USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 770 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 70 LYS NZ :NH3+ 166:sc= -0.0646 (180deg=-0.57) USER MOD Set 1.2: A 102 ASN : amide:sc= -0.618 X(o=-0.68,f=-0.7) USER MOD Set 2.1: A 48 HIS : no HD1:sc= -1.47 K(o=-2.5,f=-4.7!) USER MOD Set 2.2: A 86 SER OG : rot 96:sc= -1.02! USER MOD Set 3.1: A 34 LYS NZ :NH3+ 179:sc= -0.976 (180deg=-0.0462) USER MOD Set 3.2: A 41 GLN : amide:sc= -2.37 K(o=-3.4,f=-2.1) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -130:sc= -0.656 USER MOD Single : A 20 GLN : amide:sc= -4.89! C(o=-4.9!,f=-4.5!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 139:sc= 1.27 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.615 USER MOD Single : A 38 CYS SG : rot 15:sc= -0.301 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -1.15 X(o=-1.1,f=-1.1) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -170:sc= -0.0578 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -173:sc= 0 (180deg=-0.0416) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.0741 K(o=-0.074,f=-1.9!) USER MOD Single : A 82 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0113) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 137:sc= -0.716 (180deg=-4.41!) USER MOD Single : A 88 LYS NZ :NH3+ -125:sc= -0.31 (180deg=-2.28!) USER MOD Single : A 91 ASN : amide:sc= 0.807 K(o=0.81,f=-8!) USER MOD Single : A 92 GLN : amide:sc= -2.14! X(o=-2.1!,f=-1.9) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.0165 K(o=-0.017,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 228 N LEU A 12 14.882 2.342 8.690 1.00 0.00 N ATOM 229 CA LEU A 12 13.761 2.588 7.790 1.00 0.00 C ATOM 230 C LEU A 12 13.395 4.068 7.768 1.00 0.00 C ATOM 231 O LEU A 12 13.672 4.816 8.707 1.00 0.00 O ATOM 232 CB LEU A 12 12.549 1.757 8.214 1.00 0.00 C ATOM 233 CG LEU A 12 12.610 0.264 7.888 1.00 0.00 C ATOM 234 CD1 LEU A 12 11.390 -0.453 8.443 1.00 0.00 C ATOM 235 CD2 LEU A 12 12.719 0.050 6.385 1.00 0.00 C ATOM 0 HA LEU A 12 14.062 2.293 6.785 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.416 1.868 9.290 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.662 2.176 7.739 1.00 0.00 H new ATOM 0 HG LEU A 12 13.499 -0.155 8.360 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.450 -1.514 8.202 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.356 -0.329 9.525 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.488 -0.031 8.001 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.761 -1.018 6.172 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.850 0.484 5.892 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.624 0.530 6.014 1.00 0.00 H new ATOM 247 N PRO A 13 12.757 4.504 6.672 1.00 0.00 N ATOM 248 CA PRO A 13 12.336 5.898 6.502 1.00 0.00 C ATOM 249 C PRO A 13 11.194 6.278 7.438 1.00 0.00 C ATOM 250 O PRO A 13 10.715 5.451 8.213 1.00 0.00 O ATOM 251 CB PRO A 13 11.875 5.954 5.044 1.00 0.00 C ATOM 252 CG PRO A 13 11.478 4.556 4.718 1.00 0.00 C ATOM 253 CD PRO A 13 12.396 3.670 5.514 1.00 0.00 C ATOM 0 HA PRO A 13 13.139 6.597 6.736 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.039 6.642 4.919 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.674 6.301 4.389 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.436 4.375 4.981 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.576 4.361 3.650 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.899 2.750 5.821 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.275 3.381 4.938 1.00 0.00 H new ATOM 261 N ALA A 14 10.761 7.531 7.359 1.00 0.00 N ATOM 262 CA ALA A 14 9.673 8.019 8.197 1.00 0.00 C ATOM 263 C ALA A 14 8.334 7.904 7.478 1.00 0.00 C ATOM 264 O ALA A 14 8.263 7.422 6.347 1.00 0.00 O ATOM 265 CB ALA A 14 9.931 9.460 8.611 1.00 0.00 C ATOM 0 H ALA A 14 11.147 8.228 6.722 1.00 0.00 H new ATOM 0 HA ALA A 14 9.630 7.399 9.092 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.110 9.811 9.236 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.864 9.516 9.172 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.004 10.087 7.722 1.00 0.00 H new ATOM 271 N LEU A 15 7.272 8.350 8.141 1.00 0.00 N ATOM 272 CA LEU A 15 5.932 8.297 7.566 1.00 0.00 C ATOM 273 C LEU A 15 5.796 9.286 6.412 1.00 0.00 C ATOM 274 O LEU A 15 6.427 10.344 6.409 1.00 0.00 O ATOM 275 CB LEU A 15 4.883 8.599 8.637 1.00 0.00 C ATOM 276 CG LEU A 15 3.456 8.151 8.322 1.00 0.00 C ATOM 277 CD1 LEU A 15 3.430 6.680 7.934 1.00 0.00 C ATOM 278 CD2 LEU A 15 2.542 8.405 9.513 1.00 0.00 C ATOM 0 H LEU A 15 7.313 8.752 9.077 1.00 0.00 H new ATOM 0 HA LEU A 15 5.769 7.291 7.180 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.195 8.124 9.567 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.874 9.674 8.816 1.00 0.00 H new ATOM 0 HG LEU A 15 3.092 8.735 7.477 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.406 6.380 7.714 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.051 6.525 7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.815 6.079 8.758 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.530 8.080 9.271 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.906 7.847 10.376 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.535 9.470 9.746 1.00 0.00 H new ATOM 290 N TYR A 16 4.969 8.936 5.433 1.00 0.00 N ATOM 291 CA TYR A 16 4.750 9.792 4.274 1.00 0.00 C ATOM 292 C TYR A 16 6.069 10.114 3.578 1.00 0.00 C ATOM 293 O TYR A 16 6.214 11.161 2.946 1.00 0.00 O ATOM 294 CB TYR A 16 4.053 11.087 4.694 1.00 0.00 C ATOM 295 CG TYR A 16 2.752 10.864 5.430 1.00 0.00 C ATOM 296 CD1 TYR A 16 1.948 9.768 5.141 1.00 0.00 C ATOM 297 CD2 TYR A 16 2.326 11.748 6.413 1.00 0.00 C ATOM 298 CE1 TYR A 16 0.757 9.560 5.810 1.00 0.00 C ATOM 299 CE2 TYR A 16 1.137 11.547 7.088 1.00 0.00 C ATOM 300 CZ TYR A 16 0.356 10.451 6.783 1.00 0.00 C ATOM 301 OH TYR A 16 -0.829 10.248 7.453 1.00 0.00 O ATOM 0 H TYR A 16 4.439 8.065 5.419 1.00 0.00 H new ATOM 0 HA TYR A 16 4.111 9.255 3.573 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.726 11.662 5.330 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.860 11.690 3.807 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.259 9.067 4.381 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.934 12.607 6.654 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.143 8.704 5.572 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.821 12.244 7.850 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.963 10.966 8.106 1.00 0.00 H new ATOM 311 N THR A 17 7.031 9.203 3.695 1.00 0.00 N ATOM 312 CA THR A 17 8.338 9.388 3.079 1.00 0.00 C ATOM 313 C THR A 17 8.371 8.800 1.673 1.00 0.00 C ATOM 314 O THR A 17 7.870 7.700 1.438 1.00 0.00 O ATOM 315 CB THR A 17 9.453 8.738 3.921 1.00 0.00 C ATOM 316 OG1 THR A 17 9.526 9.367 5.206 1.00 0.00 O ATOM 317 CG2 THR A 17 10.797 8.853 3.218 1.00 0.00 C ATOM 0 H THR A 17 6.928 8.329 4.211 1.00 0.00 H new ATOM 0 HA THR A 17 8.513 10.463 3.025 1.00 0.00 H new ATOM 0 HB THR A 17 9.215 7.682 4.047 1.00 0.00 H new ATOM 0 HG1 THR A 17 10.455 9.615 5.396 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.569 8.387 3.831 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.747 8.349 2.253 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.039 9.905 3.066 1.00 0.00 H new ATOM 325 N ILE A 18 8.963 9.539 0.741 1.00 0.00 N ATOM 326 CA ILE A 18 9.063 9.089 -0.641 1.00 0.00 C ATOM 327 C ILE A 18 10.458 8.553 -0.946 1.00 0.00 C ATOM 328 O ILE A 18 11.461 9.204 -0.659 1.00 0.00 O ATOM 329 CB ILE A 18 8.735 10.225 -1.629 1.00 0.00 C ATOM 330 CG1 ILE A 18 7.264 10.627 -1.507 1.00 0.00 C ATOM 331 CG2 ILE A 18 9.058 9.799 -3.052 1.00 0.00 C ATOM 332 CD1 ILE A 18 6.902 11.847 -2.324 1.00 0.00 C ATOM 0 H ILE A 18 9.381 10.452 0.918 1.00 0.00 H new ATOM 0 HA ILE A 18 8.334 8.289 -0.765 1.00 0.00 H new ATOM 0 HB ILE A 18 9.350 11.091 -1.382 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.640 9.791 -1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.034 10.820 -0.459 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.821 10.612 -3.738 1.00 0.00 H new ATOM 0 HG22 ILE A 18 10.118 9.558 -3.128 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.467 8.921 -3.312 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.844 12.074 -2.190 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.500 12.696 -1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.100 11.651 -3.378 1.00 0.00 H new ATOM 344 N PHE A 19 10.512 7.361 -1.531 1.00 0.00 N ATOM 345 CA PHE A 19 11.784 6.735 -1.877 1.00 0.00 C ATOM 346 C PHE A 19 11.640 5.857 -3.116 1.00 0.00 C ATOM 347 O PHE A 19 10.537 5.438 -3.466 1.00 0.00 O ATOM 348 CB PHE A 19 12.302 5.901 -0.703 1.00 0.00 C ATOM 349 CG PHE A 19 