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 Single : A 26 HIS : no HD1:sc= -3.15! C(o=-3.1!,f=-12!) 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= -0.356 K(o=-0.36,f=-2.9!) USER MOD Single : A 44 GLN : amide:sc= -1.17 K(o=-1.2,f=-5.7!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 171:sc=-0.00314 (180deg=-0.116) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -155:sc= -0.953 (180deg=-2.89!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 92:sc= 1.34 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0851 X(o=-0.085,f=-0.56) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 8:sc= 0.974 USER MOD ----------------------------------------------------------------- ATOM 307 N HIS A 26 1.865 8.735 -5.239 1.00 0.00 N ATOM 308 CA HIS A 26 2.150 8.974 -3.834 1.00 0.00 C ATOM 309 C HIS A 26 2.821 7.739 -3.229 1.00 0.00 C ATOM 310 O HIS A 26 2.419 6.610 -3.509 1.00 0.00 O ATOM 311 CB HIS A 26 0.881 9.385 -3.085 1.00 0.00 C ATOM 312 CG HIS A 26 1.140 10.003 -1.731 1.00 0.00 C ATOM 313 ND1 HIS A 26 1.586 9.270 -0.645 1.00 0.00 N ATOM 314 CD2 HIS A 26 1.013 11.291 -1.300 1.00 0.00 C ATOM 315 CE1 HIS A 26 1.716 10.089 0.388 1.00 0.00 C ATOM 316 NE2 HIS A 26 1.360 11.341 -0.020 1.00 0.00 N ATOM 0 HA HIS A 26 2.846 9.807 -3.737 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.324 10.095 -3.697 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.246 8.508 -2.957 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.686 12.128 -1.899 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.046 9.814 1.379 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.360 12.178 0.563 1.00 0.00 H new ATOM 324 N PRO A 27 3.859 8.001 -2.391 1.00 0.00 N ATOM 325 CA PRO A 27 4.590 6.925 -1.744 1.00 0.00 C ATOM 326 C PRO A 27 3.774 6.317 -0.601 1.00 0.00 C ATOM 327 O PRO A 27 3.825 5.110 -0.370 1.00 0.00 O ATOM 328 CB PRO A 27 5.890 7.557 -1.276 1.00 0.00 C ATOM 329 CG PRO A 27 5.642 9.057 -1.262 1.00 0.00 C ATOM 330 CD PRO A 27 4.362 9.325 -2.037 1.00 0.00 C ATOM 0 HA PRO A 27 4.789 6.089 -2.415 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.165 7.197 -0.284 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.711 7.303 -1.946 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.551 9.419 -0.238 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.480 9.587 -1.714 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.640 9.874 -1.432 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.556 9.926 -2.926 1.00 0.00 H new ATOM 338 N GLY A 28 3.041 7.182 0.084 1.00 0.00 N ATOM 339 CA GLY A 28 2.215 6.746 1.198 1.00 0.00 C ATOM 340 C GLY A 28 1.294 5.598 0.781 1.00 0.00 C ATOM 341 O GLY A 28 0.994 4.715 1.584 1.00 0.00 O ATOM 0 H GLY A 28 3.002 8.183 -0.110 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.851 6.425 2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.618 7.582 1.562 1.00 0.00 H new ATOM 345 N VAL A 29 0.872 5.646 -0.474 1.00 0.00 N ATOM 346 CA VAL A 29 -0.008 4.620 -1.007 1.00 0.00 C ATOM 347 C VAL A 29 0.810 3.368 -1.329 1.00 0.00 C ATOM 348 O VAL A 29 0.519 2.285 -0.824 1.00 0.00 O ATOM 349 CB VAL A 29 -0.772 5.163 -2.217 1.00 0.00 C ATOM 350 CG1 VAL A 29 -1.846 4.174 -2.675 1.00 0.00 C ATOM 351 CG2 VAL A 29 -1.381 6.532 -1.911 1.00 0.00 C ATOM 0 H VAL A 29 1.123 6.379 -1.137 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.756 4.337 -0.267 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.062 5.288 -3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.374 4.584 -3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.377 3.230 -2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.553 4.003 -1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.918 6.895 -2.787 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.072 6.444 -1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.588 7.234 -1.655 1.00 0.00 H new ATOM 361 N LEU A 30 1.818 3.559 -2.168 1.00 0.00 N ATOM 362 CA LEU A 30 2.680 2.458 -2.563 1.00 0.00 C ATOM 363 C LEU A 30 3.005 1.604 -1.337 1.00 0.00 C ATOM 364 O LEU A 30 3.105 0.382 -1.436 1.00 0.00 O ATOM 365 CB LEU A 30 3.919 2.984 -3.292 1.00 0.00 C ATOM 366 CG LEU A 30 3.655 3.848 -4.526 1.00 0.00 C ATOM 367 CD1 LEU A 30 4.724 4.933 -4.674 1.00 0.00 C ATOM 368 CD2 LEU A 30 3.536 2.986 -5.784 1.00 0.00 C ATOM 0 H LEU A 30 2.057 4.459 -2.585 1.00 0.00 H new ATOM 0 HA LEU A 30 2.169 1.811 -3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.512 3.566 -2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.528 2.132 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 30 2.699 4.354 -4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.513 5.533 -5.559 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.718 5.573 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.704 4.467 -4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.348 3.625 -6.647 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.464 2.434 -5.936 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.711 2.283 -5.667 1.00 0.00 H new ATOM 380 N LYS A 31 3.159 2.280 -0.208 1.00 0.00 N ATOM 381 CA LYS A 31 3.470 1.598 1.037 1.00 0.00 C ATOM 382 C LYS A 31 2.595 0.350 1.162 1.00 0.00 C ATOM 383 O LYS A 31 3.008 -0.646 1.754 1.00 0.00 O ATOM 384 CB LYS A 31 3.343 2.559 2.221 1.00 0.00 C ATOM 385 CG LYS A 31 4.606 2.536 3.084 1.00 0.00 C ATOM 386 CD LYS A 31 4.801 3.871 3.806 1.00 0.00 C ATOM 387 CE LYS A 31 6.166 3.927 4.495 1.00 0.00 C ATOM 388 NZ LYS A 31 6.049 3.512 5.911 1.00 0.00 N ATOM 0 H LYS A 31 3.074 3.293 -0.129 1.00 0.00 H new ATOM 0 HA LYS A 31 4.507 1.262 1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.166 3.571 1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.479 2.284 2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.537 1.730 3.815 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.474 2.326 2.459 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.716 4.690 3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.011 4.008 4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.869 3.276 3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.567 4.939 4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.984 3.556 6.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.394 4.150 6.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.686 2.538 5.959 1.00 0.00 H new ATOM 402 N VAL A 32 1.401 0.444 0.594 1.00 0.00 N ATOM 403 CA VAL A 32 0.464 -0.666 0.635 1.00 0.00 C ATOM 404 C VAL A 32 0.760 -1.620 -0.524 1.00 0.00 C ATOM 405 O VAL A 32 0.819 -2.834 -0.333 1.00 0.00 O ATOM 406 CB VAL A 32 -0.973 -0.138 0.622 1.00 0.00 C ATOM 407 CG1 VAL A 32 -1.068 1.208 1.343 1.00 0.00 C ATOM 408 CG2 VAL A 32 -1.506 -0.034 -0.808 1.00 0.00 C ATOM 0 H VAL A 32 1.061 1.271 0.103 1.00 0.00 H new ATOM 0 HA VAL A 32 0.581 -1.231 1.560 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.598 -0.851 1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.099 1.561 1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.748 1.090 2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.424 1.934 0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.528 0.343 -0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.878 0.648 -1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.492 -1.019 -1.274 1.00 0.00 H new ATOM 418 N GLU A 33 0.938 -1.036 -1.699 1.00 0.00 N ATOM 419 CA GLU A 33 1.226 -1.819 -2.888 1.00 0.00 C ATOM 420 C GLU A 33 2.446 -2.713 -2.652 1.00 0.00 C ATOM 421 O GLU A 33 2.480 -3.856 -3.106 1.00 0.00 O ATOM 422 CB GLU A 33 1.437 -0.914 -4.104 1.00 0.00 C ATOM 423 CG GLU A 33 0.147 -0.175 -4.467 1.00 0.00 C ATOM 424 CD GLU A 33 -0.038 -0.108 -5.984 1.00 0.00 C ATOM 425 OE1 GLU A 33 0.997 -0.147 -6.684 1.00 0.00 O ATOM 426 OE2 GLU A 33 -1.210 -0.020 -6.410 1.00 0.00 O ATOM 0 H GLU A 33 0.888 -0.029 -1.853 1.00 0.00 H new ATOM 0 HA GLU A 33 0.367 -2.456 -3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.226 -0.193 -3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.770 -1.511 -4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.706 -0.681 -4.015 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.173 0.834 -4.055 1.00 0.00 H new ATOM 433 N ALA A 34 3.418 -2.157 -1.944 1.00 0.00 N ATOM 434 CA ALA A 34 4.636 -2.889 -1.642 1.00 0.00 C ATOM 435 C ALA A 34 4.284 -4.157 -0.860 1.00 0.00 C ATOM 436 O ALA A 34 4.948 -5.182 -1.002 1.00 0.00 O ATOM 437 CB ALA A 34 5.602 -1.982 -0.877 1.00 0.00 C ATOM 0 H ALA A 34 3.387 -1.208 -1.571 1.00 0.00 H new ATOM 0 HA ALA A 34 5.136 -3.196 -2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.516 -2.532 -0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.844 -1.112 -1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.136 -1.655 0.052 1.00 0.00 H new ATOM 443 N ILE A 35 3.241 -4.044 -0.051 1.00 0.00 N ATOM 444 CA ILE A 35 2.793 -5.168 0.753 1.00 0.00 C ATOM 445 C ILE A 35 1.886 -6.065 -0.091 1.00 0.00 C ATOM 446 O ILE A 35 2.109 -7.271 -0.181 1.00 0.00 O ATOM 447 CB ILE A 35 2.140 -4.675 2.046 1.00 0.00 C ATOM 448 CG1 ILE A 35 3.178 -4.055 2.984 1.00 0.00 C ATOM 449 CG2 ILE A 35 1.352 -5.797 2.725 1.00 0.00 C ATOM 450 CD1 ILE A 35 2.622 -2.805 3.668 1.00 0.00 C ATOM 0 H ILE A 35 2.693 -3.191 0.065 1.00 0.00 H new ATOM 0 HA ILE A 35 3.642 -5.776 1.064 1.00 0.00 H new ATOM 0 HB ILE A 35 1.428 -3.890 1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.474 -4.785 3.738 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.075 -3.797 2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.898 -5.420 3.641 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.571 -6.152 2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.025 -6.620 2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.380 -2.384 4.329 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.349 -2.068 2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.740 -3.071 4.250 1.00 0.00 H new ATOM 462 N LEU A 36 0.882 -5.440 -0.689 1.00 0.00 N ATOM 463 CA LEU A 36 -0.060 -6.167 -1.524 1.00 0.00 C ATOM 464 C LEU A 36 0.709 -7.101 -2.460 1.00 0.00 C ATOM 465 O LEU A 36 0.264 -8.214 -2.735 1.00 0.00 O ATOM 466 CB LEU A 36 -0.990 -5.195 -2.253 1.00 0.00 C ATOM 467 CG LEU A 36 -2.301 -4.858 -1.539 1.00 0.00 C