A 100 -10.101 -17.980 1.670 1.00 0.00 C ATOM 1509 C LYS A 100 -9.467 -19.212 2.317 1.00 0.00 C ATOM 1510 O LYS A 100 -10.045 -20.298 2.292 1.00 0.00 O ATOM 1511 CB LYS A 100 -9.320 -17.446 0.467 1.00 0.00 C ATOM 1512 CG LYS A 100 -10.037 -16.252 -0.166 1.00 0.00 C ATOM 1513 CD LYS A 100 -10.557 -16.602 -1.562 1.00 0.00 C ATOM 1514 CE LYS A 100 -9.400 -16.851 -2.531 1.00 0.00 C ATOM 1515 NZ LYS A 100 -9.914 -17.256 -3.859 1.00 0.00 N ATOM 0 H LYS A 100 -9.673 -16.121 2.538 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.071 -18.288 1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.319 -17.149 0.781 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.200 -18.237 -0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -10.868 -15.944 0.469 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -9.354 -15.405 -0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.188 -17.489 -1.507 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.181 -15.790 -1.936 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.798 -15.948 -2.628 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.747 -17.628 -2.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.116 -17.421 -4.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.469 -18.130 -3.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.519 -16.502 -4.242 1.00 0.00 H new ATOM 1529 N LEU A 101 -8.287 -19.004 2.881 1.00 0.00 N ATOM 1530 CA LEU A 101 -7.568 -20.085 3.534 1.00 0.00 C ATOM 1531 C LEU A 101 -8.556 -20.945 4.324 1.00 0.00 C ATOM 1532 O LEU A 101 -8.576 -22.166 4.179 1.00 0.00 O ATOM 1533 CB LEU A 101 -6.421 -19.530 4.381 1.00 0.00 C ATOM 1534 CG LEU A 101 -5.077 -20.248 4.242 1.00 0.00 C ATOM 1535 CD1 LEU A 101 -4.240 -20.096 5.514 1.00 0.00 C ATOM 1536 CD2 LEU A 101 -5.276 -21.716 3.860 1.00 0.00 C ATOM 0 H LEU A 101 -7.810 -18.103 2.900 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.101 -20.735 2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.279 -18.481 4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.721 -19.562 5.428 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.521 -19.777 3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.290 -20.615 5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.053 -19.039 5.703 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.780 -20.525 6.358 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.305 -22.203 3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.861 -22.217 4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.804 -21.776 2.908 1.00 0.00 H new ATOM 1548 N GLU A 102 -9.352 -20.274 5.143 1.00 0.00 N ATOM 1549 CA GLU A 102 -10.340 -20.961 5.957 1.00 0.00 C ATOM 1550 C GLU A 102 -11.024 -22.062 5.143 1.00 0.00 C ATOM 1551 O GLU A 102 -10.709 -23.240 5.298 1.00 0.00 O ATOM 1552 CB GLU A 102 -11.367 -19.977 6.520 1.00 0.00 C ATOM 1553 CG GLU A 102 -10.845 -19.309 7.793 1.00 0.00 C ATOM 1554 CD GLU A 102 -11.876 -19.396 8.921 1.00 0.00 C ATOM 1555 OE1 GLU A 102 -13.079 -19.440 8.587 1.00 0.00 O ATOM 1556 OE2 GLU A 102 -11.436 -19.417 10.091 1.00 0.00 O ATOM 0 H GLU A 102 -9.333 -19.261 5.260 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.829 -21.424 6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.595 -19.217 5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.298 -20.501 6.736 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.918 -19.789 8.106 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.611 -18.264 7.590 1.00 0.00 H new ATOM 1563 N GLN A 103 -11.949 -21.638 4.294 1.00 0.00 N ATOM 1564 CA GLN A 103 -12.680 -22.573 3.456 1.00 0.00 C ATOM 1565 C GLN A 103 -11.713 -23.541 2.771 1.00 0.00 C ATOM 1566 O GLN A 103 -12.026 -24.718 2.599 1.00 0.00 O ATOM 1567 CB GLN A 103 -13.535 -21.832 2.425 1.00 0.00 C ATOM 1568 CG GLN A 103 -14.805 -21.271 3.068 1.00 0.00 C ATOM 1569 CD GLN A 103 -15.928 -21.138 2.037 1.00 0.00 C ATOM 1570 OE1 GLN A 103 -16.464 -22.112 1.535 1.00 0.00 O ATOM 1571 NE2 GLN A 103 -16.254 -19.880 1.751 1.00 0.00 N ATOM 0 H GLN A 103 -12.209 -20.660 4.169 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.352 -23.150 4.091 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -12.957 -21.020 1.984 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.802 -22.510 1.614 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -15.126 -21.925 3.879 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -14.594 -20.297 3.509 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -15.765 -19.110 2.208 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -16.993 -19.686 1.075 1.00 0.00 H new ATOM 1580 N LYS A 104 -10.557 -23.009 2.400 1.00 0.00 N ATOM 1581 CA LYS A 104 -9.543 -23.812 1.739 1.00 0.00 C ATOM 1582 C LYS A 104 -9.065 -24.909 2.693 1.00 0.00 C ATOM 1583 O LYS A 104 -8.696 -25.999 2.256 1.00 0.00 O ATOM 1584 CB LYS A 104 -8.415 -22.922 1.212 1.00 0.00 C ATOM 1585 CG LYS A 104 -8.974 -21.761 0.387 1.00 0.00 C ATOM 1586 CD LYS A 104 -8.754 -21.995 -1.109 1.00 0.00 C ATOM 1587 CE LYS A 104 -9.743 -23.027 -1.654 1.00 0.00 C ATOM 1588 NZ LYS A 104 -10.354 -22.544 -2.913 1.00 0.00 N ATOM 0 H LYS A 104 -10.301 -22.032 2.545 1.00 0.00 H new ATOM 0 HA LYS A 104 -9.962 -24.310 0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.833 -22.532 2.048 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -7.735 -23.514 0.599 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.039 -21.647 0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.492 -20.831 0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.870 -21.055 -1.649 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.734 -22.338 -1.281 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.231 -23.973 -1.831 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.521 -23.219 -0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.023 -23.256 -3.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -10.860 -21.653 -2.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -9.609 -22.383 -3.621 1.00 0.00 H new ATOM 1602 N ALA A 105 -9.086 -24.583 3.977 1.00 0.00 N ATOM 1603 CA ALA A 105 -8.660 -25.528 4.996 1.00 0.00 C ATOM 1604 C ALA A 105 -9.885 -26.036 5.758 1.00 0.00 C ATOM 1605 O ALA A 105 -9.838 -26.202 6.976 1.00 0.00 O ATOM 1606 CB ALA A 105 -7.637 -24.859 5.915 1.00 0.00 C ATOM 0 H ALA A 105 -9.391 -23.678 4.335 1.00 0.00 H new ATOM 0 HA ALA A 105 -8.174 -26.391 4.541 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -7.317 -25.567 6.680 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -6.774 -24.543 5.329 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -8.090 -23.990 6.392 1.00 0.00 H new ATOM 1612 N SER A 106 -10.954 -26.269 5.010 1.00 0.00 N ATOM 1613 CA SER A 106 -12.189 -26.755 5.601 1.00 0.00 C ATOM 1614 C SER A 106 -12.834 -27.795 4.682 1.00 0.00 C ATOM 1615 O SER A 106 -13.983 -28.184 4.890 1.00 0.00 O ATOM 1616 CB SER A 106 -13.162 -25.605 5.866 1.00 0.00 C ATOM 1617 OG SER A 106 -12.957 -25.018 7.148 1.00 0.00 O ATOM 0 H SER A 106 -10.990 -26.130 4.000 1.00 0.00 H new ATOM 0 HA SER A 106 -11.951 -27.221 6.557 1.00 0.00 H new ATOM 0 HB2 SER A 106 -13.042 -24.844 5.095 1.00 0.00 H new ATOM 0 HB3 SER A 106 -14.186 -25.972 5.795 1.00 0.00 H new ATOM 0 HG SER A 106 -13.596 -24.287 7.279 1.00 0.00 H new