11.245 5.047 -0.063 1.00 0.00 C ATOM 350 CD1 PHE A 19 10.778 3.907 -0.698 1.00 0.00 C ATOM 351 CD2 PHE A 19 10.719 5.383 1.174 1.00 0.00 C ATOM 352 CE1 PHE A 19 9.806 3.119 -0.112 1.00 0.00 C ATOM 353 CE2 PHE A 19 9.747 4.597 1.766 1.00 0.00 C ATOM 354 CZ PHE A 19 9.289 3.465 1.121 1.00 0.00 C ATOM 0 H PHE A 19 9.690 6.809 -1.776 1.00 0.00 H new ATOM 0 HA PHE A 19 12.501 7.526 -2.096 1.00 0.00 H new ATOM 0 HB2 PHE A 19 13.113 5.261 -1.052 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.723 6.568 0.049 1.00 0.00 H new ATOM 0 HD1 PHE A 19 11.179 3.631 -1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 19 11.072 6.269 1.682 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.451 2.233 -0.618 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.347 4.868 2.732 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.528 2.851 1.580 1.00 0.00 H new ATOM 364 N GLN A 20 12.761 5.583 -3.773 1.00 0.00 N ATOM 365 CA GLN A 20 12.760 4.755 -4.974 1.00 0.00 C ATOM 366 C GLN A 20 13.076 3.302 -4.633 1.00 0.00 C ATOM 367 O GLN A 20 14.123 3.001 -4.064 1.00 0.00 O ATOM 368 CB GLN A 20 13.775 5.287 -5.987 1.00 0.00 C ATOM 369 CG GLN A 20 13.430 4.950 -7.428 1.00 0.00 C ATOM 370 CD GLN A 20 14.403 5.557 -8.419 1.00 0.00 C ATOM 371 OE1 GLN A 20 15.599 5.268 -8.389 1.00 0.00 O ATOM 372 NE2 GLN A 20 13.894 6.406 -9.305 1.00 0.00 N ATOM 0 H GLN A 20 13.682 5.922 -3.495 1.00 0.00 H new ATOM 0 HA GLN A 20 11.764 4.797 -5.414 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.846 6.370 -5.883 1.00 0.00 H new ATOM 0 HB3 GLN A 20 14.758 4.879 -5.752 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.420 3.867 -7.551 1.00 0.00 H new ATOM 0 HG3 GLN A 20 12.423 5.305 -7.649 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.896 6.617 -9.294 1.00 0.00 H new ATOM 0 HE22 GLN A 20 14.501 6.847 -9.996 1.00 0.00 H new ATOM 381 N GLY A 21 12.161 2.404 -4.988 1.00 0.00 N ATOM 382 CA GLY A 21 12.362 0.994 -4.711 1.00 0.00 C ATOM 383 C GLY A 21 12.138 0.125 -5.933 1.00 0.00 C ATOM 384 O GLY A 21 11.480 0.543 -6.886 1.00 0.00 O ATOM 0 H GLY A 21 11.286 2.628 -5.462 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.376 0.841 -4.341 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.682 0.682 -3.918 1.00 0.00 H new ATOM 388 N GLU A 22 12.687 -1.084 -5.907 1.00 0.00 N ATOM 389 CA GLU A 22 12.546 -2.012 -7.024 1.00 0.00 C ATOM 390 C GLU A 22 11.637 -3.179 -6.650 1.00 0.00 C ATOM 391 O GLU A 22 11.762 -3.757 -5.570 1.00 0.00 O ATOM 392 CB GLU A 22 13.916 -2.536 -7.457 1.00 0.00 C ATOM 393 CG GLU A 22 13.844 -3.645 -8.493 1.00 0.00 C ATOM 394 CD GLU A 22 15.098 -4.496 -8.526 1.00 0.00 C ATOM 395 OE1 GLU A 22 16.146 -3.994 -8.982 1.00 0.00 O ATOM 396 OE2 GLU A 22 15.031 -5.666 -8.094 1.00 0.00 O ATOM 0 H GLU A 22 13.234 -1.445 -5.125 1.00 0.00 H new ATOM 0 HA GLU A 22 12.092 -1.473 -7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.500 -1.710 -7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.449 -2.904 -6.580 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.984 -4.280 -8.280 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.681 -3.207 -9.478 1.00 0.00 H new ATOM 403 N VAL A 23 10.721 -3.519 -7.551 1.00 0.00 N ATOM 404 CA VAL A 23 9.790 -4.618 -7.317 1.00 0.00 C ATOM 405 C VAL A 23 10.528 -5.946 -7.194 1.00 0.00 C ATOM 406 O VAL A 23 11.390 -6.267 -8.010 1.00 0.00 O ATOM 407 CB VAL A 23 8.751 -4.724 -8.448 1.00 0.00 C ATOM 408 CG1 VAL A 23 7.986 -6.034 -8.350 1.00 0.00 C ATOM 409 CG2 VAL A 23 7.800 -3.537 -8.411 1.00 0.00 C ATOM 0 H VAL A 23 10.603 -3.050 -8.449 1.00 0.00 H new ATOM 0 HA VAL A 23 9.276 -4.403 -6.380 1.00 0.00 H new ATOM 0 HB VAL A 23 9.277 -4.709 -9.403 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.256 -6.091 -9.158 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.682 -6.869 -8.431 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.470 -6.083 -7.391 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.072 -3.628 -9.217 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.280 -3.517 -7.453 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.366 -2.614 -8.536 1.00 0.00 H new ATOM 419 N ALA A 24 10.183 -6.715 -6.165 1.00 0.00 N ATOM 420 CA ALA A 24 10.810 -8.009 -5.936 1.00 0.00 C ATOM 421 C ALA A 24 9.785 -9.136 -6.003 1.00 0.00 C ATOM 422 O ALA A 24 10.134 -10.292 -6.237 1.00 0.00 O ATOM 423 CB ALA A 24 11.522 -8.020 -4.591 1.00 0.00 C ATOM 0 H ALA A 24 9.473 -6.463 -5.478 1.00 0.00 H new ATOM 0 HA ALA A 24 11.544 -8.174 -6.725 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.986 -8.993 -4.433 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.289 -7.246 -4.579 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.801 -7.828 -3.796 1.00 0.00 H new ATOM 429 N MET A 25 8.519 -8.791 -5.794 1.00 0.00 N ATOM 430 CA MET A 25 7.443 -9.774 -5.832 1.00 0.00 C ATOM 431 C MET A 25 6.151 -9.148 -6.346 1.00 0.00 C ATOM 432 O MET A 25 5.821 -8.012 -6.003 1.00 0.00 O ATOM 433 CB MET A 25 7.217 -10.367 -4.439 1.00 0.00 C ATOM 434 CG MET A 25 6.367 -11.628 -4.447 1.00 0.00 C ATOM 435 SD MET A 25 6.783 -12.754 -3.102 1.00 0.00 S ATOM 436 CE MET A 25 5.151 -13.178 -2.497 1.00 0.00 C ATOM 0 H MET A 25 8.213 -7.838 -5.597 1.00 0.00 H new ATOM 0 HA MET A 25 7.736 -10.570 -6.516 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.183 -10.593 -3.988 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.737 -9.619 -3.808 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.315 -11.353 -4.373 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.496 -12.142 -5.399 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.242 -13.871 -1.660 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.640 -12.274 -2.166 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.577 -13.647 -3.296 1.00 0.00 H new ATOM 446 N VAL A 26 5.423 -9.894 -7.171 1.00 0.00 N ATOM 447 CA VAL A 26 4.167 -9.411 -7.732 1.00 0.00 C ATOM 448 C VAL A 26 3.025 -10.375 -7.433 1.00 0.00 C ATOM 449 O VAL A 26 3.104 -11.564 -7.741 1.00 0.00 O ATOM 450 CB VAL A 26 4.272 -9.214 -9.256 1.00 0.00 C ATOM 451 CG1 VAL A 26 2.945 -8.734 -9.825 1.00 0.00 C ATOM 452 CG2 VAL A 26 5.390 -8.239 -9.591 1.00 0.00 C ATOM 0 H VAL A 26 5.682 -10.836 -7.466 1.00 0.00 H new ATOM 0 HA VAL A 26 3.960 -8.450 -7.262 1.00 0.00 H new ATOM 0 HB VAL A 26 4.510 -10.174 -9.714 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.038 -8.600 -10.903 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.171 -9.473 -9.617 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.674 -7.784 -9.364 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.450 -8.112 -10.672 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.185 -7.276 -9.123 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.337 -8.629 -9.219 1.00 0.00 H new ATOM 462 N THR A 27 1.962 -9.854 -6.828 1.00 0.00 N ATOM 463 CA THR A 27 0.802 -10.669 -6.485 1.00 0.00 C ATOM 464 C THR A 27 -0.488 -10.023 -6.977 1.00 0.00 C ATOM 465 O THR A 27 -0.525 -8.825 -7.261 1.00 0.00 O ATOM 466 CB THR A 27 0.703 -10.893 -4.965 1.00 0.00 C ATOM 467 OG1 THR A 27 0.476 -9.646 -4.299 1.00 0.00 O ATOM 468 CG2 THR A 27 1.973 -11.537 -4.429 1.00 0.00 C ATOM 0 H THR A 27 1.880 -8.872 -6.565 1.00 0.00 H new ATOM 0 HA THR A 27 0.935 -11.632 -6.979 1.00 0.00 H new ATOM 0 HB THR A 27 -0.134 -11.564 -4.773 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.187 -9.771 -3.588 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.880 -11.685 -3.353 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.126 -12.500 -4.916 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.824 -10.888 -4.633 1.00 0.00 H new ATOM 476 N ASP A 28 -1.544 -10.822 -7.077 1.00 0.00 N ATOM 477 CA ASP A 28 -2.838 -10.328 -7.533 1.00 0.00 C ATOM 478 C ASP A 28 -3.484 -9.438 -6.476 1.00 0.00 C ATOM 479 O ASP A 28 -4.590 -8.933 -6.667 1.00 0.00 O ATOM 480 CB ASP A 28 -3.765 -11.497 -7.870 1.00 0.00 C ATOM 481 CG ASP A 28 -3.132 -12.476 -8.839 1.00 0.00 C ATOM 482 OD1 ASP A 28 -2.682 -12.038 -9.918 1.00 0.00 O ATOM 483 OD2 ASP A 28 -3.088 -13.683 -8.517 1.00 0.00 O ATOM 0 H ASP A 28 -1.529 -11.816 -6.848 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.675 -9.733 -8.432 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.033 -12.020 -6.952 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.690 -11.112 -8.299 1.00 0.00 H new ATOM 488 N TYR A 29 -2.787 -9.253 -5.360 1.00 0.00 N ATOM 489 CA TYR A 29 -3.294 -8.428 -4.270 1.00 0.00 C ATOM 490 C TYR A 29 -2.316 -7.307 -3.935 1.00 0.00 C ATOM 491 O TYR A 29 -2.471 -6.611 -2.933 1.00 0.00 O ATOM 492 CB TYR A 29 -3.548 -9.286 -3.029 1.00 0.00 C ATOM 493 CG TYR A 29 -2.339 -10.073 -2.578 1.00 0.00 C ATOM 494 CD1 TYR A 29 -1.246 -9.436 -2.003 1.00 0.00 C ATOM 495 CD2 TYR A 29 -2.288 -11.454 -2.727 1.00 0.00 C ATOM 496 CE1 TYR A 29 -0.138 -10.151 -1.590 1.00 0.00 C ATOM 497 CE2 TYR A 29 -1.185 -12.176 -2.316 1.00 0.00 C ATOM 498 CZ TYR A 29 -0.112 -11.521 -1.749 1.00 0.00 C ATOM 499 OH TYR A 29 0.988 -12.237 -1.338 1.00 0.00 O ATOM 0 H TYR A 29 -1.869 -9.663 -5.187 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.234 -7.981 -4.593 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.876 -8.642 -2.213 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.364 -9.978 -3.237 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.263 -8.364 -1.877 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.125 -11.971 -3.172 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.703 -9.640 -1.145 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.163 -13.249 -2.438 1.00 0.00 H new ATOM 0 HH TYR A 29 0.845 -13.189 -1.520 1.00 0.00 H new ATOM 509 N GLY A 30 -1.306 -7.137 -4.784 1.00 0.00 N ATOM 510 CA GLY A 30 -0.317 -6.099 -4.562 1.00 0.00 C ATOM 511 C GLY A 30 1.067 -6.508 -5.028 1.00 0.00 C ATOM 512 O GLY A 30 1.223 -7.506 -5.730 1.00 0.00 O ATOM 0 H GLY A 30 -1.156 -7.700 -5.621 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.621 -5.193 -5.087 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.282 -5.855 -3.500 1.00 0.00 H new ATOM 516 N ALA A 31 2.074 -5.733 -4.638 1.00 0.00 N ATOM 517 CA ALA A 31 3.451 -6.020 -5.019 1.00 0.00 C ATOM 518 C ALA A 31 4.426 -5.557 -3.943 1.00 0.00 C ATOM 519 O ALA A 31 4.187 -4.560 -3.261 1.00 0.00 O ATOM 520 CB ALA A 31 3.778 -5.361 -6.351 1.00 0.00 C ATOM 0 H ALA A 31 1.961 -4.901 -4.058 1.00 0.00 H new ATOM 0 HA ALA A 31 3.555 -7.100 -5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.810 -5.584 -6.623 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.108 -5.745 -7.121 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.650 -4.282 -6.264 1.00 0.00 H new ATOM 526 N PHE A 32 5.528 -6.286 -3.795 1.00 0.00 N ATOM 527 CA PHE A 32 6.540 -5.951 -2.801 1.00 0.00 C ATOM 528 C PHE A 32 7.631 -5.075 -3.409 1.00 0.00 C ATOM 529 O PHE A 32 8.122 -5.349 -4.504 1.00 0.00 O ATOM 530 CB PHE A 32 7.156 -7.224 -2.220 1.00 0.00 C ATOM 531 CG PHE A 32 6.197 -8.032 -1.392 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.097 -8.637 -1.977 1.00 0.00 C ATOM 533 CD2 PHE A 32 6.396 -8.185 -0.029 1.00 0.00 C ATOM 534 CE1 PHE A 32 4.212 -9.381 -1.219 1.00 0.00 C ATOM 535 CE2 PHE A 32 5.516 -8.928 0.734 1.00 0.00 C ATOM 536 CZ PHE A 32 4.423 -9.525 0.139 1.00 0.00 C ATOM 0 H PHE A 32 5.742 -7.113 -4.352 1.00 0.00 H new ATOM 0 HA PHE A 32 6.055 -5.393 -2.000 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.529 -7.843 -3.036 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.015 -6.954 -1.606 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.929 -8.526 -3.038 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.248 -7.718 0.442 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.358 -9.848 -1.687 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.683 -9.042 1.795 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.733 -10.104 0.735 1.00 0.00 H new ATOM 546 N ILE A 33 8.005 -4.021 -2.691 1.00 0.00 N ATOM 547 CA ILE A 33 9.038 -3.106 -3.158 1.00 0.00 C ATOM 548 C ILE A 33 10.202 -3.043 -2.177 1.00 0.00 C ATOM 549 O ILE A 33 10.005 -2.926 -0.967 1.00 0.00 O ATOM 550 CB ILE A 33 8.479 -1.686 -3.366 1.00 0.00 C ATOM 551 CG1 ILE A 33 7.274 -1.720 -4.307 1.00 0.00 C ATOM 552 CG2 ILE A 33 9.560 -0.766 -3.916 1.00 0.00 C ATOM 553 CD1 ILE A 33 7.628 -2.090 -5.731 1.00 0.00 C ATOM 0 H ILE A 33 7.607 -3.780 -1.783 1.00 0.00 H new ATOM 0 HA ILE A 33 9.393 -3.492 -4.114 1.00 0.00 H new ATOM 0 HB ILE A 33 8.152 -1.297 -2.402 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.545 -2.435 -3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.793 -0.742 -4.303 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.149 0.234 -4.058 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.392 -0.721 -3.213 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.914 -1.152 -4.872 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.725 -2.094 -6.341 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.333 -1.362 -6.132 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.082 -3.081 -5.747 1.00 0.00 H new ATOM 565 N LYS A 34 11.420 -3.120 -2.705 1.00 0.00 N ATOM 566 CA LYS A 34 12.618 -3.070 -1.878 1.00 0.00 C ATOM 567 C LYS A 34 13.032 -1.627 -1.608 1.00 0.00 C ATOM 568 O LYS A 34 13.262 -0.852 -2.537 1.00 0.00 O ATOM 569 CB LYS A 34 13.765 -3.822 -2.557 1.00 0.00 C ATOM 570 CG LYS A 34 13.571 -5.328 -2.587 1.00 0.00 C ATOM 571 CD LYS A 34 14.894 -6.057 -2.758 1.00 0.00 C ATOM 572 CE LYS A 34 14.713 -7.374 -3.497 1.00 0.00 C ATOM 573 NZ LYS A 34 14.025 -8.392 -2.655 1.00 0.00 N ATOM 0 H LYS A 34 11.602 -3.217 -3.704 1.00 0.00 H new ATOM 0 HA LYS A 34 12.392 -3.550 -0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.873 -3.458 -3.579 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.696 -3.594 -2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.092 -5.653 -1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.900 -5.593 -3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.591 -5.424 -3.306 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.336 -6.245 -1.780 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.136 -7.204 -4.406 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.687 -7.755 -3.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.905 -9.270 -3.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.596 -8.586 -1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.092 -8.033 -2.369 1.00 0.00 H new ATOM 587 N ILE A 35 13.128 -1.273 -0.331 1.00 0.00 N ATOM 588 CA ILE A 35 13.517 0.076 0.061 1.00 0.00 C ATOM 589 C ILE A 35 14.997 0.322 -0.213 1.00 0.00 C ATOM 590 O ILE A 35 15.853 -0.518 0.061 1.00 0.00 O ATOM 591 CB ILE A 35 13.232 0.335 1.552 1.00 0.00 C ATOM 592 CG1 ILE A 35 11.733 0.218 1.835 1.00 0.00 C ATOM 593 CG2 ILE A 35 13.749 1.706 1.961 1.00 0.00 C ATOM 594 CD1 ILE A 35 11.410 -0.024 3.293 1.00 0.00 C ATOM 0 H ILE A 35 12.942 -1.902 0.450 1.00 0.00 H new ATOM 0 HA ILE A 35 12.919 0.763 -0.538 1.00 0.00 H new ATOM 0 HB ILE A 35 13.754 -0.418 2.142 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.237 1.132 1.508 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.322 -0.597 1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.540 1.873 3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.825 1.754 1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.254 2.474 1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.330 -0.096 3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 35 11.876 -0.953 3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 35 11.791 0.803 3.892 1.00 0.00 H new ATOM 606 N PRO A 36 15.307 1.504 -0.766 1.00 0.00 N ATOM 607 CA PRO A 36 16.686 1.891 -1.086 1.00 0.00 C ATOM 608 C PRO A 36 17.521 2.144 0.163 1.00 0.00 C ATOM 609 O PRO A 36 17.139 2.929 1.030 1.00 0.00 O ATOM 610 CB PRO A 36 16.514 3.184 -1.887 1.00 0.00 C ATOM 611 CG PRO A 36 15.209 3.741 -1.431 1.00 0.00 C ATOM 612 CD PRO A 36 14.339 2.555 -1.119 1.00 0.00 C ATOM 0 HA PRO A 36 17.215 1.106 -1.626 1.00 0.00 H new ATOM 0 HB2 PRO A 36 17.330 3.880 -1.695 1.00 0.00 H new ATOM 0 HB3 PRO A 36 16.508 2.988 -2.959 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.340 4.371 -0.551 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.758 4.363 -2.205 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.655 2.764 -0.296 1.00 0.00 H new ATOM 0 HD3 PRO A 36 13.729 2.268 -1.976 1.00 0.00 H new ATOM 620 N GLY A 37 18.667 1.474 0.250 1.00 0.00 N ATOM 621 CA GLY A 37 19.539 1.641 1.396 1.00 0.00 C ATOM 622 C GLY A 37 18.936 1.084 2.671 1.00 0.00 C ATOM 623 O GLY A 37 19.168 1.613 3.758 1.00 0.00 O ATOM 0 H GLY A 37 19.006 0.818 -0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 37 20.490 1.145 1.201 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.755 2.701 1.533 1.00 0.00 H new ATOM 627 N CYS A 38 18.160 0.014 2.536 1.00 0.00 N ATOM 628 CA CYS A 38 17.519 -0.614 3.686 1.00 0.00 C ATOM 629 C CYS A 38 17.518 -2.133 3.545 1.00 0.00 C ATOM 630 O CYS A 38 18.026 -2.676 2.564 1.00 0.00 O ATOM 631 CB CYS A 38 16.086 -0.103 3.840 1.00 0.00 C ATOM 632 SG CYS A 38 15.968 1.585 4.474 1.00 0.00 S ATOM 0 H CYS A 38 17.960 -0.436 1.643 1.00 0.00 H new ATOM 0 HA CYS A 38 18.088 -0.350 4.577 1.00 0.00 H new ATOM 0 HB2 CYS A 38 15.589 -0.151 2.871 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.544 -0.770 4.510 1.00 0.00 H new ATOM 0 HG CYS A 38 17.131 2.160 4.396 1.00 0.00 H new ATOM 638 N ARG A 39 16.946 -2.813 4.533 1.00 0.00 N ATOM 639 CA ARG A 39 16.881 -4.270 4.520 1.00 0.00 C ATOM 640 C ARG A 39 15.437 -4.750 4.412 1.00 0.00 C ATOM 641 O ARG A 39 15.113 -5.598 3.582 1.00 0.00 O ATOM 642 CB ARG A 39 17.527 -4.841 5.784 1.00 0.00 C ATOM 643 CG ARG A 39 18.141 -6.216 5.587 1.00 0.00 C ATOM 644 CD ARG A 39 19.579 -6.120 5.100 1.00 0.00 C ATOM 645 NE ARG A 39 19.999 -7.325 4.389 1.00 0.00 N ATOM 646 CZ ARG A 39 19.759 -7.538 3.100 1.00 0.00 C ATOM 647 NH1 ARG A 39 19.105 -6.633 2.385 1.00 0.00 N ATOM 648 NH2 ARG A 39 20.172 -8.660 2.524 1.00 0.00 N ATOM 0 H ARG A 39 16.521 -2.379 5.352 1.00 0.00 H new ATOM 0 HA ARG A 39 17.429 -4.625 3.647 1.00 0.00 H new ATOM 0 HB2 ARG A 39 18.299 -4.154 6.129 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.776 -4.898 6.572 1.00 0.00 H new ATOM 0 HG2 ARG A 39 18.110 -6.767 6.527 1.00 0.00 H new ATOM 0 HG3 ARG A 39 17.549 -6.780 4.867 1.00 0.00 H new ATOM 0 HD2 ARG A 39 19.682 -5.257 4.442 1.00 0.00 H new ATOM 0 HD3 ARG A 39 20.239 -5.953 5.951 1.00 0.00 H new ATOM 0 HE ARG A 39 20.504 -8.042 4.911 1.00 0.00 H new ATOM 0 HH11 ARG A 39 18.785 -5.770 2.825 1.00 0.00 H new ATOM 0 HH12 ARG A 39 18.922 -6.800 1.395 1.00 0.00 H new ATOM 0 HH21 ARG A 39 20.674 -9.359 3.071 1.00 0.00 H new ATOM 0 HH22 ARG A 39 19.987 -8.823 1.534 1.00 0.00 H new ATOM 662 N LYS A 40 14.572 -4.201 5.259 1.00 0.00 N ATOM 663 CA LYS A 40 13.162 -4.572 5.260 1.00 0.00 C ATOM 664 C LYS A 40 12.457 -4.031 4.019 1.00 0.00 C ATOM 665 O LYS A 40 12.853 -3.005 3.468 1.00 0.00 O ATOM 666 CB LYS A 40 12.475 -4.042 6.521 1.00 0.00 C ATOM 667 CG LYS A 40 12.513 -5.014 7.687 1.00 0.00 C ATOM 668 CD LYS A 40 11.695 -6.262 7.401 1.00 0.00 C ATOM 669 CE LYS A 40 11.550 -7.131 8.640 1.00 0.00 C ATOM 670 NZ LYS A 40 12.712 -8.045 8.815 1.00 0.00 N ATOM 0 H LYS A 40 14.823 -3.497 5.954 1.00 0.00 H new ATOM 0 HA LYS A 40 13.098 -5.660 5.249 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.953 -3.109 6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.436 -3.807 6.288 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.546 -5.295 7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.130 -4.524 8.582 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.708 -5.976 7.039 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.172 -6.836 6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.452 -6.495 9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.634 -7.718 8.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.575 -8.620 9.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.791 -8.669 7.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.583 -7.485 8.910 1.00 0.00 H new ATOM 684 N GLN A 41 11.410 -4.728 3.588 1.00 0.00 N ATOM 685 CA GLN A 41 10.650 -4.316 2.414 1.00 0.00 C ATOM 686 C GLN A 41 9.212 -3.977 2.788 1.00 0.00 C ATOM 687 O GLN A 41 8.746 -4.314 3.876 1.00 0.00 O ATOM 688 CB GLN A 41 10.669 -5.420 1.355 1.00 0.00 C ATOM 689 CG GLN A 41 12.067 -5.899 0.999 1.00 0.00 C ATOM 690 CD GLN A 41 12.055 -7.089 0.061 1.00 0.00 C ATOM 691 OE1 GLN A 41 11.084 -7.314 -0.663 1.00 0.00 O ATOM 692 NE2 GLN A 41 13.137 -7.860 0.067 1.00 0.00 N ATOM 0 H GLN A 41 11.069 -5.580 4.034 1.00 0.00 H new ATOM 0 HA GLN A 41 11.119 -3.422 2.004 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.085 -6.267 1.715 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.179 -5.055 0.453 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.620 -5.082 0.536 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.599 -6.166 1.912 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.919 -7.637 0.683 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.186 -8.675 -0.544 1.00 0.00 H new ATOM 701 N GLY A 42 8.511 -3.308 1.877 1.00 0.00 N ATOM 702 CA GLY A 42 7.132 -2.933 2.131 1.00 0.00 C ATOM 703 C GLY A 42 6.184 -3.460 1.070 1.00 0.00 C ATOM 704 O GLY A 42 6.545 -3.552 -0.104 1.00 0.00 O ATOM 0 H GLY A 42 8.873 -3.019 0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.829 -3.313 3.106 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.056 -1.847 2.175 1.00 0.00 H new ATOM 708 N LEU A 43 4.970 -3.806 1.484 1.00 0.00 N ATOM 709 CA LEU A 43 3.968 -4.327 0.560 1.00 0.00 C ATOM 710 C LEU A 43 3.034 -3.217 0.088 1.00 0.00 C ATOM 711 O LEU A 43 2.620 -2.364 0.872 1.00 0.00 O ATOM 712 CB LEU A 43 3.160 -5.439 1.229 1.00 0.00 C ATOM 713 CG LEU A 43 1.864 -5.845 0.524 1.00 0.00 C ATOM 714 CD1 LEU A 43 2.164 -6.730 -0.676 1.00 0.00 C ATOM 715 CD2 LEU A 43 0.930 -6.556 1.492 1.00 0.00 C ATOM 0 H LEU A 43 4.656 -3.735 2.452 1.00 0.00 H new ATOM 0 HA LEU A 43 4.486 -4.734 -0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.795 -6.321 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.915 -5.123 2.243 1.00 0.00 H new ATOM 0 HG LEU A 43 1.368 -4.942 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.231 -7.009 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.794 -6.187 -1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.683 -7.629 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.014 -6.837 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.418 -7.451 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.688 -5.890 2.320 1.00 0.00 H new ATOM 727 N VAL A 44 2.704 -3.237 -1.200 1.00 0.00 N ATOM 728 CA VAL A 44 1.815 -2.235 -1.777 1.00 0.00 C ATOM 729 C VAL A 44 0.494 -2.858 -2.214 1.00 0.00 C ATOM 730 O VAL A 44 0.433 -3.571 -3.217 1.00 0.00 O ATOM 731 CB VAL A 44 2.466 -1.537 -2.986 1.00 0.00 C ATOM 732 CG1 VAL A 44 1.502 -0.542 -3.611 1.00 0.00 C ATOM 733 CG2 VAL A 44 3.760 -0.852 -2.572 1.00 0.00 C ATOM 0 H VAL A 44 3.039 -3.936 -1.863 1.00 0.00 H new ATOM 0 HA VAL A 44 1.624 -1.496 -0.999 1.00 0.00 H new ATOM 0 HB VAL A 44 2.705 -2.292 -3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.980 -0.059 -4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.606 -1.065 -3.945 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.228 0.212 -2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.207 -0.364 -3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.548 -0.107 -1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.454 -1.594 -2.176 1.00 0.00 H new ATOM 743 N HIS A 45 -0.562 -2.585 -1.455 1.00 0.00 N ATOM 744 CA HIS A 45 -1.884 -3.118 -1.764 1.00 0.00 C ATOM 745 C HIS A 45 -2.282 -2.786 -3.200 1.00 0.00 C ATOM 746 O HIS A 45 -1.892 -1.749 -3.738 1.00 0.00 O ATOM 747 CB HIS A 45 -2.923 -2.557 -0.793 1.00 0.00 C ATOM 748 CG HIS A 45 -4.085 -3.475 -0.563 1.00 0.00 C ATOM 749 ND1 HIS A 45 -5.244 -3.078 0.069 1.00 0.00 N ATOM 750 CD2 HIS A 45 -4.261 -4.778 -0.887 1.00 0.00 C ATOM 751 CE1 HIS A 45 -6.082 -4.097 0.126 1.00 0.00 C ATOM 752 NE2 HIS A 45 -5.511 -5.140 -0.447 1.00 0.00 N ATOM 0 H HIS A 45 -0.528 -1.998 -0.622 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.845 -4.202 -1.657 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.441 -2.349 0.162 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.292 -1.606 -1.178 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.552 -5.414 -1.396 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.068 -4.080 0.567 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.930 -6.065 -0.547 1.00 0.00 H new ATOM 760 N ARG A 46 -3.057 -3.673 -3.814 1.00 0.00 N ATOM 761 CA ARG A 46 -3.505 -3.475 -5.188 1.00 0.00 C ATOM 762 C ARG A 46 -4.298 -2.179 -5.319 1.00 0.00 C ATOM 763 O ARG A 46 -4.282 -1.530 -6.365 1.00 0.00 O ATOM 764 CB ARG A 46 -4.361 -4.658 -5.642 1.00 0.00 C ATOM 765 CG ARG A 46 -5.799 -4.593 -5.154 1.00 0.00 C ATOM 766 CD ARG A 46 -5.902 -4.944 -3.679 1.00 0.00 C ATOM 767 NE ARG A 46 -7.185 -5.563 -3.351 1.00 0.00 N ATOM 768 CZ ARG A 46 -8.347 -4.925 -3.423 1.00 0.00 C ATOM 769 NH1 ARG A 46 -8.389 -3.657 -3.810 1.00 0.00 N ATOM 770 NH2 ARG A 46 -9.471 -5.556 -3.110 1.00 0.00 N ATOM 0 H ARG A 46 -3.388 -4.536 -3.383 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.624 -3.407 -5.826 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.358 -4.701 -6.731 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.907 -5.582 -5.285 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.196 -3.591 -5.319 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.414 -5.279 -5.736 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.093 -5.623 -3.411 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.772 -4.042 -3.082 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.188 -6.538 -3.051 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.527 -3.169 -4.053 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.283 -3.170 -3.864 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.443 -6.532 -2.814 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.364 -5.066 -3.165 1.00 0.00 H new ATOM 784 N THR A 47 -4.995 -1.806 -4.249 1.00 0.00 N ATOM 785 CA THR A 47 -5.797 -0.588 -4.245 1.00 0.00 C ATOM 786 C THR A 47 -4.914 0.651 -4.346 1.00 0.00 C ATOM 787 O THR A 47 -5.330 1.679 -4.882 1.00 0.00 O ATOM 788 CB THR A 47 -6.659 -0.488 -2.972 1.00 0.00 C ATOM 789 OG1 THR A 47 -7.583 0.599 -3.092 1.00 0.00 O ATOM 790 CG2 THR A 47 -5.787 -0.286 -1.742 1.00 0.00 C ATOM 0 H THR A 47 -5.020 -2.330 -3.374 1.00 0.00 H new ATOM 0 HA THR A 47 -6.451 -0.637 -5.115 1.00 0.00 H new ATOM 0 HB THR A 47 -7.209 -1.422 -2.857 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.129 0.656 -2.280 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.418 -0.218 -0.856 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.104 -1.129 -1.638 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.213 0.634 -1.850 1.00 0.00 H new ATOM 798 N HIS A 48 -3.694 0.547 -3.830 1.00 0.00 N ATOM 799 CA HIS A 48 -2.752 1.660 -3.863 1.00 0.00 C ATOM 800 C HIS A 48 -1.943 1.649 -5.157 1.00 0.00 C ATOM 801 O HIS A 48 -1.316 2.644 -5.517 1.00 0.00 O ATOM 802 CB HIS A 48 -1.812 1.597 -2.660 1.00 0.00 C ATOM 803 CG HIS A 48 -2.435 2.081 -1.387 1.00 0.00 C ATOM 804 ND1 HIS A 48 -2.715 3.409 -1.143 1.00 0.00 N ATOM 805 CD2 HIS A 48 -2.835 1.406 -0.284 1.00 0.00 C ATOM 806 CE1 HIS A 48 -3.257 3.530 0.055 1.00 0.00 C ATOM 807 NE2 HIS A 48 -3.342 2.328 0.598 1.00 0.00 N ATOM 0 H HIS A 48 -3.334 -0.297 -3.384 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.323 2.588 -3.820 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.479 0.568 -2.523 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.925 2.194 -2.871 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.768 0.340 -0.127 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.577 4.454 0.513 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.722 2.119 1.521 1.00 0.00 H new ATOM 815 N MET A 49 -1.964 0.516 -5.851 1.00 0.00 N ATOM 816 CA MET A 49 -1.231 0.375 -7.105 1.00 0.00 C ATOM 817 C MET A 49 -1.912 1.160 -8.222 1.00 0.00 C ATOM 818 O MET A 49 -1.259 1.895 -8.964 1.00 0.00 O ATOM 819 CB MET A 49 -1.124 -1.101 -7.495 1.00 0.00 C ATOM 820 CG MET A 49 -0.156 -1.889 -6.629 1.00 0.00 C ATOM 821 SD MET A 49 -0.028 -3.617 -7.127 1.00 0.00 S ATOM 822 CE MET A 49 1.317 -3.531 -8.306 1.00 0.00 C ATOM 0 H MET A 49 -2.480 -0.317 -5.567 1.00 0.00 H new ATOM 0 HA MET A 49 -0.229 0.778 -6.959 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.111 -1.558 -7.430 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.808 -1.171 -8.536 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.830 -1.426 -6.679 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.480 -1.837 -5.589 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.516 -4.526 -8.704 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.044 -2.862 -9.122 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.211 -3.153 -7.811 1.00 0.00 H new ATOM 832 N SER A 50 -3.227 1.000 -8.336 1.00 0.00 N ATOM 833 CA SER A 50 -3.994 1.692 -9.366 1.00 0.00 C ATOM 834 C SER A 50 -4.832 2.813 -8.758 1.00 0.00 C ATOM 835 O SER A 50 -4.938 2.932 -7.538 1.00 0.00 O ATOM 836 CB SER A 50 -4.901 0.705 -10.105 1.00 0.00 C ATOM 837 OG SER A 50 -4.269 -0.555 -10.253 1.00 0.00 O ATOM 0 H SER A 50 -3.783 0.398 -7.729 1.00 0.00 H new ATOM 0 HA SER A 50 -3.292 2.131 -10.075 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.836 0.585 -9.557 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.156 1.105 -11.086 1.00 0.00 H new ATOM 0 HG SER A 50 -4.796 -1.116 -10.860 1.00 0.00 H new ATOM 843 N SER A 51 -5.425 3.632 -9.620 1.00 0.00 N ATOM 844 CA SER A 51 -6.251 4.747 -9.169 1.00 0.00 C ATOM 845 C SER A 51 -7.327 4.269 -8.199 1.00 0.00 C ATOM 846 O SER A 51 -7.277 4.566 -7.004 1.00 0.00 O ATOM 847 CB SER A 51 -6.901 5.444 -10.366 1.00 0.00 C ATOM 848 OG SER A 51 -6.003 6.357 -10.974 1.00 0.00 O ATOM 0 H SER A 51 -5.350 3.545 -10.633 1.00 0.00 H new ATOM 0 HA SER A 51 -5.607 5.457 -8.649 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.218 4.699 -11.096 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.797 5.972 -10.041 1.00 0.00 H new ATOM 0 HG SER A 51 -6.441 6.788 -11.737 1.00 0.00 H new ATOM 854 N CYS A 52 -8.297 3.527 -8.721 1.00 0.00 N ATOM 855 CA CYS A 52 -9.387 3.007 -7.901 1.00 0.00 C ATOM 856 C CYS A 52 -9.547 1.504 -8.100 1.00 0.00 C ATOM 857 O CYS A 52 -9.233 0.713 -7.210 1.00 0.00 O ATOM 858 CB CYS A 52 -10.695 3.722 -8.243 1.00 0.00 C ATOM 859 SG CYS A 52 -12.117 3.158 -7.279 1.00 0.00 S ATOM 0 H CYS A 52 -8.352 3.272 -9.707 1.00 0.00 H new ATOM 0 HA CYS A 52 -9.143 3.192 -6.855 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -10.564 4.792 -8.085 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -10.908 3.580 -9.302 1.00 0.00 H new ATOM 0 HG CYS A 52 -13.175 3.822 -7.638 1.00 0.00 H new ATOM 865 N ARG A 53 -10.039 1.117 -9.272 1.00 0.00 N ATOM 866 CA ARG A 53 -10.244 -0.292 -9.587 1.00 0.00 C ATOM 867 C ARG A 53 -8.925 -0.966 -9.951 1.00 0.00 C ATOM 868 O ARG A 53 -8.106 -0.400 -10.676 1.00 0.00 O ATOM 869 CB ARG A 53 -11.239 -0.440 -10.740 1.00 0.00 C ATOM 870 CG ARG A 53 -11.700 -1.870 -10.967 1.00 0.00 C ATOM 871 CD ARG A 53 -12.294 -2.049 -12.356 1.00 0.00 C ATOM 872 NE ARG A 53 -11.302 -1.838 -13.407 1.00 0.00 N ATOM 873 CZ ARG A 53 -11.614 -1.626 -14.680 1.00 0.00 C ATOM 874 NH1 ARG A 53 -12.885 -1.595 -15.058 1.00 0.00 N ATOM 875 NH2 ARG A 53 -10.655 -1.443 -15.578 1.00 0.00 N ATOM 0 H ARG A 53 -10.303 1.759 -10.019 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.649 -0.780 -8.701 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -12.109 0.186 -10.541 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.780 -0.066 -11.655 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -10.857 -2.550 -10.840 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.442 -2.138 -10.215 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.709 -3.053 -12.446 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.119 -1.349 -12.490 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.315 -1.854 -13.149 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.625 -1.734 -14.370 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.122 -1.432 -16.037 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.676 -1.465 -15.291 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.896 -1.280 -16.556 1.00 0.00 H new ATOM 889 N VAL A 54 -8.724 -2.177 -9.441 1.00 0.00 N ATOM 890 CA VAL A 54 -7.504 -2.928 -9.713 1.00 0.00 C ATOM 891 C VAL A 54 -7.824 -4.331 -10.220 1.00 0.00 C ATOM 892 O VAL A 54 -7.907 -5.279 -9.440 1.00 0.00 O ATOM 893 CB VAL A 54 -6.622 -3.037 -8.455 1.00 0.00 C ATOM 894 CG1 VAL A 54 -5.241 -3.565 -8.816 1.00 0.00 C ATOM 895 CG2 VAL A 54 -6.521 -1.691 -7.757 1.00 0.00 C ATOM 0 H VAL A 54 -9.390 -2.659 -8.837 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.960 -2.382 -10.484 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.087 -3.743 -7.767 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.631 -3.635 -7.915 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.336 -4.552 -9.268 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.765 -2.886 -9.524 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.894 -1.787 -6.870 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.080 -0.961 -8.436 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.516 -1.358 -7.463 1.00 0.00 H new ATOM 905 N ASP A 55 -8.000 -4.453 -11.530 1.00 0.00 N ATOM 906 CA ASP A 55 -8.309 -5.740 -12.144 1.00 0.00 C ATOM 907 C ASP A 55 -7.160 -6.724 -11.948 1.00 0.00 C ATOM 908 O ASP A 55 -7.288 -7.707 -11.218 1.00 0.00 O ATOM 909 CB ASP A 55 -8.597 -5.562 -13.635 1.00 0.00 C ATOM 910 CG ASP A 55 -9.058 -6.848 -14.293 1.00 0.00 C ATOM 911 OD1 ASP A 55 -8.312 -7.847 -14.230 1.00 0.00 O ATOM 912 OD2 ASP A 55 -10.166 -6.856 -14.870 1.00 0.00 O ATOM 0 H ASP A 55 -7.934 -3.677 -12.188 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.197 -6.144 -11.657 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.362 -4.796 -13.766 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.698 -5.203 -14.136 1.00 0.00 H new ATOM 917 N LYS A 56 -6.039 -6.454 -12.607 1.00 0.00 N ATOM 918 CA LYS A 56 -4.866 -7.316 -12.506 1.00 0.00 C ATOM 919 C LYS A 56 -3.604 -6.491 -12.276 1.00 0.00 C ATOM 920 O LYS A 56 -2.997 -5.967 -13.210 1.00 0.00 O ATOM 921 CB LYS A 56 -4.715 -8.156 -13.777 1.00 0.00 C ATOM 922 CG LYS A 56 -5.412 -9.502 -13.703 1.00 0.00 C ATOM 923 CD LYS A 56 -4.622 -10.494 -12.866 1.00 0.00 C ATOM 924 CE LYS A 56 -5.330 -11.838 -12.778 1.00 0.00 C ATOM 925 NZ LYS A 56 -6.346 -11.860 -11.689 1.00 0.00 N ATOM 0 H LYS A 56 -5.917 -5.646 -13.217 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.005 -7.980 -11.653 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.114 -7.596 -14.622 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.655 -8.316 -13.973 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.407 -9.375 -13.275 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.546 -9.899 -14.709 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.632 -10.631 -13.301 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.477 -10.092 -11.863 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.813 -12.057 -13.730 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.596 -12.625 -12.