ATOM 468 CD1 LEU A 36 -3.224 -4.040 -2.444 1.00 0.00 C ATOM 469 CD2 LEU A 36 -2.984 -6.126 -1.020 1.00 0.00 C ATOM 0 H LEU A 36 0.700 -4.439 -0.612 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.708 -6.793 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.447 -4.267 -2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.229 -5.615 -3.230 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.069 -4.239 -0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.148 -3.814 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.729 -3.110 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.453 -4.613 -3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.913 -5.859 -0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.202 -6.790 -1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.323 -6.633 -0.317 1.00 0.00 H new ATOM 481 N GLU A 37 1.850 -6.613 -2.923 1.00 0.00 N ATOM 482 CA GLU A 37 2.686 -7.391 -3.823 1.00 0.00 C ATOM 483 C GLU A 37 3.034 -8.740 -3.191 1.00 0.00 C ATOM 484 O GLU A 37 3.034 -9.766 -3.869 1.00 0.00 O ATOM 485 CB GLU A 37 3.952 -6.619 -4.200 1.00 0.00 C ATOM 486 CG GLU A 37 3.966 -6.286 -5.693 1.00 0.00 C ATOM 487 CD GLU A 37 5.369 -6.457 -6.279 1.00 0.00 C ATOM 488 OE1 GLU A 37 6.312 -5.913 -5.663 1.00 0.00 O ATOM 489 OE2 GLU A 37 5.468 -7.127 -7.330 1.00 0.00 O ATOM 0 H GLU A 37 2.216 -5.689 -2.692 1.00 0.00 H new ATOM 0 HA GLU A 37 2.126 -7.575 -4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.008 -5.699 -3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.832 -7.211 -3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.266 -6.934 -6.220 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.627 -5.261 -5.844 1.00 0.00 H new ATOM 496 N LYS A 38 3.322 -8.695 -1.898 1.00 0.00 N ATOM 497 CA LYS A 38 3.671 -9.901 -1.167 1.00 0.00 C ATOM 498 C LYS A 38 2.404 -10.717 -0.903 1.00 0.00 C ATOM 499 O LYS A 38 2.411 -11.940 -1.034 1.00 0.00 O ATOM 500 CB LYS A 38 4.453 -9.552 0.101 1.00 0.00 C ATOM 501 CG LYS A 38 5.714 -8.752 -0.236 1.00 0.00 C ATOM 502 CD LYS A 38 5.952 -7.645 0.793 1.00 0.00 C ATOM 503 CE LYS A 38 7.307 -7.820 1.483 1.00 0.00 C ATOM 504 NZ LYS A 38 7.304 -7.156 2.805 1.00 0.00 N ATOM 0 H LYS A 38 3.321 -7.842 -1.338 1.00 0.00 H new ATOM 0 HA LYS A 38 4.336 -10.527 -1.761 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.821 -8.974 0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.728 -10.467 0.627 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.576 -9.419 -0.264 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.617 -8.315 -1.230 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.913 -6.673 0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.156 -7.658 1.538 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.527 -8.881 1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.096 -7.399 0.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.230 -7.284 3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.116 -6.141 2.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.564 -7.576 3.403 1.00 0.00 H new ATOM 518 N VAL A 39 1.348 -10.007 -0.535 1.00 0.00 N ATOM 519 CA VAL A 39 0.076 -10.650 -0.251 1.00 0.00 C ATOM 520 C VAL A 39 -0.211 -11.701 -1.326 1.00 0.00 C ATOM 521 O VAL A 39 -0.506 -12.852 -1.011 1.00 0.00 O ATOM 522 CB VAL A 39 -1.028 -9.598 -0.134 1.00 0.00 C ATOM 523 CG1 VAL A 39 -2.410 -10.253 -0.115 1.00 0.00 C ATOM 524 CG2 VAL A 39 -0.820 -8.719 1.101 1.00 0.00 C ATOM 0 H VAL A 39 1.347 -8.993 -0.427 1.00 0.00 H new ATOM 0 HA VAL A 39 0.116 -11.168 0.707 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.974 -8.957 -1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.177 -9.483 -0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.559 -10.815 -1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.480 -10.929 0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.619 -7.980 1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.834 -9.340 1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.141 -8.210 1.028 1.00 0.00 H new ATOM 534 N GLN A 40 -0.114 -11.266 -2.574 1.00 0.00 N ATOM 535 CA GLN A 40 -0.359 -12.154 -3.697 1.00 0.00 C ATOM 536 C GLN A 40 0.379 -13.479 -3.497 1.00 0.00 C ATOM 537 O GLN A 40 -0.188 -14.549 -3.714 1.00 0.00 O ATOM 538 CB GLN A 40 0.047 -11.494 -5.017 1.00 0.00 C ATOM 539 CG GLN A 40 -0.753 -10.213 -5.258 1.00 0.00 C ATOM 540 CD GLN A 40 -1.812 -10.424 -6.343 1.00 0.00 C ATOM 541 OE1 GLN A 40 -1.926 -11.483 -6.938 1.00 0.00 O ATOM 542 NE2 GLN A 40 -2.578 -9.360 -6.565 1.00 0.00 N ATOM 0 H GLN A 40 0.131 -10.310 -2.832 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.428 -12.360 -3.745 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.112 -11.264 -5.000 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.116 -12.189 -5.841 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.234 -9.901 -4.331 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.079 -9.409 -5.554 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.429 -8.504 -6.031 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.315 -9.400 -7.269 1.00 0.00 H new ATOM 551 N GLY A 41 1.633 -13.365 -3.085 1.00 0.00 N ATOM 552 CA GLY A 41 2.455 -14.541 -2.853 1.00 0.00 C ATOM 553 C GLY A 41 1.915 -15.364 -1.682 1.00 0.00 C ATOM 554 O GLY A 41 2.155 -16.568 -1.603 1.00 0.00 O ATOM 0 H GLY A 41 2.100 -12.476 -2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.480 -15.155 -3.753 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.481 -14.237 -2.646 1.00 0.00 H new ATOM 558 N LEU A 42 1.197 -14.682 -0.802 1.00 0.00 N ATOM 559 CA LEU A 42 0.622 -15.335 0.361 1.00 0.00 C ATOM 560 C LEU A 42 -0.787 -15.825 0.021 1.00 0.00 C ATOM 561 O LEU A 42 -1.323 -16.702 0.697 1.00 0.00 O ATOM 562 CB LEU A 42 0.673 -14.408 1.577 1.00 0.00 C ATOM 563 CG LEU A 42 2.046 -13.825 1.918 1.00 0.00 C ATOM 564 CD1 LEU A 42 1.943 -12.812 3.060 1.00 0.00 C ATOM 565 CD2 LEU A 42 3.052 -14.936 2.227 1.00 0.00 C ATOM 0 H LEU A 42 1.000 -13.684 -0.871 1.00 0.00 H new ATOM 0 HA LEU A 42 1.209 -16.212 0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.019 -13.583 1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.308 -14.958 2.444 1.00 0.00 H new ATOM 0 HG LEU A 42 2.416 -13.289 1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.933 -12.413 3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.281 -11.998 2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.542 -13.303 3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.020 -14.495 2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.699 -15.520 3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.155 -15.586 1.358 1.00 0.00 H new ATOM 577 N GLU A 43 -1.346 -15.238 -1.027 1.00 0.00 N ATOM 578 CA GLU A 43 -2.682 -15.604 -1.465 1.00 0.00 C ATOM 579 C GLU A 43 -2.619 -16.792 -2.427 1.00 0.00 C ATOM 580 O GLU A 43 -3.520 -17.628 -2.446 1.00 0.00 O ATOM 581 CB GLU A 43 -3.393 -14.413 -2.111 1.00 0.00 C ATOM 582 CG GLU A 43 -4.496 -14.882 -3.062 1.00 0.00 C ATOM 583 CD GLU A 43 -4.030 -14.814 -4.518 1.00 0.00 C ATOM 584 OE1 GLU A 43 -2.805 -14.941 -4.728 1.00 0.00 O ATOM 585 OE2 GLU A 43 -4.910 -14.636 -5.387 1.00 0.00 O ATOM 0 H GLU A 43 -0.898 -14.512 -1.586 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.261 -15.900 -0.590 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.822 -13.777 -1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.671 -13.806 -2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.783 -15.904 -2.816 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.382 -14.261 -2.931 1.00 0.00 H new ATOM 592 N GLN A 44 -1.545 -16.827 -3.202 1.00 0.00 N ATOM 593 CA GLN A 44 -1.352 -17.899 -4.164 1.00 0.00 C ATOM 594 C GLN A 44 -1.320 -19.253 -3.452 1.00 0.00 C ATOM 595 O GLN A 44 -1.900 -20.225 -3.933 1.00 0.00 O ATOM 596 CB GLN A 44 -0.078 -17.679 -4.982 1.00 0.00 C ATOM 597 CG GLN A 44 1.146 -18.233 -4.250 1.00 0.00 C ATOM 598 CD GLN A 44 2.427 -17.963 -5.041 1.00 0.00 C ATOM 599 OE1 GLN A 44 3.098 -16.960 -4.862 1.00 0.00 O ATOM 600 NE2 GLN A 44 2.728 -18.911 -5.924 1.00 0.00 N ATOM 0 H GLN A 44 -0.800 -16.131 -3.184 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.194 -17.895 -4.856 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.176 -18.165 -5.953 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.058 -16.614 -5.171 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.221 -17.777 -3.263 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.028 -19.306 -4.097 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.123 -19.726 -6.024 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.564 -18.823 -6.502 1.00 0.00 H new ATOM 609 N ALA A 45 -0.636 -19.272 -2.318 1.00 0.00 N ATOM 610 CA ALA A 45 -0.520 -20.490 -1.534 1.00 0.00 C ATOM 611 C ALA A 45 -1.915 -20.954 -1.111 1.00 0.00 C ATOM 612 O ALA A 45 -2.194 -22.151 -1.084 1.00 0.00 O ATOM 613 CB ALA A 45 0.400 -20.243 -0.337 1.00 0.00 C ATOM 0 H ALA A 45 -0.156 -18.463 -1.923 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.073 -21.287 -2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.486 -21.157 0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.387 -19.945 -0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.017 -19.450 0.285 1.00 0.00 H new ATOM 619 N VAL A 46 -2.755 -19.980 -0.790 1.00 0.00 N ATOM 620 CA VAL A 46 -4.115 -20.274 -0.369 1.00 0.00 C ATOM 621 C VAL A 46 -4.851 -20.993 -1.501 1.00 0.00 C ATOM 622 O VAL A 46 -5.124 -22.189 -1.407 1.00 0.00 O ATOM 623 CB VAL A 46 -4.814 -18.987 0.075 1.00 0.00 C ATOM 624 CG1 VAL A 46 -6.334 -19.158 0.066 1.00 0.00 C ATOM 625 CG2 VAL A 46 -4.320 -18.543 1.454 1.00 0.00 C ATOM 0 H VAL A 46 -2.520 -18.988 -0.813 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.112 -20.942 0.493 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.561 -18.204 -0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.807 -18.229 0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.666 -19.406 -0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.614 -19.961 0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.832 -17.626 1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.529 -19.324 2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.246 -18.362 1.415 1.00 0.00 H new ATOM 635 N ASP A 47 -5.150 -20.235 -2.546 1.00 0.00 N ATOM 636 CA ASP A 47 -5.849 -20.785 -3.694 1.00 0.00 C ATOM 637 C ASP A 47 -5.220 -22.128 -4.073 1.00 0.00 C ATOM 638 O ASP A 47 -5.884 -22.987 -4.651 1.00 0.00 O ATOM 639 CB ASP A 47 -5.739 -19.855 -4.904 1.00 0.00 C ATOM 640 CG ASP A 47 -7.048 -19.618 -5.658 1.00 0.00 C ATOM 641 OD1 ASP A 47 -8.067 -19.393 -4.970 1.00 0.00 O ATOM 642 OD2 ASP A 47 -7.001 -19.668 -6.907 1.00 0.00 O ATOM 0 H ASP A 47 -4.921 -19.244 -2.621 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.898 -20.904 -3.424 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.350 -18.893 -4.570 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.008 -20.271 -5.597 1.00 0.00 H new ATOM 647 N SER A 48 -3.948 -22.267 -3.731 1.00 0.00 N ATOM 648 CA SER A 48 -3.223 -23.491 -4.027 1.00 0.00 C ATOM 649 C SER A 48 -2.729 -24.134 -2.730 1.00 0.00 C ATOM 650 O SER A 48 -1.603 -24.625 -2.665 1.00 0.00 O ATOM 651 CB SER A 48 -2.045 -23.220 -4.966 1.00 0.00 C ATOM 652 OG SER A 48 -1.922 -24.223 -5.970 1.00 0.00 O ATOM 0 H SER A 48 -3.401 -21.552 -3.252 1.00 0.00 H new ATOM 0 HA SER A 48 -3.904 -24.178 -4.530 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.175 -22.247 -5.440 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.123 -23.172 -4.387 1.00 0.00 H new ATOM 0 HG SER A 48 -1.160 -24.014 -6.550 1.00 0.00 H new ATOM 658 N PHE A 49 -3.596 -24.111 -1.728 1.00 0.00 N ATOM 659 CA PHE A 49 -3.262 -24.685 -0.436 1.00 0.00 C ATOM 660 C PHE A 49 -3.860 -26.086 -0.288 1.00 0.00 C ATOM 661 O PHE A 49 -4.644 -26.522 -1.129 1.00 0.00 O ATOM 662 CB PHE A 49 -3.867 -23.770 0.631 1.00 0.00 C ATOM 663 CG PHE A 49 -3.922 -24.393 2.027 1.00 0.00 C ATOM 664 CD1 PHE A 49 -2.844 -24.307 2.852 1.00 0.00 C ATOM 665 CD2 PHE A 49 -5.047 -25.033 2.443 1.00 0.00 C ATOM 666 CE1 PHE A 49 -2.895 -24.885 4.148 1.00 0.00 C ATOM 667 CE2 PHE A 49 -5.098 -25.611 3.739 1.00 0.00 C ATOM 668 CZ PHE A 49 -4.020 -25.525 4.564 1.00 0.00 C ATOM 0 H PHE A 49 -4.529 -23.704 -1.785 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.180 -24.768 -0.334 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.285 -22.850 0.678 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.877 -23.494 0.328 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.950 -23.799 2.522 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.902 -25.102 1.787 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.040 -24.816 4.804 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.992 -26.119 4.069 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.058 -25.965 5.550 1.00 0.00 H new ATOM 678 N GLU A 50 -3.467 -26.752 0.788 1.00 0.00 N ATOM 679 CA GLU A 50 -3.954 -28.094 1.057 1.00 0.00 C ATOM 680 C GLU A 50 -3.781 -28.434 2.539 1.00 0.00 C ATOM 681 O GLU A 50 -2.757 -28.110 3.138 1.00 0.00 O ATOM 682 CB GLU A 50 -3.247 -29.122 0.172 1.00 0.00 C ATOM 683 CG GLU A 50 -4.130 -29.526 -1.011 1.00 0.00 C ATOM 684 CD GLU A 50 -3.279 -29.928 -2.217 1.00 0.00 C ATOM 685 OE1 GLU A 50 -2.806 -31.085 -2.218 1.00 0.00 O ATOM 686 OE2 GLU A 50 -3.120 -29.069 -3.112 1.00 0.00 O ATOM 0 H GLU A 50 -2.817 -26.387 1.484 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.017 -28.128 0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.308 -28.707 -0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.997 -30.004 0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.774 -30.357 -0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.783 -28.696 -1.282 1.00 0.00 H new ATOM 693 N GLY A 51 -4.797 -29.084 3.087 1.00 0.00 N ATOM 694 CA GLY A 51 -4.770 -29.472 4.487 1.00 0.00 C ATOM 695 C GLY A 51 -6.037 -29.010 5.209 1.00 0.00 C ATOM 696 O GLY A 51 -7.124 -29.023 4.633 1.00 0.00 O ATOM 0 H GLY A 51 -5.644 -29.352 2.587 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.677 -30.555 4.566 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.894 -29.040 4.971 1.00 0.00 H new ATOM 700 N LYS A 52 -5.855 -28.612 6.459 1.00 0.00 N ATOM 701 CA LYS A 52 -6.971 -28.146 7.266 1.00 0.00 C ATOM 702 C LYS A 52 -6.496 -27.014 8.179 1.00 0.00 C ATOM 703 O LYS A 52 -5.344 -26.591 8.102 1.00 0.00 O ATOM 704 CB LYS A 52 -7.613 -29.314 8.018 1.00 0.00 C ATOM 705 CG LYS A 52 -6.548 -30.272 8.556 1.00 0.00 C ATOM 706 CD LYS A 52 -6.621 -31.627 7.847 1.00 0.00 C ATOM 707 CE LYS A 52 -5.369 -32.460 8.128 1.00 0.00 C ATOM 708 NZ LYS A 52 -5.138 -33.433 7.036 1.00 0.00 N ATOM 0 H LYS A 52 -4.952 -28.602 6.933 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.756 -27.736 6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.215 -28.933 8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.288 -29.852 7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.558 -29.837 8.416 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.687 -30.411 9.628 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.506 -32.169 8.181 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.727 -31.474 6.773 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.504 -31.805 8.228 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.481 -32.987 9.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.284 -33.990 7.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.957 -34.069 6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.010 -32.924 6.138 1.00 0.00 H new ATOM 722 N LYS A 53 -7.409 -26.556 9.023 1.00 0.00 N ATOM 723 CA LYS A 53 -7.098 -25.481 9.950 1.00 0.00 C ATOM 724 C LYS A 53 -6.176 -26.012 11.050 1.00 0.00 C ATOM 725 O LYS A 53 -5.701 -25.248 11.889 1.00 0.00 O ATOM 726 CB LYS A 53 -8.383 -24.842 10.480 1.00 0.00 C ATOM 727 CG LYS A 53 -9.180 -24.193 9.347 1.00 0.00 C ATOM 728 CD LYS A 53 -10.240 -23.237 9.900 1.00 0.00 C ATOM 729 CE LYS A 53 -11.645 -23.673 9.479 1.00 0.00 C ATOM 730 NZ LYS A 53 -12.249 -24.543 10.512 1.00 0.00 N ATOM 0 H LYS A 53 -8.364 -26.910 9.084 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.559 -24.682 9.440 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.994 -25.599 10.972 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.137 -24.093 11.232 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.504 -23.650 8.687 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.660 -24.966 8.746 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.175 -23.207 10.988 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.046 -22.226 9.541 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.273 -22.796 9.322 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.598 -24.205 8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.202 -24.830 10.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.658 -25.389 10.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.312 -24.023 11.410 1.00 0.00 H new ATOM 744 N THR A 54 -5.951 -27.317 11.010 1.00 0.00 N ATOM 745 CA THR A 54 -5.095 -27.959 11.993 1.00 0.00 C ATOM 746 C THR A 54 -3.652 -28.015 11.487 1.00 0.00 C ATOM 747 O THR A 54 -2.731 -27.580 12.176 1.00 0.00 O ATOM 748 CB THR A 54 -5.683 -29.336 12.305 1.00 0.00 C ATOM 749 OG1 THR A 54 -5.786 -29.355 13.726 1.00 0.00 O ATOM 750 CG2 THR A 54 -4.712 -30.474 11.987 1.00 0.00 C ATOM 0 H THR A 54 -6.347 -27.947 10.312 1.00 0.00 H new ATOM 0 HA THR A 54 -5.060 -27.387 12.920 1.00 0.00 H new ATOM 0 HB THR A 54 -6.603 -29.475 11.737 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.161 -30.213 14.015 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.180 -31.429 12.227 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.458 -30.450 10.927 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.805 -30.355 12.580 1.00 0.00 H new ATOM 758 N ASP A 55 -3.500 -28.555 10.286 1.00 0.00 N ATOM 759 CA ASP A 55 -2.185 -28.675 9.680 1.00 0.00 C ATOM 760 C ASP A 55 -1.371 -27.416 9.986 1.00 0.00 C ATOM 761 O ASP A 55 -1.841 -26.300 9.769 1.00 0.00 O ATOM 762 CB ASP A 55 -2.290 -28.812 8.160 1.00 0.00 C ATOM 763 CG ASP A 55 -2.850 -30.148 7.668 1.00 0.00 C ATOM 764 OD1 ASP A 55 -2.234 -31.181 8.007 1.00 0.00 O ATOM 765 OD2 ASP A 55 -3.882 -30.106 6.965 1.00 0.00 O ATOM 0 H ASP A 55 -4.266 -28.914 9.717 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.704 -29.563 10.090 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.922 -28.009 7.781 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.299 -28.669 7.728 1.00 0.00 H new ATOM 770 N LYS A 56 -0.164 -27.637 10.486 1.00 0.00 N ATOM 771 CA LYS A 56 0.720 -26.535 10.824 1.00 0.00 C ATOM 772 C LYS A 56 0.908 -25.642 9.595 1.00 0.00 C ATOM 773 O LYS A 56 1.266 -24.472 9.723 1.00 0.00 O ATOM 774 CB LYS A 56 2.032 -27.060 11.409 1.00 0.00 C ATOM 775 CG LYS A 56 2.789 -25.950 12.141 1.00 0.00 C ATOM 776 CD LYS A 56 3.816 -25.287 11.220 1.00 0.00 C ATOM 777 CE LYS A 56 4.475 -24.089 11.906 1.00 0.00 C ATOM 778 NZ LYS A 56 5.277 -24.534 13.068 1.00 0.00 N ATOM 0 H LYS A 56 0.222 -28.564 10.665 1.00 0.00 H new ATOM 0 HA LYS A 56 0.276 -25.916 11.604 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.825 -27.879 12.098 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.654 -27.464 10.611 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.084 -25.202 12.503 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.292 -26.363 13.015 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.578 -26.013 10.937 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.329 -24.962 10.301 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.113 -23.562 11.197 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.711 -23.384 12.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.837 -23.736 13.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.642 -24.879 13.