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.806 -12.792 -11.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.881 -11.677 -10.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.061 -11.126 -11.867 1.00 0.00 H new ATOM 939 N PRO A 57 -3.197 -6.374 -11.003 1.00 0.00 N ATOM 940 CA PRO A 57 -2.002 -5.615 -10.621 1.00 0.00 C ATOM 941 C PRO A 57 -0.715 -6.297 -11.073 1.00 0.00 C ATOM 942 O PRO A 57 0.359 -5.695 -11.048 1.00 0.00 O ATOM 943 CB PRO A 57 -2.079 -5.577 -9.094 1.00 0.00 C ATOM 944 CG PRO A 57 -2.881 -6.777 -8.725 1.00 0.00 C ATOM 945 CD PRO A 57 -3.872 -6.971 -9.840 1.00 0.00 C ATOM 0 HA PRO A 57 -1.980 -4.629 -11.084 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.086 -5.612 -8.647 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.554 -4.660 -8.744 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.243 -7.654 -8.613 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.389 -6.629 -7.772 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.094 -8.026 -10.002 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.819 -6.475 -9.627 1.00 0.00 H new ATOM 953 N SER A 58 -0.829 -7.555 -11.486 1.00 0.00 N ATOM 954 CA SER A 58 0.327 -8.319 -11.940 1.00 0.00 C ATOM 955 C SER A 58 0.709 -7.930 -13.364 1.00 0.00 C ATOM 956 O SER A 58 1.742 -8.357 -13.879 1.00 0.00 O ATOM 957 CB SER A 58 0.033 -9.819 -11.870 1.00 0.00 C ATOM 958 OG SER A 58 -0.891 -10.204 -12.873 1.00 0.00 O ATOM 0 H SER A 58 -1.711 -8.067 -11.516 1.00 0.00 H new ATOM 0 HA SER A 58 1.165 -8.089 -11.282 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.960 -10.381 -11.990 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.367 -10.069 -10.887 1.00 0.00 H new ATOM 0 HG SER A 58 -1.061 -11.167 -12.809 1.00 0.00 H new ATOM 964 N GLU A 59 -0.132 -7.117 -13.996 1.00 0.00 N ATOM 965 CA GLU A 59 0.117 -6.671 -15.362 1.00 0.00 C ATOM 966 C GLU A 59 0.515 -5.198 -15.389 1.00 0.00 C ATOM 967 O GLU A 59 0.839 -4.651 -16.444 1.00 0.00 O ATOM 968 CB GLU A 59 -1.125 -6.891 -16.229 1.00 0.00 C ATOM 969 CG GLU A 59 -1.519 -8.352 -16.368 1.00 0.00 C ATOM 970 CD GLU A 59 -0.372 -9.222 -16.847 1.00 0.00 C ATOM 971 OE1 GLU A 59 0.083 -9.024 -17.993 1.00 0.00 O ATOM 972 OE2 GLU A 59 0.068 -10.102 -16.077 1.00 0.00 O ATOM 0 H GLU A 59 -0.991 -6.754 -13.584 1.00 0.00 H new ATOM 0 HA GLU A 59 0.941 -7.260 -15.765 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.960 -6.337 -15.800 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.944 -6.476 -17.221 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.874 -8.722 -15.406 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.350 -8.435 -17.068 1.00 0.00 H new ATOM 979 N ILE A 60 0.487 -4.562 -14.223 1.00 0.00 N ATOM 980 CA ILE A 60 0.845 -3.153 -14.113 1.00 0.00 C ATOM 981 C ILE A 60 2.347 -2.983 -13.908 1.00 0.00 C ATOM 982 O ILE A 60 2.939 -2.006 -14.367 1.00 0.00 O ATOM 983 CB ILE A 60 0.099 -2.473 -12.950 1.00 0.00 C ATOM 984 CG1 ILE A 60 -1.401 -2.760 -13.039 1.00 0.00 C ATOM 985 CG2 ILE A 60 0.358 -0.974 -12.961 1.00 0.00 C ATOM 986 CD1 ILE A 60 -2.205 -2.130 -11.924 1.00 0.00 C ATOM 0 H ILE A 60 0.220 -5.000 -13.341 1.00 0.00 H new ATOM 0 HA ILE A 60 0.552 -2.678 -15.049 1.00 0.00 H new ATOM 0 HB ILE A 60 0.472 -2.881 -12.011 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.776 -2.397 -13.996 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.558 -3.839 -13.024 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.176 -0.506 -12.133 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.427 -0.789 -12.855 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.009 -0.551 -13.903 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.259 -2.376 -12.052 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.857 -2.512 -10.964 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.079 -1.048 -11.951 1.00 0.00 H new ATOM 998 N VAL A 61 2.957 -3.941 -13.219 1.00 0.00 N ATOM 999 CA VAL A 61 4.391 -3.899 -12.956 1.00 0.00 C ATOM 1000 C VAL A 61 5.042 -5.247 -13.242 1.00 0.00 C ATOM 1001 O VAL A 61 4.390 -6.174 -13.724 1.00 0.00 O ATOM 1002 CB VAL A 61 4.683 -3.499 -11.497 1.00 0.00 C ATOM 1003 CG1 VAL A 61 4.056 -2.150 -11.178 1.00 0.00 C ATOM 1004 CG2 VAL A 61 4.180 -4.569 -10.541 1.00 0.00 C ATOM 0 H VAL A 61 2.481 -4.756 -12.832 1.00 0.00 H new ATOM 0 HA VAL A 61 4.813 -3.147 -13.622 1.00 0.00 H new ATOM 0 HB VAL A 61 5.762 -3.410 -11.371 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.272 -1.884 -10.143 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.469 -1.391 -11.842 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.977 -2.208 -11.320 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.395 -4.270 -9.515 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.104 -4.692 -10.666 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.680 -5.513 -10.756 1.00 0.00 H new ATOM 1014 N ASP A 62 6.332 -5.350 -12.941 1.00 0.00 N ATOM 1015 CA ASP A 62 7.072 -6.587 -13.163 1.00 0.00 C ATOM 1016 C ASP A 62 8.364 -6.600 -12.352 1.00 0.00 C ATOM 1017 O ASP A 62 9.051 -5.584 -12.243 1.00 0.00 O ATOM 1018 CB ASP A 62 7.387 -6.758 -14.650 1.00 0.00 C ATOM 1019 CG ASP A 62 6.257 -6.277 -15.539 1.00 0.00 C ATOM 1020 OD1 ASP A 62 6.222 -5.068 -15.854 1.00 0.00 O ATOM 1021 OD2 ASP A 62 5.409 -7.109 -15.923 1.00 0.00 O ATOM 0 H ASP A 62 6.887 -4.592 -12.543 1.00 0.00 H new ATOM 0 HA ASP A 62 6.449 -7.418 -12.834 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.296 -6.207 -14.892 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.587 -7.809 -14.858 1.00 0.00 H new ATOM 1026 N VAL A 63 8.689 -7.757 -11.785 1.00 0.00 N ATOM 1027 CA VAL A 63 9.899 -7.903 -10.983 1.00 0.00 C ATOM 1028 C VAL A 63 11.116 -7.356 -11.721 1.00 0.00 C ATOM 1029 O VAL A 63 11.464 -7.829 -12.802 1.00 0.00 O ATOM 1030 CB VAL A 63 10.155 -9.377 -10.617 1.00 0.00 C ATOM 1031 CG1 VAL A 63 11.464 -9.518 -9.856 1.00 0.00 C ATOM 1032 CG2 VAL A 63 8.994 -9.933 -9.806 1.00 0.00 C ATOM 0 H VAL A 63 8.132 -8.607 -11.866 1.00 0.00 H new ATOM 0 HA VAL A 63 9.744 -7.331 -10.068 1.00 0.00 H new ATOM 0 HB VAL A 63 10.234 -9.954 -11.538 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.628 -10.566 -9.606 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.286 -9.160 -10.476 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.417 -8.929 -8.940 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.191 -10.975 -9.556 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.881 -9.355 -8.889 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.077 -9.868 -10.391 1.00 0.00 H new ATOM 1042 N GLY A 64 11.759 -6.354 -11.128 1.00 0.00 N ATOM 1043 CA GLY A 64 12.930 -5.758 -11.743 1.00 0.00 C ATOM 1044 C GLY A 64 12.728 -4.294 -12.078 1.00 0.00 C ATOM 1045 O GLY A 64 13.694 -3.549 -12.246 1.00 0.00 O ATOM 0 H GLY A 64 11.490 -5.945 -10.233 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.781 -5.859 -11.070 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.177 -6.305 -12.653 1.00 0.00 H new ATOM 1049 N ASP A 65 11.469 -3.880 -12.179 1.00 0.00 N ATOM 1050 CA ASP A 65 11.143 -2.495 -12.497 1.00 0.00 C ATOM 1051 C ASP A 65 11.169 -1.628 -11.242 1.00 0.00 C ATOM 1052 O ASP A 65 10.593 -1.986 -10.215 1.00 0.00 O ATOM 1053 CB ASP A 65 9.767 -2.412 -13.160 1.00 0.00 C ATOM 1054 CG ASP A 65 9.755 -3.031 -14.545 1.00 0.00 C ATOM 1055 OD1 ASP A 65 10.071 -4.233 -14.661 1.00 0.00 O ATOM 1056 OD2 ASP A 65 9.426 -2.312 -15.512 1.00 0.00 O ATOM 0 H ASP A 65 10.658 -4.484 -12.045 1.00 0.00 H new ATOM 0 HA ASP A 65 11.896 -2.121 -13.191 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.033 -2.918 -12.532 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.462 -1.368 -13.229 1.00 0.00 H new ATOM 1061 N LYS A 66 11.843 -0.486 -11.332 1.00 0.00 N ATOM 1062 CA LYS A 66 11.944 0.433 -10.205 1.00 0.00 C ATOM 1063 C LYS A 66 10.868 1.511 -10.283 1.00 0.00 C ATOM 1064 O LYS A 66 10.622 2.081 -11.347 1.00 0.00 O ATOM 1065 CB LYS A 66 13.330 1.082 -10.174 1.00 0.00 C ATOM 1066 CG LYS A 66 13.333 2.481 -9.583 1.00 0.00 C ATOM 1067 CD LYS A 66 13.146 3.540 -10.655 1.00 0.00 C ATOM 1068 CE LYS A 66 14.479 4.006 -11.219 1.00 0.00 C ATOM 1069 NZ LYS A 66 14.345 4.513 -12.612 1.00 0.00 N ATOM 0 H LYS A 66 12.327 -0.175 -12.174 1.00 0.00 H new ATOM 0 HA LYS A 66 11.795 -0.138 -9.288 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.005 0.451 -9.596 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.725 1.125 -11.189 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.537 2.566 -8.844 1.00 0.00 H new ATOM 0 HG3 LYS A 66 14.274 2.654 -9.060 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.530 3.139 -11.460 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.609 4.392 -10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.887 4.792 -10.584 1.00 0.00 H new ATOM 0 HE3 LYS A 66 15.190 3.180 -11.