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.916 -25.301 12.776 1.00 0.00 H new ATOM 792 N LYS A 57 0.657 -26.228 8.434 1.00 0.00 N ATOM 793 CA LYS A 57 0.794 -25.500 7.184 1.00 0.00 C ATOM 794 C LYS A 57 -0.122 -24.275 7.209 1.00 0.00 C ATOM 795 O LYS A 57 0.338 -23.148 7.032 1.00 0.00 O ATOM 796 CB LYS A 57 0.546 -26.429 5.993 1.00 0.00 C ATOM 797 CG LYS A 57 0.812 -25.708 4.670 1.00 0.00 C ATOM 798 CD LYS A 57 0.401 -26.577 3.480 1.00 0.00 C ATOM 799 CE LYS A 57 1.619 -27.253 2.848 1.00 0.00 C ATOM 800 NZ LYS A 57 1.196 -28.223 1.814 1.00 0.00 N ATOM 0 H LYS A 57 0.360 -27.198 8.332 1.00 0.00 H new ATOM 0 HA LYS A 57 1.814 -25.134 7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.191 -27.305 6.070 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.483 -26.788 6.015 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.260 -24.768 4.646 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.870 -25.458 4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.311 -27.335 3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.106 -25.964 2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.270 -26.500 2.404 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.199 -27.763 3.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.035 -28.672 1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.593 -28.951 2.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.662 -27.728 1.071 1.00 0.00 H new ATOM 814 N TYR A 58 -1.402 -24.537 7.430 1.00 0.00 N ATOM 815 CA TYR A 58 -2.387 -23.470 7.480 1.00 0.00 C ATOM 816 C TYR A 58 -1.947 -22.363 8.441 1.00 0.00 C ATOM 817 O TYR A 58 -2.010 -21.182 8.103 1.00 0.00 O ATOM 818 CB TYR A 58 -3.673 -24.107 8.010 1.00 0.00 C ATOM 819 CG TYR A 58 -4.855 -23.140 8.100 1.00 0.00 C ATOM 820 CD1 TYR A 58 -5.444 -22.661 6.948 1.00 0.00 C ATOM 821 CD2 TYR A 58 -5.333 -22.747 9.334 1.00 0.00 C ATOM 822 CE1 TYR A 58 -6.557 -21.751 7.033 1.00 0.00 C ATOM 823 CE2 TYR A 58 -6.445 -21.837 9.419 1.00 0.00 C ATOM 824 CZ TYR A 58 -7.002 -21.384 8.264 1.00 0.00 C ATOM 825 OH TYR A 58 -8.054 -20.525 8.344 1.00 0.00 O ATOM 0 H TYR A 58 -1.780 -25.473 7.576 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.518 -23.022 6.495 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.947 -24.940 7.363 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.480 -24.522 8.999 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.070 -22.968 5.982 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.872 -23.122 10.236 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.027 -21.369 6.139 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.828 -21.521 10.378 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.264 -20.352 9.285 1.00 0.00 H new ATOM 835 N LEU A 59 -1.511 -22.784 9.618 1.00 0.00 N ATOM 836 CA LEU A 59 -1.060 -21.843 10.630 1.00 0.00 C ATOM 837 C LEU A 59 0.052 -20.969 10.048 1.00 0.00 C ATOM 838 O LEU A 59 0.000 -19.744 10.148 1.00 0.00 O ATOM 839 CB LEU A 59 -0.656 -22.583 11.907 1.00 0.00 C ATOM 840 CG LEU A 59 -1.797 -23.219 12.703 1.00 0.00 C ATOM 841 CD1 LEU A 59 -2.468 -24.337 11.902 1.00 0.00 C ATOM 842 CD2 LEU A 59 -1.308 -23.707 14.069 1.00 0.00 C ATOM 0 H LEU A 59 -1.460 -23.764 9.895 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.872 -21.176 10.919 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.055 -23.365 11.640 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.131 -21.884 12.558 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.553 -22.455 12.886 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.275 -24.772 12.491 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.873 -23.929 10.976 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.734 -25.108 11.668 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.139 -24.155 14.614 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.523 -24.450 13.930 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.914 -22.864 14.637 1.00 0.00 H new ATOM 854 N MET A 60 1.032 -21.632 9.452 1.00 0.00 N ATOM 855 CA MET A 60 2.155 -20.930 8.854 1.00 0.00 C ATOM 856 C MET A 60 1.672 -19.818 7.920 1.00 0.00 C ATOM 857 O MET A 60 1.999 -18.649 8.120 1.00 0.00 O ATOM 858 CB MET A 60 3.015 -21.921 8.066 1.00 0.00 C ATOM 859 CG MET A 60 4.351 -22.167 8.770 1.00 0.00 C ATOM 860 SD MET A 60 5.659 -22.311 7.564 1.00 0.00 S ATOM 861 CE MET A 60 4.776 -23.124 6.244 1.00 0.00 C ATOM 0 H MET A 60 1.072 -22.648 9.370 1.00 0.00 H new ATOM 0 HA MET A 60 2.744 -20.478 9.652 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.480 -22.864 7.954 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.194 -21.535 7.062 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.566 -21.348 9.456 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.294 -23.077 9.368 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.480 -23.678 5.623 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.044 -23.813 6.666 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.264 -22.379 5.636 1.00 0.00 H new ATOM 871 N ILE A 61 0.902 -20.222 6.920 1.00 0.00 N ATOM 872 CA ILE A 61 0.370 -19.274 5.956 1.00 0.00 C ATOM 873 C ILE A 61 -0.339 -18.140 6.698 1.00 0.00 C ATOM 874 O ILE A 61 0.026 -16.974 6.554 1.00 0.00 O ATOM 875 CB ILE A 61 -0.516 -19.989 4.934 1.00 0.00 C ATOM 876 CG1 ILE A 61 0.258 -21.096 4.216 1.00 0.00 C ATOM 877 CG2 ILE A 61 -1.135 -18.993 3.952 1.00 0.00 C ATOM 878 CD1 ILE A 61 -0.671 -21.934 3.336 1.00 0.00 C ATOM 0 H ILE A 61 0.634 -21.193 6.757 1.00 0.00 H new ATOM 0 HA ILE A 61 1.179 -18.822 5.382 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.337 -20.466 5.469 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.045 -20.656 3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.746 -21.738 4.950 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.760 -19.528 3.237 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.744 -18.273 4.499 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.343 -18.467 3.419 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.095 -22.713 2.837 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.442 -22.393 3.955 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.139 -21.294 2.588 1.00 0.00 H new ATOM 890 N GLU A 62 -1.341 -18.522 7.477 1.00 0.00 N ATOM 891 CA GLU A 62 -2.105 -17.551 8.243 1.00 0.00 C ATOM 892 C GLU A 62 -1.184 -16.453 8.777 1.00 0.00 C ATOM 893 O GLU A 62 -1.495 -15.268 8.664 1.00 0.00 O ATOM 894 CB GLU A 62 -2.868 -18.230 9.383 1.00 0.00 C ATOM 895 CG GLU A 62 -3.964 -17.315 9.930 1.00 0.00 C ATOM 896 CD GLU A 62 -3.389 -15.962 10.355 1.00 0.00 C ATOM 897 OE1 GLU A 62 -2.653 -15.951 11.365 1.00 0.00 O ATOM 898 OE2 GLU A 62 -3.697 -14.971 9.659 1.00 0.00 O ATOM 0 H GLU A 62 -1.641 -19.490 7.594 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.839 -17.092 7.581 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.310 -19.160 9.026 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.176 -18.493 10.183 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.731 -17.165 9.170 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.449 -17.792 10.782 1.00 0.00 H new ATOM 905 N GLU A 63 -0.069 -16.885 9.348 1.00 0.00 N ATOM 906 CA GLU A 63 0.899 -15.953 9.900 1.00 0.00 C ATOM 907 C GLU A 63 1.432 -15.029 8.802 1.00 0.00 C ATOM 908 O GLU A 63 1.395 -13.808 8.942 1.00 0.00 O ATOM 909 CB GLU A 63 2.042 -16.696 10.594 1.00 0.00 C ATOM 910 CG GLU A 63 3.360 -16.501 9.841 1.00 0.00 C ATOM 911 CD GLU A 63 4.544 -17.002 10.670 1.00 0.00 C ATOM 912 OE1 GLU A 63 4.299 -17.850 11.555 1.00 0.00 O ATOM 913 OE2 GLU A 63 5.668 -16.525 10.400 1.00 0.00 O ATOM 0 H GLU A 63 0.185 -17.868 9.440 1.00 0.00 H new ATOM 0 HA GLU A 63 0.398 -15.342 10.651 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.147 -16.335 11.617 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.807 -17.759 10.653 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.323 -17.036 8.892 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.496 -15.445 9.607 1.00 0.00 H new ATOM 920 N TYR A 64 1.915 -15.648 7.735 1.00 0.00 N ATOM 921 CA TYR A 64 2.454 -14.897 6.614 1.00 0.00 C ATOM 922 C TYR A 64 1.458 -13.841 6.132 1.00 0.00 C ATOM 923 O TYR A 64 1.840 -12.708 5.841 1.00 0.00 O ATOM 924 CB TYR A 64 2.683 -15.915 5.495 1.00 0.00 C ATOM 925 CG TYR A 64 3.986 -16.705 5.629 1.00 0.00 C ATOM 926 CD1 TYR A 64 5.196 -16.086 5.390 1.00 0.00 C ATOM 927 CD2 TYR A 64 3.952 -18.037 5.989 1.00 0.00 C ATOM 928 CE1 TYR A 64 6.422 -16.829 5.516 1.00 0.00 C ATOM 929 CE2 TYR A 64 5.178 -18.781 6.115 1.00 0.00 C ATOM 930 CZ TYR A 64 6.353 -18.140 5.872 1.00 0.00 C ATOM 931 OH TYR A 64 7.512 -18.843 5.991 1.00 0.00 O ATOM 0 H TYR A 64 1.944 -16.661 7.623 1.00 0.00 H new ATOM 0 HA TYR A 64 3.370 -14.381 6.903 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.847 -16.614 5.477 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.683 -15.393 4.538 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.223 -15.044 5.108 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.005 -18.521 6.176 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.375 -16.356 5.332 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.165 -19.824 6.396 1.00 0.00 H new ATOM 0 HH TYR A 64 7.310 -19.766 6.252 1.00 0.00 H new ATOM 941 N LEU A 65 0.200 -14.249 6.061 1.00 0.00 N ATOM 942 CA LEU A 65 -0.854 -13.352 5.618 1.00 0.00 C ATOM 943 C LEU A 65 -0.933 -12.156 6.569 1.00 0.00 C ATOM 944 O LEU A 65 -0.516 -11.053 6.219 1.00 0.00 O ATOM 945 CB LEU A 65 -2.176 -14.109 5.472 1.00 0.00 C ATOM 946 CG LEU A 65 -2.350 -14.912 4.181 1.00 0.00 C ATOM 947 CD1 LEU A 65 -1.439 -16.140 4.172 1.00 0.00 C ATOM 948 CD2 LEU A 65 -3.818 -15.285 3.962 1.00 0.00 C ATOM 0 H LEU A 65 -0.114 -15.189 6.303 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.627 -12.958 4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.277 -14.790 6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.993 -13.391 5.543 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.049 -14.283 3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.583 -16.693 3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.399 -15.822 4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.685 -16.782 5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.915 -15.855 3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.169 -15.889 4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.418 -14.377 3.893 1.00 0.00 H new ATOM 960 N THR A 66 -1.470 -12.415 7.752 1.00 0.00 N ATOM 961 CA THR A 66 -1.608 -11.373 8.755 1.00 0.00 C ATOM 962 C THR A 66 -0.370 -10.474 8.765 1.00 0.00 C ATOM 963 O THR A 66 -0.485 -9.254 8.866 1.00 0.00 O ATOM 964 CB THR A 66 -1.880 -12.047 10.102 1.00 0.00 C ATOM 965 OG1 THR A 66 -3.269 -12.359 10.060 1.00 0.00 O ATOM 966 CG2 THR A 66 -1.752 -11.077 11.278 1.00 0.00 C ATOM 0 H THR A 66 -1.815 -13.331 8.038 1.00 0.00 H new ATOM 0 HA THR A 66 -2.447 -10.715 8.528 1.00 0.00 H new ATOM 0 HB THR A 66 -1.187 -12.877 10.239 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.390 -13.266 9.709 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.955 -11.606 12.209 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.742 -10.669 11.305 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.468 -10.264 11.159 1.00 0.00 H new ATOM 974 N LYS A 67 0.786 -11.112 8.658 1.00 0.00 N ATOM 975 CA LYS A 67 2.045 -10.386 8.653 1.00 0.00 C ATOM 976 C LYS A 67 1.890 -9.113 7.818 1.00 0.00 C ATOM 977 O LYS A 67 2.312 -8.036 8.237 1.00 0.00 O ATOM 978 CB LYS A 67 3.185 -11.293 8.187 1.00 0.00 C ATOM 979 CG LYS A 67 4.117 -11.643 9.350 1.00 0.00 C ATOM 980 CD LYS A 67 4.929 -12.903 9.040 1.00 0.00 C ATOM 981 CE LYS A 67 5.927 -13.200 10.161 1.00 0.00 C ATOM 982 NZ LYS A 67 7.316 -13.088 9.662 1.00 0.00 N ATOM 0 H LYS A 67 0.877 -12.124 8.574 1.00 0.00 H new ATOM 0 HA LYS A 67 2.310 -10.075 9.663 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.775 -12.207 7.757 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.751 -10.796 7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.792 -10.809 9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.532 -11.797 10.257 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.257 -13.751 8.912 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.462 -12.774 8.098 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.774 -12.504 10.986 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.755 -14.202 10.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.980 -13.293 10.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.463 -13.769 8.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.482 -12.124 9.310 1.00 0.00 H new ATOM 996 N GLU A 68 1.285 -9.279 6.652 1.00 0.00 N ATOM 997 CA GLU A 68 1.069 -8.157 5.754 1.00 0.00 C ATOM 998 C GLU A 68 0.078 -7.167 6.369 1.00 0.00 C ATOM 999 O GLU A 68 0.270 -5.956 6.281 1.00 0.00 O ATOM 1000 CB GLU A 68 0.586 -8.636 4.383 1.00 0.00 C ATOM 1001 CG GLU A 68 1.585 -9.614 3.761 1.00 0.00 C ATOM 1002 CD GLU A 68 3.011 -9.066 3.840 1.00 0.00 C ATOM 1003 OE1 GLU A 68 3.368 -8.281 2.935 1.00 0.00 O ATOM 1004 OE2 GLU A 68 3.712 -9.444 4.803 1.00 0.00 O ATOM 0 H GLU A 68 0.937 -10.174 6.308 1.00 0.00 H new ATOM 0 HA GLU A 68 2.021 -7.646 5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.386 -9.119 4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.450 -7.780 3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.531 -10.572 4.278 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.319 -9.798 2.720 1.00 0.00 H new ATOM 1011 N LEU A 69 -0.960 -7.721 6.979 1.00 0.00 N ATOM 1012 CA LEU A 69 -1.982 -6.902 7.609 1.00 0.00 C ATOM 1013 C LEU A 69 -1.317 -5.913 8.568 1.00 0.00 C ATOM 1014 O LEU A 69 -1.553 -4.709 8.487 1.00 0.00 O ATOM 1015 CB LEU A 69 -3.042 -7.783 8.271 1.00 0.00 C ATOM 1016 CG LEU A 69 -4.021 -8.481 7.325 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.854 -9.526 8.070 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -4.898 -7.463 6.594 1.00 0.00 C ATOM 0 H LEU A 69 -1.115 -8.727 7.050 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.513 -6.313 6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.535 -8.545 8.863 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.615 -7.168 8.965 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.444 -9.011 6.567 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.541 -10.007 7.374 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.193 -10.276 8.504 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.422 -9.040 8.864 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.585 -7.986 5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.468 -6.885 7.321 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.267 -6.792 6.011 1.00 0.00 H new ATOM 1030 N LEU A 70 -0.498 -6.459 9.456 1.00 0.00 N ATOM 1031 CA LEU A 70 0.203 -5.640 10.430 1.00 0.00 C ATOM 1032 C LEU A 70 1.045 -4.593 9.698 1.00 0.00 C ATOM 1033 O LEU A 70 1.124 -3.443 10.129 1.00 0.00 O ATOM 1034 CB LEU A 70 1.011 -6.519 11.387 1.00 0.00 C ATOM 1035 CG LEU A 70 0.224 -7.168 12.528 1.00 0.00 C ATOM 1036 CD1 LEU A 70 -0.378 -6.107 13.451 1.00 0.00 C ATOM 1037 CD2 LEU A 70 -0.838 -8.126 11.986 1.00 0.00 C ATOM 0 H LEU A 70 -0.305 -7.458 9.521 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.508 -5.099 11.054 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.490 -7.308 10.807 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.808 -5.914 11.820 1.00 0.00 H new ATOM 0 HG LEU A 70 0.916 -7.760 13.127 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.932 -6.595 14.253 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.421 -5.501 13.878 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.052 -5.469 12.880 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.383 -8.574 12.817 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.533 -7.577 11.351 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.356 -8.911 11.403 1.00 0.00 H new ATOM 1049 N ALA A 71 1.653 -5.027 8.604 1.00 0.00 N ATOM 1050 CA ALA A 71 2.486 -4.142 7.809 1.00 0.00 C ATOM 1051 C ALA A 71 1.602 -3.098 7.122 1.00 0.00 C ATOM 1052 O ALA A 71 2.061 -2.001 6.808 1.00 0.00 O ATOM 1053 CB ALA A 71 3.299 -4.966 6.809 1.00 0.00 C ATOM 0 H ALA A 71 1.585 -5.981 8.249 1.00 0.00 H new ATOM 0 HA ALA A 71 3.194 -3.609 8.444 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.924 -4.301 6.213 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.931 -5.672 7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.622 -5.513 6.153 1.00 0.00 H new ATOM 1059 N LEU A 72 0.351 -3.477 6.910 1.00 0.00 N ATOM 1060 CA LEU A 72 -0.601 -2.587 6.266 1.00 0.00 C ATOM 1061 C LEU A 72 -1.057 -1.524 7.267 1.00 0.00 C ATOM 1062 O LEU A 72 -1.498 -0.445 6.875 1.00 0.00 O ATOM 1063 CB LEU A 72 -1.752 -3.387 5.653 1.00 0.00 C ATOM 1064 CG LEU A 72 -1.434 -4.132 4.355 1.00 0.00 C ATOM 1065 CD1 LEU A 72 -2.263 -5.413 4.240 1.00 0.00 C ATOM 1066 CD2 LEU A 72 -1.617 -3.221 3.140 1.00 0.00 C ATOM 0 H LEU A 72 -0.026 -4.388 7.172 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.129 -2.062 5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.097 -4.112 6.390 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.582 -2.706 5.464 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.385 -4.428 4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.017 -5.923 3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.039 -6.068 5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.324 -5.162 4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.384 -3.776 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.649 -2.873 3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.948 -2.364 3.223 1.00 0.00 H new ATOM 1078 N ASP A 73 -0.933 -1.865 8.542 1.00 0.00 N ATOM 1079 CA ASP A 73 -1.327 -0.954 9.602 1.00 0.00 C ATOM 1080 C ASP A 73 -0.114 -0.129 10.036 1.00 0.00 C ATOM 1081 O ASP A 73 -0.264 0.931 10.642 1.00 0.00 O ATOM 1082 CB ASP A 73 -1.840 -1.719 10.824 1.00 0.00 C ATOM 1083 CG ASP A 73 -2.840 -0.953 11.693 1.00 0.00 C ATOM 1084 OD1 ASP A 73 -2.624 0.266 11.867 1.00 0.00 O ATOM 1085 OD2 ASP A 73 -3.798 -1.604 12.163 1.00 0.00 O ATOM 0 H ASP A 73 -0.565 -2.760 8.864 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.121 -0.314 9.218 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.309 -2.643 10.485 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.987 -2.002 11.441 1.00 0.00 H new ATOM 1090 N SER A 74 1.061 -0.647 9.710 1.00 0.00 N ATOM 1091 CA SER A 74 2.300 0.028 10.058 1.00 0.00 C ATOM 1092 C SER A 74 2.406 1.352 9.299 1.00 0.00 C ATOM 1093 O SER A 74 2.776 2.374 9.874 1.00 0.00 O ATOM 1094 CB SER A 74 3.512 -0.855 9.757 1.00 0.00 C ATOM 1095 OG SER A 74 4.740 -0.199 10.063 1.00 0.00 O ATOM 0 H SER A 74 1.181 -1.527 9.208 1.00 0.00 H new ATOM 0 HA SER A 74 2.290 0.231 11.129 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.440 -1.777 10.333 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.504 -1.136 8.704 1.00 0.00 H new ATOM 0 HG SER A 74 5.490 -0.796 9.858 1.00 0.00 H new ATOM 1101 N VAL A 75 2.074 1.291 8.018 1.00 0.00 N ATOM 1102 CA VAL A 75 2.127 2.472 7.173 1.00 0.00 C ATOM 1103 C VAL A 75 1.205 3.548 7.750 1.00 0.00 C ATOM 1104 O VAL A 75 0.148 3.236 8.298 1.00 0.00 O ATOM 1105 CB VAL A 75 1.781 2.100 5.730 1.00 0.00 C ATOM 1106 CG1 VAL A 75 2.612 0.905 5.258 1.00 0.00 C ATOM 1107 CG2 VAL A 75 0.285 1.821 5.579 1.00 0.00 C ATOM 0 H VAL A 75 1.767 0.441 7.544 1.00 0.00 H new ATOM 0 HA VAL A 75 3.136 2.883 7.155 1.00 0.00 H new ATOM 0 HB VAL A 75 2.028 2.952 5.096 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.347 0.661 4.229 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.672 1.155 5.310 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.410 0.046 5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.066 1.559 4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.002 0.994 6.230 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.281 2.711 5.855 1.00 0.00 H new ATOM 1117 N ASP A 76 1.637 4.792 7.608 1.00 0.00 N ATOM 1118 CA ASP A 76 0.864 5.916 8.108 1.00 0.00 C ATOM 1119 C ASP A 76 0.349 6.741 6.927 1.00 0.00 C ATOM 1120 O ASP A 76 1.137 7.295 6.162 1.00 0.00 O ATOM 1121 CB ASP A 76 1.723 6.829 8.984 1.00 0.00 C ATOM 1122 CG ASP A 76 2.240 6.188 10.274 1.00 0.00 C ATOM 1123 OD1 ASP A 76 1.416 6.034 11.201 1.00 0.00 O ATOM 1124 OD2 ASP A 76 3.448 5.866 10.303 1.00 0.00 O ATOM 0 H ASP A 76 2.514 5.047 7.153 1.00 0.00 H new ATOM 0 HA ASP A 76 0.039 5.521 8.700 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.576 7.171 8.399 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.140 7.712 9.243 1.00 0.00 H new ATOM 1129 N PRO A 77 -1.005 6.799 6.812 1.00 0.00 N ATOM 1130 CA PRO A 77 -1.634 7.547 5.737 1.00 0.00 C ATOM 1131 C PRO A 77 -1.557 9.053 6.000 1.00 0.00 C ATOM 1132 O PRO A 77 -1.383 