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.275 4.821 -12.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.980 3.755 -13.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.686 5.318 -12.627 1.00 0.00 H new ATOM 1083 N VAL A 67 10.232 1.789 -9.150 1.00 0.00 N ATOM 1084 CA VAL A 67 9.184 2.802 -9.091 1.00 0.00 C ATOM 1085 C VAL A 67 9.267 3.602 -7.796 1.00 0.00 C ATOM 1086 O VAL A 67 9.999 3.238 -6.875 1.00 0.00 O ATOM 1087 CB VAL A 67 7.784 2.168 -9.201 1.00 0.00 C ATOM 1088 CG1 VAL A 67 7.660 1.368 -10.489 1.00 0.00 C ATOM 1089 CG2 VAL A 67 7.499 1.292 -7.991 1.00 0.00 C ATOM 0 H VAL A 67 10.424 1.328 -8.261 1.00 0.00 H new ATOM 0 HA VAL A 67 9.340 3.470 -9.938 1.00 0.00 H new ATOM 0 HB VAL A 67 7.043 2.967 -9.225 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.665 0.928 -10.549 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.818 2.027 -11.343 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.409 0.576 -10.499 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.506 0.853 -8.086 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.243 0.498 -7.933 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.543 1.897 -7.085 1.00 0.00 H new ATOM 1099 N TRP A 68 8.510 4.692 -7.732 1.00 0.00 N ATOM 1100 CA TRP A 68 8.498 5.545 -6.548 1.00 0.00 C ATOM 1101 C TRP A 68 7.283 5.247 -5.676 1.00 0.00 C ATOM 1102 O TRP A 68 6.154 5.194 -6.163 1.00 0.00 O ATOM 1103 CB TRP A 68 8.499 7.018 -6.956 1.00 0.00 C ATOM 1104 CG TRP A 68 9.771 7.451 -7.618 1.00 0.00 C ATOM 1105 CD1 TRP A 68 10.020 7.507 -8.960 1.00 0.00 C ATOM 1106 CD2 TRP A 68 10.971 7.885 -6.968 1.00 0.00 C ATOM 1107 NE1 TRP A 68 11.301 7.950 -9.183 1.00 0.00 N ATOM 1108 CE2 TRP A 68 11.905 8.191 -7.977 1.00 0.00 C ATOM 1109 CE3 TRP A 68 11.346 8.049 -5.631 1.00 0.00 C ATOM 1110 CZ2 TRP A 68 13.188 8.648 -7.690 1.00 0.00 C ATOM 1111 CZ3 TRP A 68 12.620 8.502 -5.348 1.00 0.00 C ATOM 1112 CH2 TRP A 68 13.529 8.798 -6.373 1.00 0.00 C ATOM 0 H TRP A 68 7.897 5.006 -8.485 1.00 0.00 H new ATOM 0 HA TRP A 68 9.398 5.335 -5.970 1.00 0.00 H new ATOM 0 HB2 TRP A 68 7.665 7.200 -7.634 1.00 0.00 H new ATOM 0 HB3 TRP A 68 8.331 7.632 -6.072 1.00 0.00 H new ATOM 0 HD1 TRP A 68 9.313 7.242 -9.732 1.00 0.00 H new ATOM 0 HE1 TRP A 68 11.733 8.079 -10.098 1.00 0.00 H new ATOM 0 HE3 TRP A 68 10.652 7.826 -4.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 13.890 8.876 -8.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 12.921 8.630 -4.319 1.00 0.00 H new ATOM 0 HH2 TRP A 68 14.517 9.151 -6.119 1.00 0.00 H new ATOM 1123 N VAL A 69 7.523 5.052 -4.382 1.00 0.00 N ATOM 1124 CA VAL A 69 6.448 4.760 -3.441 1.00 0.00 C ATOM 1125 C VAL A 69 6.519 5.674 -2.224 1.00 0.00 C ATOM 1126 O VAL A 69 7.578 6.212 -1.900 1.00 0.00 O ATOM 1127 CB VAL A 69 6.496 3.293 -2.972 1.00 0.00 C ATOM 1128 CG1 VAL A 69 6.211 2.351 -4.131 1.00 0.00 C ATOM 1129 CG2 VAL A 69 7.843 2.981 -2.338 1.00 0.00 C ATOM 0 H VAL A 69 8.452 5.091 -3.962 1.00 0.00 H new ATOM 0 HA VAL A 69 5.510 4.935 -3.968 1.00 0.00 H new ATOM 0 HB VAL A 69 5.722 3.145 -2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.249 1.320 -3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.220 2.560 -4.535 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.959 2.497 -4.911 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.860 1.941 -2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.636 3.145 -3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.000 3.633 -1.479 1.00 0.00 H new ATOM 1139 N LYS A 70 5.386 5.846 -1.553 1.00 0.00 N ATOM 1140 CA LYS A 70 5.319 6.695 -0.369 1.00 0.00 C ATOM 1141 C LYS A 70 4.671 5.952 0.796 1.00 0.00 C ATOM 1142 O LYS A 70 3.570 5.414 0.668 1.00 0.00 O ATOM 1143 CB LYS A 70 4.532 7.971 -0.675 1.00 0.00 C ATOM 1144 CG LYS A 70 4.261 8.827 0.550 1.00 0.00 C ATOM 1145 CD LYS A 70 3.067 9.743 0.337 1.00 0.00 C ATOM 1146 CE LYS A 70 1.754 8.989 0.481 1.00 0.00 C ATOM 1147 NZ LYS A 70 1.286 8.956 1.894 1.00 0.00 N ATOM 0 H LYS A 70 4.501 5.409 -1.809 1.00 0.00 H new ATOM 0 HA LYS A 70 6.337 6.963 -0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.084 8.562 -1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.582 7.700 -1.136 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.079 8.184 1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.143 9.425 0.780 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.100 10.559 1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.123 10.192 -0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.994 9.460 -0.142 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.879 7.970 0.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.292 8.650 1.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.870 8.289 2.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.369 9.906 2.309 1.00 0.00 H new ATOM 1161 N LEU A 71 5.359 5.930 1.933 1.00 0.00 N ATOM 1162 CA LEU A 71 4.850 5.255 3.121 1.00 0.00 C ATOM 1163 C LEU A 71 3.513 5.850 3.555 1.00 0.00 C ATOM 1164 O LEU A 71 3.389 7.063 3.726 1.00 0.00 O ATOM 1165 CB LEU A 71 5.862 5.360 4.264 1.00 0.00 C ATOM 1166 CG LEU A 71 5.742 4.307 5.366 1.00 0.00 C ATOM 1167 CD1 LEU A 71 6.387 3.001 4.929 1.00 0.00 C ATOM 1168 CD2 LEU A 71 6.373 4.810 6.656 1.00 0.00 C ATOM 0 H LEU A 71 6.270 6.372 2.057 1.00 0.00 H new ATOM 0 HA LEU A 71 4.697 4.204 2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.865 5.302 3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.765 6.346 4.719 1.00 0.00 H new ATOM 0 HG LEU A 71 4.684 4.122 5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.292 2.264 5.726 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.890 2.632 4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.442 3.170 4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.278 4.047 7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.428 5.025 6.485 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.866 5.719 6.979 1.00 0.00 H new ATOM 1180 N ILE A 72 2.518 4.988 3.733 1.00 0.00 N ATOM 1181 CA ILE A 72 1.193 5.427 4.149 1.00 0.00 C ATOM 1182 C ILE A 72 0.876 4.955 5.564 1.00 0.00 C ATOM 1183 O ILE A 72 0.049 5.545 6.257 1.00 0.00 O ATOM 1184 CB ILE A 72 0.102 4.912 3.192 1.00 0.00 C ATOM 1185 CG1 ILE A 72 0.062 3.383 3.206 1.00 0.00 C ATOM 1186 CG2 ILE A 72 0.347 5.428 1.782 1.00 0.00 C ATOM 1187 CD1 ILE A 72 -0.873 2.794 2.172 1.00 0.00 C ATOM 0 H ILE A 72 2.605 3.981 3.595 1.00 0.00 H new ATOM 0 HA ILE A 72 1.201 6.517 4.125 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.864 5.285 3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.068 3.000 3.035 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.244 3.045 4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.433 5.055 1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.330 6.518 1.785 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.319 5.081 1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.851 1.706 2.239 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.887 3.148 2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.555 3.103 1.176 1.00 0.00 H new ATOM 1199 N GLY A 73 1.543 3.885 5.988 1.00 0.00 N ATOM 1200 CA GLY A 73 1.321 3.352 7.319 1.00 0.00 C ATOM 1201 C GLY A 73 2.396 2.369 7.737 1.00 0.00 C ATOM 1202 O GLY A 73 2.665 1.396 7.033 1.00 0.00 O ATOM 0 H GLY A 73 2.233 3.378 5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.286 4.173 8.035 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.349 2.859 7.352 1.00 0.00 H new ATOM 1206 N ARG A 74 3.014 2.624 8.886 1.00 0.00 N ATOM 1207 CA ARG A 74 4.069 1.756 9.395 1.00 0.00 C ATOM 1208 C ARG A 74 3.674 1.151 10.739 1.00 0.00 C ATOM 1209 O ARG A 74 3.251 1.862 11.650 1.00 0.00 O ATOM 1210 CB ARG A 74 5.376 2.537 9.540 1.00 0.00 C ATOM 1211 CG ARG A 74 5.378 3.510 10.709 1.00 0.00 C ATOM 1212 CD ARG A 74 6.299 4.691 10.448 1.00 0.00 C ATOM 1213 NE ARG A 74 6.211 5.696 