9.840 5.071 1.00 0.00 O ATOM 1133 CB PRO A 77 -3.060 7.027 5.678 1.00 0.00 C ATOM 1134 CG PRO A 77 -3.312 6.347 7.014 1.00 0.00 C ATOM 1135 CD PRO A 77 -1.969 6.156 7.700 1.00 0.00 C ATOM 0 HA PRO A 77 -1.134 7.408 4.779 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.766 7.841 5.515 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.186 6.326 4.853 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.974 6.954 7.632 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.805 5.386 6.866 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.961 6.612 8.690 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.740 5.099 7.835 1.00 0.00 H new ATOM 1143 N GLU A 78 -1.691 9.407 7.269 1.00 0.00 N ATOM 1144 CA GLU A 78 -1.639 10.805 7.666 1.00 0.00 C ATOM 1145 C GLU A 78 -2.896 11.537 7.194 1.00 0.00 C ATOM 1146 O GLU A 78 -2.822 12.422 6.343 1.00 0.00 O ATOM 1147 CB GLU A 78 -0.376 11.480 7.127 1.00 0.00 C ATOM 1148 CG GLU A 78 0.639 11.718 8.247 1.00 0.00 C ATOM 1149 CD GLU A 78 1.415 13.016 8.017 1.00 0.00 C ATOM 1150 OE1 GLU A 78 0.754 14.019 7.671 1.00 0.00 O ATOM 1151 OE2 GLU A 78 2.652 12.977 8.193 1.00 0.00 O ATOM 0 H GLU A 78 -1.836 8.751 8.036 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.601 10.853 8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.071 10.857 6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.638 12.430 6.661 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.123 11.764 9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.333 10.879 8.298 1.00 0.00 H new ATOM 1158 N GLY A 79 -4.023 11.142 7.769 1.00 0.00 N ATOM 1159 CA GLY A 79 -5.295 11.750 7.418 1.00 0.00 C ATOM 1160 C GLY A 79 -5.404 11.961 5.907 1.00 0.00 C ATOM 1161 O GLY A 79 -5.860 13.010 5.454 1.00 0.00 O ATOM 0 H GLY A 79 -4.081 10.408 8.475 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.112 11.115 7.760 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.399 12.706 7.931 1.00 0.00 H new ATOM 1165 N ARG A 80 -4.977 10.948 5.167 1.00 0.00 N ATOM 1166 CA ARG A 80 -5.021 11.009 3.716 1.00 0.00 C ATOM 1167 C ARG A 80 -5.799 9.816 3.158 1.00 0.00 C ATOM 1168 O ARG A 80 -5.264 8.712 3.060 1.00 0.00 O ATOM 1169 CB ARG A 80 -3.611 11.012 3.123 1.00 0.00 C ATOM 1170 CG ARG A 80 -2.996 12.413 3.177 1.00 0.00 C ATOM 1171 CD ARG A 80 -1.497 12.342 3.473 1.00 0.00 C ATOM 1172 NE ARG A 80 -0.771 13.334 2.649 1.00 0.00 N ATOM 1173 CZ ARG A 80 0.505 13.689 2.851 1.00 0.00 C ATOM 1174 NH1 ARG A 80 1.205 13.135 3.850 1.00 0.00 N ATOM 1175 NH2 ARG A 80 1.082 14.598 2.053 1.00 0.00 N ATOM 0 H ARG A 80 -4.599 10.080 5.546 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.522 11.936 3.438 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.980 10.313 3.672 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.646 10.666 2.090 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.159 12.923 2.227 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.495 13.004 3.946 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.317 12.534 4.531 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.124 11.340 3.263 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.274 13.775 1.879 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.767 12.443 4.457 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.176 13.406 4.003 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.550 15.020 1.292 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.053 14.868 2.207 1.00 0.00 H new ATOM 1189 N ALA A 81 -7.049 10.078 2.806 1.00 0.00 N ATOM 1190 CA ALA A 81 -7.906 9.040 2.260 1.00 0.00 C ATOM 1191 C ALA A 81 -7.171 8.320 1.127 1.00 0.00 C ATOM 1192 O ALA A 81 -7.267 7.101 0.995 1.00 0.00 O ATOM 1193 CB ALA A 81 -9.227 9.658 1.796 1.00 0.00 C ATOM 0 H ALA A 81 -7.489 10.995 2.888 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.143 8.299 3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.869 8.878 1.386 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.725 10.131 2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.029 10.406 1.028 1.00 0.00 H new ATOM 1199 N ASP A 82 -6.451 9.106 0.339 1.00 0.00 N ATOM 1200 CA ASP A 82 -5.700 8.559 -0.777 1.00 0.00 C ATOM 1201 C ASP A 82 -4.835 7.397 -0.284 1.00 0.00 C ATOM 1202 O ASP A 82 -4.824 6.326 -0.889 1.00 0.00 O ATOM 1203 CB ASP A 82 -4.773 9.613 -1.386 1.00 0.00 C ATOM 1204 CG ASP A 82 -5.389 10.441 -2.516 1.00 0.00 C ATOM 1205 OD1 ASP A 82 -6.152 11.373 -2.186 1.00 0.00 O ATOM 1206 OD2 ASP A 82 -5.082 10.121 -3.685 1.00 0.00 O ATOM 0 H ASP A 82 -6.372 10.117 0.452 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.412 8.225 -1.532 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.448 10.290 -0.596 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.881 9.115 -1.766 1.00 0.00 H new ATOM 1211 N VAL A 83 -4.130 7.649 0.809 1.00 0.00 N ATOM 1212 CA VAL A 83 -3.264 6.637 1.391 1.00 0.00 C ATOM 1213 C VAL A 83 -4.106 5.669 2.224 1.00 0.00 C ATOM 1214 O VAL A 83 -4.021 4.455 2.047 1.00 0.00 O ATOM 1215 CB VAL A 83 -2.147 7.304 2.196 1.00 0.00 C ATOM 1216 CG1 VAL A 83 -1.197 6.259 2.785 1.00 0.00 C ATOM 1217 CG2 VAL A 83 -1.385 8.318 1.340 1.00 0.00 C ATOM 0 H VAL A 83 -4.141 8.539 1.307 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.778 6.054 0.608 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.607 7.843 3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.412 6.759 3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.753 5.593 3.444 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.748 5.680 1.978 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.597 8.778 1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.943 7.811 0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.072 9.089 0.991 1.00 0.00 H new ATOM 1227 N ARG A 84 -4.901 6.243 3.116 1.00 0.00 N ATOM 1228 CA ARG A 84 -5.757 5.446 3.977 1.00 0.00 C ATOM 1229 C ARG A 84 -6.527 4.413 3.152 1.00 0.00 C ATOM 1230 O ARG A 84 -6.420 3.212 3.398 1.00 0.00 O ATOM 1231 CB ARG A 84 -6.753 6.329 4.733 1.00 0.00 C ATOM 1232 CG ARG A 84 -7.189 5.667 6.042 1.00 0.00 C ATOM 1233 CD ARG A 84 -8.476 6.300 6.574 1.00 0.00 C ATOM 1234 NE ARG A 84 -9.174 5.352 7.471 1.00 0.00 N ATOM 1235 CZ ARG A 84 -10.306 5.635 8.130 1.00 0.00 C ATOM 1236 NH1 ARG A 84 -10.875 6.841 7.996 1.00 0.00 N ATOM 1237 NH2 ARG A 84 -10.868 4.713 8.923 1.00 0.00 N ATOM 0 H ARG A 84 -4.970 7.250 3.260 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.119 4.937 4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.299 7.297 4.945 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.626 6.516 4.108 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.344 4.600 5.880 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.397 5.765 6.785 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.243 7.219 7.113 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.127 6.574 5.743 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.768 4.425 7.595 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.446 7.543 7.393 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.737 7.057 8.497 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.434 3.796 9.025 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.730 4.929 9.425 1.00 0.00 H new ATOM 1251 N GLN A 85 -7.286 4.917 2.190 1.00 0.00 N ATOM 1252 CA GLN A 85 -8.073 4.053 1.327 1.00 0.00 C ATOM 1253 C GLN A 85 -7.244 2.844 0.889 1.00 0.00 C ATOM 1254 O GLN A 85 -7.641 1.701 1.112 1.00 0.00 O ATOM 1255 CB GLN A 85 -8.602 4.823 0.116 1.00 0.00 C ATOM 1256 CG GLN A 85 -9.197 3.870 -0.923 1.00 0.00 C ATOM 1257 CD GLN A 85 -10.640 4.254 -1.257 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -11.003 5.418 -1.311 1.00 0.00 O ATOM 1259 NE2 GLN A 85 -11.439 3.215 -1.478 1.00 0.00 N ATOM 0 H GLN A 85 -7.373 5.913 1.989 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.933 3.694 1.892 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.361 5.536 0.437 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.794 5.399 -0.334 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.592 3.891 -1.830 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.167 2.848 -0.544 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.070 2.266 -1.417 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.421 3.367 -1.709 1.00 0.00 H new ATOM 1268 N ALA A 86 -6.108 3.137 0.273 1.00 0.00 N ATOM 1269 CA ALA A 86 -5.220 2.088 -0.199 1.00 0.00 C ATOM 1270 C ALA A 86 -4.964 1.094 0.936 1.00 0.00 C ATOM 1271 O ALA A 86 -5.115 -0.113 0.755 1.00 0.00 O ATOM 1272 CB ALA A 86 -3.928 2.713 -0.730 1.00 0.00 C ATOM 0 H ALA A 86 -5.782 4.086 0.090 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.678 1.538 -1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.262 1.926 -1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.162 3.388 -1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.439 3.271 0.069 1.00 0.00 H new ATOM 1278 N ARG A 87 -4.579 1.639 2.081 1.00 0.00 N ATOM 1279 CA ARG A 87 -4.300 0.816 3.245 1.00 0.00 C ATOM 1280 C ARG A 87 -5.447 -0.167 3.487 1.00 0.00 C ATOM 1281 O ARG A 87 -5.215 -1.353 3.718 1.00 0.00 O ATOM 1282 CB ARG A 87 -4.103 1.677 4.494 1.00 0.00 C ATOM 1283 CG ARG A 87 -2.982 1.118 5.373 1.00 0.00 C ATOM 1284 CD ARG A 87 -2.516 2.159 6.394 1.00 0.00 C ATOM 1285 NE ARG A 87 -3.588 2.412 7.383 1.00 0.00 N ATOM 1286 CZ ARG A 87 -3.369 2.642 8.685 1.00 0.00 C ATOM 1287 NH1 ARG A 87 -2.117 2.652 9.163 1.00 0.00 N ATOM 1288 NH2 ARG A 87 -4.403 2.862 9.509 1.00 0.00 N ATOM 0 H ARG A 87 -4.454 2.641 2.227 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.380 0.265 3.049 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.865 2.700 4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.032 1.716 5.063 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.332 0.226 5.892 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.142 0.814 4.748 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.618 1.807 6.901 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.252 3.086 5.886 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.553 2.411 7.053 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.330 2.485 8.536 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.951 2.827 10.154 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.356 2.854 9.145 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.237 3.037 10.500 1.00 0.00 H new ATOM 1302 N ARG A 88 -6.660 0.362 3.426 1.00 0.00 N ATOM 1303 CA ARG A 88 -7.844 -0.454 3.636 1.00 0.00 C ATOM 1304 C ARG A 88 -8.037 -1.420 2.465 1.00 0.00 C ATOM 1305 O ARG A 88 -8.232 -2.617 2.669 1.00 0.00 O ATOM 1306 CB ARG A 88 -9.094 0.416 3.782 1.00 0.00 C ATOM 1307 CG ARG A 88 -8.726 1.834 4.221 1.00 0.00 C ATOM 1308 CD ARG A 88 -9.890 2.498 4.961 1.00 0.00 C ATOM 1309 NE ARG A 88 -10.955 2.867 4.002 1.00 0.00 N ATOM 1310 CZ ARG A 88 -10.999 4.031 3.339 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -10.039 4.946 3.528 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -12.004 4.280 2.488 1.00 0.00 N ATOM 0 H ARG A 88 -6.849 1.346 3.234 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.699 -1.018 4.557 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -9.629 0.453 2.833 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -9.769 -0.031 4.512 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -7.850 1.802 4.868 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -8.457 2.430 3.349 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -10.288 1.818 5.715 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -9.539 3.386 5.486 1.00 0.00 H new ATOM 0 HE ARG A 88 -11.702 2.193 3.835 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -9.275 4.757 4.176 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -10.072 5.832 3.023 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -12.735 3.584 2.345 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -12.037 5.166 1.983 1.00 0.00 H new ATOM 1326 N ASP A 89 -7.977 -0.863 1.264 1.00 0.00 N ATOM 1327 CA ASP A 89 -8.143 -1.660 0.060 1.00 0.00 C ATOM 1328 C ASP A 89 -7.243 -2.895 0.143 1.00 0.00 C ATOM 1329 O ASP A 89 -7.662 -3.998 -0.204 1.00 0.00 O ATOM 1330 CB ASP A 89 -7.744 -0.867 -1.185 1.00 0.00 C ATOM 1331 CG ASP A 89 -8.401 -1.332 -2.486 1.00 0.00 C ATOM 1332 OD1 ASP A 89 -8.499 -2.566 -2.663 1.00 0.00 O ATOM 1333 OD2 ASP A 89 -8.791 -0.444 -3.275 1.00 0.00 O ATOM 0 H ASP A 89 -7.816 0.131 1.099 1.00 0.00 H new ATOM 0 HA ASP A 89 -9.193 -1.943 -0.015 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.993 0.182 -1.025 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.662 -0.923 -1.302 1.00 0.00 H new ATOM 1338 N GLY A 90 -6.022 -2.668 0.606 1.00 0.00 N ATOM 1339 CA GLY A 90 -5.059 -3.747 0.739 1.00 0.00 C ATOM 1340 C GLY A 90 -5.431 -4.674 1.898 1.00 0.00 C ATOM 1341 O GLY A 90 -5.485 -5.892 1.731 1.00 0.00 O ATOM 0 H GLY A 90 -5.678 -1.752 0.894 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.017 -4.318 -0.189 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.064 -3.333 0.904 1.00 0.00 H new ATOM 1345 N VAL A 91 -5.678 -4.062 3.047 1.00 0.00 N ATOM 1346 CA VAL A 91 -6.043 -4.817 4.233 1.00 0.00 C ATOM 1347 C VAL A 91 -7.247 -5.707 3.916 1.00 0.00 C ATOM 1348 O VAL A 91 -7.349 -6.823 4.423 1.00 0.00 O ATOM 1349 CB VAL A 91 -6.296 -3.864 5.403 1.00 0.00 C ATOM 1350 CG1 VAL A 91 -7.180 -4.521 6.465 1.00 0.00 C ATOM 1351 CG2 VAL A 91 -4.979 -3.379 6.010 1.00 0.00 C ATOM 0 H VAL A 91 -5.632 -3.052 3.181 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.225 -5.472 4.535 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.827 -2.994 5.017 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.344 -3.822 7.285 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.138 -4.793 6.023 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.688 -5.417 6.845 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.188 -2.703 6.839 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.409 -4.234 6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.400 -2.853 5.251 1.00 0.00 H new ATOM 1361 N ARG A 92 -8.128 -5.180 3.079 1.00 0.00 N ATOM 1362 CA ARG A 92 -9.320 -5.912 2.688 1.00 0.00 C ATOM 1363 C ARG A 92 -8.943 -7.120 1.827 1.00 0.00 C ATOM 1364 O ARG A 92 -9.595 -8.161 1.892 1.00 0.00 O ATOM 1365 CB ARG A 92 -10.284 -5.018 1.906 1.00 0.00 C ATOM 1366 CG ARG A 92 -11.247 -5.856 1.062 1.00 0.00 C ATOM 1367 CD ARG A 92 -12.488 -5.047 0.681 1.00 0.00 C ATOM 1368 NE ARG A 92 -13.442 -5.903 -0.060 1.00 0.00 N ATOM 1369 CZ ARG A 92 -13.326 -6.207 -1.359 1.00 0.00 C ATOM 1370 NH1 ARG A 92 -12.297 -5.727 -2.071 1.00 0.00 N ATOM 1371 NH2 ARG A 92 -14.240 -6.991 -1.948 1.00 0.00 N ATOM 0 H ARG A 92 -8.040 -4.254 2.660 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.814 -6.251 3.599 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.850 -4.394 2.598 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.719 -4.346 1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.741 -6.199 0.160 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.545 -6.745 1.618 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.963 -4.650 1.578 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.201 -4.193 0.068 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.238 -6.285 0.451 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.602 -5.130 -1.623 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.209 -5.959 -3.060 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.024 -7.356 -1.407 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.152 -7.223 -2.937 1.00 0.00 H new ATOM 1385 N LYS A 93 -7.892 -6.940 1.041 1.00 0.00 N ATOM 1386 CA LYS A 93 -7.420 -8.002 0.168 1.00 0.00 C ATOM 1387 C LYS A 93 -6.992 -9.201 1.017 1.00 0.00 C ATOM 1388 O LYS A 93 -7.406 -10.330 0.756 1.00 0.00 O ATOM 1389 CB LYS A 93 -6.321 -7.483 -0.761 1.00 0.00 C ATOM 1390 CG LYS A 93 -5.677 -8.630 -1.543 1.00 0.00 C ATOM 1391 CD LYS A 93 -6.345 -8.805 -2.908 1.00 0.00 C ATOM 1392 CE LYS A 93 -6.848 -10.238 -3.093 1.00 0.00 C ATOM 1393 NZ LYS A 93 -8.157 -10.243 -3.783 1.00 0.00 N ATOM 0 H LYS A 93 -7.354 -6.075 0.990 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.223 -8.343 -0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.741 -6.755 -1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.561 -6.965 -0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.614 -8.432 -1.677 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.759 -9.555 -0.973 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.178 -8.109 -3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.635 -8.560 -3.698 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -6.124 -10.812 -3.671 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.940 -10.725 -2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -8.484 -11.223 -3.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -8.850 -9.713 -3.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -8.059 -9.797 -4.717 1.00 0.00 H new ATOM 1407 N VAL A 94 -6.170 -8.916 2.015 1.00 0.00 N ATOM 1408 CA VAL A 94 -5.681 -9.957 2.903 1.00 0.00 C ATOM 1409 C VAL A 94 -6.871 -10.673 3.545 1.00 0.00 C ATOM 1410 O VAL A 94 -6.932 -11.902 3.550 1.00 0.00 O ATOM 1411 CB VAL A 94 -4.718 -9.359 3.931 1.00 0.00 C ATOM 1412 CG1 VAL A 94 -3.979 -10.459 4.695 1.00 0.00 C ATOM 1413 CG2 VAL A 94 -3.733 -8.398 3.264 1.00 0.00 C ATOM 0 H VAL A 94 -5.830 -7.979 2.229 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.116 -10.702 2.343 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.307 -8.790 4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.301 -10.007 5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.701 -11.087 5.217 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.408 -11.068 3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.060 -7.987 4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.153 -8.934 2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.283 -7.587 2.787 1.00 0.00 H new ATOM 1423 N GLN A 95 -7.788 -9.874 4.072 1.00 0.00 N ATOM 1424 CA GLN A 95 -8.973 -10.416 4.715 1.00 0.00 C ATOM 1425 C GLN A 95 -9.599 -11.506 3.842 1.00 0.00 C ATOM 1426 O GLN A 95 -9.756 -12.644 4.281 1.00 0.00 O ATOM 1427 CB GLN A 95 -9.985 -9.311 5.022 1.00 0.00 C ATOM 1428 CG GLN A 95 -9.504 -8.434 6.180 1.00 0.00 C ATOM 1429 CD GLN A 95 -10.629 -7.528 6.685 1.00 0.00 C ATOM 1430 OE1 GLN A 95 -11.744 -7.545 6.190 1.00 0.00 O ATOM 1431 NE2 GLN A 95 -10.275 -6.737 7.694 1.00 0.00 N ATOM 0 H GLN A 95 -7.734 -8.855 4.067 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.675 -10.863 5.663 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -10.138 -8.696 4.135 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.949 -9.755 5.273 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -9.147 -9.064 6.994 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -8.661 -7.825 5.854 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -9.324 -6.773 8.061 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.954 -6.094 8.101 1.00 0.00 H new ATOM 1440 N THR A 96 -9.939 -11.119 2.621 1.00 0.00 N ATOM 1441 CA THR A 96 -10.545 -12.049 1.683 1.00 0.00 C ATOM 1442 C THR A 96 -9.741 -13.349 1.628 1.00 0.00 C ATOM 1443 O THR A 96 -10.308 -14.438 1.715 1.00 0.00 O ATOM 1444 CB THR A 96 -10.658 -11.346 0.329 1.00 0.00 C ATOM 1445 OG1 THR A 96 -11.752 -10.448 0.494 1.00 0.00 O ATOM 1446 CG2 THR A 96 -11.117 -12.291 -0.784 1.00 0.00 C ATOM 0 H THR A 96 -9.806 -10.174 2.260 1.00 0.00 H new ATOM 0 HA THR A 96 -11.547 -12.337 2.001 1.00 0.00 H new ATOM 0 HB THR A 96 -9.694 -10.913 0.063 1.00 0.00 H new ATOM 0 HG1 THR A 96 -11.894 -9.949 -0.338 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.181 -11.742 -1.724 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.401 -13.106 -0.888 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.097 -12.698 -0.534 1.00 0.00 H new ATOM 1454 N ILE A 97 -8.433 -13.194 1.482 1.00 0.00 N ATOM 1455 CA ILE A 97 -7.546 -14.343 1.414 1.00 0.00 C ATOM 1456 C ILE A 97 -7.720 -15.192 2.675 1.00 0.00 C ATOM 1457 O ILE A 97 -7.772 -16.418 2.599 1.00 0.00 O ATOM 1458 CB ILE A 97 -6.104 -13.892 1.170 1.00 0.00 C ATOM 1459 CG1 ILE A 97 -6.011 -12.997 -0.068 1.00 0.00 C ATOM 1460 CG2 ILE A 97 -5.162 -15.094 1.081 1.00 0.00 C ATOM 1461 CD1 ILE A 97 -4.885 -11.972 0.081 1.00 0.00 C ATOM 0 H ILE A 97 -7.966 -12.290 1.409 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.806 -14.976 0.565 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.784 -13.294 2.023 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.835 -13.610 -0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.959 -12.482 -0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.144 -14.746 0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.199 -15.655 2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.471 -15.738 0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.840 -11.349 -0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.076 -11.345 0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.935 -12.491 0.209 1.00 0.00 H new ATOM 1473 N LEU A 98 -7.806 -14.505 3.805 1.00 0.00 N ATOM 1474 CA LEU A 98 -7.973 -15.181 5.080 1.00 0.00 C ATOM 1475 C LEU A 98 -9.269 -15.995 5.055 1.00 0.00 C ATOM 1476 O LEU A 98 -9.388 -17.001 5.753 1.00 0.00 O ATOM 1477 CB LEU A 98 -7.900 -14.177 6.232 1.00 0.00 C ATOM 1478 CG LEU A 98 -6.528 -14.009 6.889 1.00 0.00 C ATOM 1479 CD1 LEU A 98 -5.942 -15.364 7.290 1.00 0.00 C ATOM 1480 CD2 LEU A 98 -5.580 -13.220 5.983 1.00 0.00 C ATOM 0 H LEU A 98 -7.763 -13.488 3.864 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.157 -15.884 5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.225 -13.205 5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.613 -14.481 6.998 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.656 -13.431 7.804 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.967 -15.216 7.754 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.610 -15.854 7.998 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.830 -15.989 6.404 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.612 -13.115 6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.453 -13.750 5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.999 -12.232 5.791 1.00 0.00 H new ATOM 1492 N GLU A 99 -10.207 -15.529 4.243 1.00 0.00 N ATOM 1493 CA GLU A 99 -11.489 -16.201 4.118 1.00 0.00 C ATOM 1494 C GLU A 99 -11.349 -17.455 3.252 1.00 0.00 C ATOM 1495 O GLU A 99 -12.048 -18.444 3.468 1.00 0.00 O ATOM 1496 CB GLU A 99 -12.550 -15.257 3.548 1.00 0.00 C ATOM 1497 CG GLU A 99 -13.521 -16.010 2.637 1.00 0.00 C ATOM 1498 CD GLU A 99 -14.627 -15.082 2.129 1.00 0.00 C ATOM 1499 OE1 GLU A 99 -14.317 -13.889 1.924 1.00 0.00 O ATOM 1500 OE2 GLU A 99 -15.757 -15.587 1.958 1.00 0.00 O ATOM 0 H GLU A 99 -10.105 -14.694 3.666 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.816 -16.504 5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -13.100 -14.788 4.364 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -12.067 -14.457 2.988 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -12.979 -16.432 1.791 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -13.963 -16.845 3.181 1.00 0.00 H new ATOM 1507 N LYS A 100 -10.442 -17.373 2.290 1.00 0.00 N ATOM 1508 CA LYS A 100 -10.201 -18.488 1.391 1.00 0.00 C ATOM 1509 C LYS A 100 -9.495 -19.610 2.155 1.00 0.00 C ATOM 1510 O LYS A 100 -9.982 -20.739 2.198 1.00 0.00 O ATOM 1511 CB LYS A 100 -9.444 -18.020 0.147 1.00 0.00 C ATOM 1512 CG LYS A 100 -10.402 -17.787 -1.023 1.00 0.00 C ATOM 1513 CD LYS A 100 -10.119 -16.447 -1.705 1.00 0.00 C ATOM 1514 CE LYS A 100 -8.845 -16.521 -2.550 1.00 0.00 C ATOM 1515 NZ LYS A 100 -8.859 -15.478 -3.600 1.00 0.00 N ATOM 0 H LYS A 100 -9.865 -16.551 2.114 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.145 -18.894 1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.906 -17.099 0.370 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.699 -18.765 -0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -10.301 -18.596 -1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.431 -17.806 -0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.963 -16.171 -2.337 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.015 -15.666 -0.952 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.970 -16.392 -1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.762 -17.506 -3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.988 -15.542 -4.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.683 -15.619 -4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.916 -14.539 -3.156 1.00 0.00 H new ATOM 1529 N LEU A 101 -8.358 -19.261 2.739 1.00 0.00 N ATOM 1530 CA LEU A 101 -7.581 -20.225 3.499 1.00 0.00 C ATOM 1531 C LEU A 101 -8.529 -21.140 4.276 1.00 0.00 C ATOM 1532 O LEU A 101 -8.444 -22.362 4.169 1.00 0.00 O ATOM 1533 CB LEU A 101 -6.555 -19.509 4.381 1.00 0.00 C ATOM 1534 CG LEU A 101 -5.142 -20.096 4.378 1.00 0.00 C ATOM 1535 CD1 LEU A 101 -4.433 -19.824 5.706 1.00 0.00 C ATOM 1536 CD2 LEU A 101 -5.168 -21.587 4.037 1.00 0.00 C ATOM 0 H LEU A 101 -7.956 -18.324 2.701 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.003 -20.861 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.495 -18.468 4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.925 -19.508 5.406 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.567 -19.598 3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.431 -20.252 5.678 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.364 -18.748 5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.998 -20.278 6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.151 -21.979 4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.766 -22.119 4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.606 -21.727 3.049 1.00 0.00 H new ATOM 1548 N GLU A 102 -9.410 -20.513 5.042 1.00 0.00 N ATOM 1549 CA GLU A 102 -10.373 -21.255 5.837 1.00 0.00 C ATOM 1550 C GLU A 102 -10.939 -22.425 5.029 1.00 0.00 C ATOM 1551 O GLU A 102 -10.553 -23.574 5.239 1.00 0.00 O ATOM 1552 CB GLU A 102 -11.493 -20.341 6.336 1.00 0.00 C ATOM 1553 CG GLU A 102 -11.586 -20.370 7.863 1.00 0.00 C ATOM 1554 CD GLU A 102 -13.009 -20.062 8.332 1.00 0.00 C ATOM 1555 OE1 GLU A 102 -13.712 -19.350 7.582 1.00 0.00 O ATOM 1556 OE2 GLU A 102 -13.362 -20.545 9.429 1.00 0.00 O ATOM 0 H GLU A 102 -9.477 -19.499 5.129 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.860 -21.656 6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.312 -19.321 5.999 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.443 -20.655 5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.282 -21.350 8.231 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.894 -19.642 8.287 1.00 0.00 H new ATOM 1563 N GLN A 103 -11.845 -22.092 4.121 1.00 0.00 N ATOM 1564 CA GLN A 103 -12.468 -23.100 3.281 1.00 0.00 C ATOM 1565 C GLN A 103 -11.403 -24.017 2.674 1.00 0.00 C ATOM 1566 O GLN A 103 -11.634 -25.213 2.502 1.00 0.00 O ATOM 1567 CB GLN A 103 -13.321 -22.453 2.188 1.00 0.00 C ATOM 1568 CG GLN A 103 -14.812 -22.629 2.481 1.00 0.00 C ATOM 1569 CD GLN A 103 -15.589 -22.942 1.200 1.00 0.00 C ATOM 1570 OE1 GLN A 103 -15.321 -22.410 0.135 1.00 0.00 O ATOM 1571 NE2 GLN A 103 -16.564 -23.831 1.363 1.00 0.00 N ATOM 0 H GLN A 103 -12.162 -21.138 3.949 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.129 -23.704 3.902 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -13.083 -21.392 2.117 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.081 -22.899 1.223 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.952 -23.435 3.202 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -15.206 -21.721 2.937 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -16.735 -24.238 2.283 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -17.141 -24.106 0.568 1.00 0.00 H new ATOM 1580 N LYS A 104 -10.261 -23.421 2.367 1.00 0.00 N ATOM 1581 CA LYS A 104 -9.160 -24.169 1.783 1.00 0.00 C ATOM 1582 C LYS A 104 -8.691 -25.236 2.775 1.00 0.00 C ATOM 1583 O LYS A 104 -8.225 -26.301 2.372 1.00 0.00 O ATOM 1584 CB LYS A 104 -8.049 -23.221 1.329 1.00 0.00 C ATOM 1585 CG LYS A 104 -8.599 -22.136 0.401 1.00 0.00 C ATOM 1586 CD LYS A 104 -8.229 -22.422 -1.056 1.00 0.00 C ATOM 1587 CE LYS A 104 -9.144 -23.492 -1.654 1.00 0.00 C ATOM 1588 NZ LYS A 104 -9.589 -23.096 -3.009 1.00 0.00 N ATOM 0 H LYS A 104 -10.074 -22.429 2.511 1.00 0.00 H new ATOM 0 HA LYS A 104 -9.489 -24.691 0.884 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.583 -22.758 2.199 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -7.272 -23.786 0.814 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.683 -22.082 0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.203 -21.164 0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.305 -21.505 -1.641 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.192 -22.752 -1.114 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.616 -24.445 -1.702 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.010 -23.640 -1.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -10.209 -23.834 -3.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -10.111 -22.198 -2.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.760 -22.978 -3.626 1.00 0.00 H new ATOM 1602 N ALA A 105 -8.831 -24.913 4.052 1.00 0.00 N ATOM 1603 CA ALA A 105 -8.428 -25.830 5.104 1.00 0.00 C ATOM 1604 C ALA A 105 -9.674 -26.449 5.741 1.00 0.00 C ATOM 1605 O ALA A 105 -9.674 -26.772 6.928 1.00 0.00 O ATOM 1606 CB ALA A 105 -7.560 -25.088 6.123 1.00 0.00 C ATOM 0 H ALA A 105 -9.218 -24.029 4.382 1.00 0.00 H new ATOM 0 HA ALA A 105 -7.828 -26.643 4.695 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -7.257 -25.776 6.913 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -6.674 -24.693 5.627 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -8.130 -24.266 6.556 1.00 0.00 H new ATOM 1612 N SER A 106 -10.706 -26.596 4.923 1.00 0.00 N ATOM 1613 CA SER A 106 -11.956 -27.171 5.391 1.00 0.00 C ATOM 1614 C SER A 106 -12.568 -28.051 4.300 1.00 0.00 C ATOM 1615 O SER A 106 -13.735 -28.431 4.386 1.00 0.00 O ATOM 1616 CB SER A 106 -12.943 -26.078 5.808 1.00 0.00 C ATOM 1617 OG SER A 106 -14.278 -26.568 5.889 1.00 0.00 O ATOM 0 H SER A 106 -10.702 -26.327 3.939 1.00 0.00 H new ATOM 0 HA SER A 106 -11.744 -27.784 6.267 1.00 0.00 H new ATOM 0 HB2 SER A 106 -12.647 -25.671 6.775 1.00 0.00 H new ATOM 0 HB3 SER A 106 -12.900 -25.258 5.091 1.00 0.00 H new ATOM 0 HG SER A 106 -14.276 -27.542 5.780 1.00 0.00 H new