11.505 1.00 0.00 N ATOM 1214 CZ ARG A 74 6.665 5.507 12.738 1.00 0.00 C ATOM 1215 NH1 ARG A 74 7.235 4.357 13.069 1.00 0.00 N ATOM 1216 NH2 ARG A 74 6.549 6.470 13.644 1.00 0.00 N ATOM 0 H ARG A 74 2.802 3.424 9.482 1.00 0.00 H new ATOM 0 HA ARG A 74 4.215 0.946 8.680 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.199 1.833 9.663 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.564 3.089 8.619 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.364 3.870 10.886 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.696 2.992 11.614 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.327 4.338 10.367 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.042 5.147 9.492 1.00 0.00 H new ATOM 0 HE ARG A 74 5.777 6.592 11.283 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.326 3.615 12.376 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.583 4.215 14.017 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.111 7.356 13.393 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.898 6.324 14.591 1.00 0.00 H new ATOM 1230 N GLU A 75 3.814 -0.166 10.854 1.00 0.00 N ATOM 1231 CA GLU A 75 3.469 -0.865 12.085 1.00 0.00 C ATOM 1232 C GLU A 75 4.413 -2.041 12.325 1.00 0.00 C ATOM 1233 O GLU A 75 4.577 -2.905 11.464 1.00 0.00 O ATOM 1234 CB GLU A 75 2.023 -1.361 12.030 1.00 0.00 C ATOM 1235 CG GLU A 75 1.003 -0.310 12.436 1.00 0.00 C ATOM 1236 CD GLU A 75 -0.421 -0.733 12.134 1.00 0.00 C ATOM 1237 OE1 GLU A 75 -0.632 -1.423 11.114 1.00 0.00 O ATOM 1238 OE2 GLU A 75 -1.326 -0.374 12.917 1.00 0.00 O ATOM 0 H GLU A 75 4.164 -0.769 10.110 1.00 0.00 H new ATOM 0 HA GLU A 75 3.572 -0.163 12.912 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.802 -1.698 11.017 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.920 -2.227 12.684 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.100 -0.108 13.503 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.220 0.622 11.914 1.00 0.00 H new ATOM 1245 N MET A 76 5.030 -2.067 13.502 1.00 0.00 N ATOM 1246 CA MET A 76 5.956 -3.136 13.856 1.00 0.00 C ATOM 1247 C MET A 76 5.411 -3.968 15.011 1.00 0.00 C ATOM 1248 O MET A 76 5.254 -3.472 16.127 1.00 0.00 O ATOM 1249 CB MET A 76 7.322 -2.555 14.229 1.00 0.00 C ATOM 1250 CG MET A 76 7.938 -1.699 13.135 1.00 0.00 C ATOM 1251 SD MET A 76 9.740 -1.691 13.192 1.00 0.00 S ATOM 1252 CE MET A 76 10.025 -0.950 14.797 1.00 0.00 C ATOM 0 H MET A 76 4.905 -1.360 14.226 1.00 0.00 H new ATOM 0 HA MET A 76 6.071 -3.785 12.988 1.00 0.00 H new ATOM 0 HB2 MET A 76 7.218 -1.955 15.133 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.003 -3.373 14.466 1.00 0.00 H new ATOM 0 HG2 MET A 76 7.611 -2.068 12.163 1.00 0.00 H new ATOM 0 HG3 MET A 76 7.571 -0.677 13.228 1.00 0.00 H new ATOM 0 HE1 MET A 76 11.091 -0.762 14.927 1.00 0.00 H new ATOM 0 HE2 MET A 76 9.480 -0.009 14.865 1.00 0.00 H new ATOM 0 HE3 MET A 76 9.678 -1.627 15.577 1.00 0.00 H new ATOM 1262 N LYS A 77 5.123 -5.236 14.739 1.00 0.00 N ATOM 1263 CA LYS A 77 4.596 -6.138 15.755 1.00 0.00 C ATOM 1264 C LYS A 77 5.691 -7.052 16.294 1.00 0.00 C ATOM 1265 O LYS A 77 6.614 -7.424 15.569 1.00 0.00 O ATOM 1266 CB LYS A 77 3.454 -6.979 15.178 1.00 0.00 C ATOM 1267 CG LYS A 77 2.086 -6.338 15.339 1.00 0.00 C ATOM 1268 CD LYS A 77 1.459 -6.689 16.678 1.00 0.00 C ATOM 1269 CE LYS A 77 2.075 -5.880 17.810 1.00 0.00 C ATOM 1270 NZ LYS A 77 1.223 -5.901 19.032 1.00 0.00 N ATOM 0 H LYS A 77 5.246 -5.663 13.821 1.00 0.00 H new ATOM 0 HA LYS A 77 4.215 -5.533 16.578 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.642 -7.154 14.119 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.449 -7.954 15.666 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.178 -5.255 15.252 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.432 -6.668 14.532 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.386 -6.503 16.638 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.591 -7.753 16.875 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.061 -6.279 18.047 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.218 -4.850 17.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.676 -5.339 19.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.290 -5.497 18.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.107 -6.882 19.358 1.00 0.00 H new ATOM 1284 N ASN A 78 5.583 -7.409 17.570 1.00 0.00 N ATOM 1285 CA ASN A 78 6.566 -8.281 18.204 1.00 0.00 C ATOM 1286 C ASN A 78 6.636 -9.630 17.495 1.00 0.00 C ATOM 1287 O ASN A 78 7.568 -10.406 17.707 1.00 0.00 O ATOM 1288 CB ASN A 78 6.218 -8.486 19.680 1.00 0.00 C ATOM 1289 CG ASN A 78 6.696 -7.342 20.552 1.00 0.00 C ATOM 1290 OD1 ASN A 78 7.524 -6.533 20.135 1.00 0.00 O ATOM 1291 ND2 ASN A 78 6.173 -7.268 21.770 1.00 0.00 N ATOM 0 H ASN A 78 4.826 -7.109 18.184 1.00 0.00 H new ATOM 0 HA ASN A 78 7.542 -7.801 18.130 1.00 0.00 H new ATOM 0 HB2 ASN A 78 5.138 -8.592 19.784 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.665 -9.417 20.030 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.455 -6.518 22.401 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.489 -7.961 22.074 1.00 0.00 H new ATOM 1298 N ASP A 79 5.646 -9.900 16.652 1.00 0.00 N ATOM 1299 CA ASP A 79 5.596 -11.154 15.909 1.00 0.00 C ATOM 1300 C ASP A 79 6.157 -10.975 14.501 1.00 0.00 C ATOM 1301 O ASP A 79 6.699 -11.912 13.915 1.00 0.00 O ATOM 1302 CB ASP A 79 4.158 -11.672 15.835 1.00 0.00 C ATOM 1303 CG ASP A 79 3.413 -11.497 17.144 1.00 0.00 C ATOM 1304 OD1 ASP A 79 3.763 -12.189 18.123 1.00 0.00 O ATOM 1305 OD2 ASP A 79 2.481 -10.667 17.190 1.00 0.00 O ATOM 0 H ASP A 79 4.867 -9.268 16.466 1.00 0.00 H new ATOM 0 HA ASP A 79 6.211 -11.884 16.436 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.625 -11.145 15.043 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.168 -12.728 15.564 1.00 0.00 H new ATOM 1310 N ARG A 80 6.025 -9.766 13.967 1.00 0.00 N ATOM 1311 CA ARG A 80 6.517 -9.465 12.628 1.00 0.00 C ATOM 1312 C ARG A 80 6.344 -7.984 12.306 1.00 0.00 C ATOM 1313 O ARG A 80 5.502 -7.304 12.895 1.00 0.00 O ATOM 1314 CB ARG A 80 5.782 -10.313 11.589 1.00 0.00 C ATOM 1315 CG ARG A 80 4.283 -10.061 11.545 1.00 0.00 C ATOM 1316 CD ARG A 80 3.632 -10.775 10.372 1.00 0.00 C ATOM 1317 NE ARG A 80 3.478 -12.206 10.619 1.00 0.00 N ATOM 1318 CZ ARG A 80 2.652 -12.711 11.528 1.00 0.00 C ATOM 1319 NH1 ARG A 80 1.908 -11.905 12.273 1.00 0.00 N ATOM 1320 NH2 ARG A 80 2.570 -14.025 11.694 1.00 0.00 N ATOM 0 H ARG A 80 5.582 -8.979 14.441 1.00 0.00 H new ATOM 0 HA ARG A 80 7.580 -9.705 12.596 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.204 -10.112 10.604 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.958 -11.367 11.803 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.829 -10.400 12.476 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.095 -8.990 11.470 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.655 -10.334 10.176 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.235 -10.625 9.476 1.00 0.00 H new ATOM 0 HE ARG A 80 4.036 -12.854 10.062 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.969 -10.894 12.149 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.274 -12.296 12.970 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.142 -14.648 11.123 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.935 -14.412 12.392 1.00 0.00 H new ATOM 1334 N ILE A 81 7.146 -7.489 11.368 1.00 0.00 N ATOM 1335 CA ILE A 81 7.080 -6.089 10.969 1.00 0.00 C ATOM 1336 C ILE A 81 6.188 -5.908 9.745 1.00 0.00 C ATOM 1337 O ILE A 81 6.334 -6.613 8.746 1.00 0.00 O ATOM 1338 CB ILE A 81 8.480 -5.527 10.657 1.00 0.00 C ATOM 1339 CG1 ILE A 81 9.330 -5.481 11.929 1.00 0.00 C ATOM 1340 CG2 ILE A 81 8.368 -4.142 10.037 1.00 0.00 C ATOM 1341 CD1 ILE A 81 10.792 -5.193 11.668 1.00 0.00 C ATOM 0 H ILE A 81 7.848 -8.037 10.871 1.00 0.00 H new ATOM 0 HA ILE A 81 6.655 -5.540 11.810 1.00 0.00 H new ATOM 0 HB ILE A 81 8.969 -6.186 9.940 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.931 -4.717 12.596 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.243 -6.435 12.449 1.00 0.00 H new ATOM 0 HG21 ILE A 81 9.365 -3.758 9.822 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.795 -4.203 9.112 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.863 -3.472 10.733 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.334 -5.175 12.614 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.207 -5.970 11.027 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.890 -4.226 11.175 1.00 0.00 H new ATOM 1353 N LYS A 82 5.264 -4.957 9.828 1.00 0.00 N ATOM 1354 CA LYS A 82 4.349 -4.680 8.728 1.00 0.00 C ATOM 1355 C LYS A 82 4.580 -3.279 8.169 1.00 0.00 C ATOM 1356 O LYS A 82 4.613 -2.300 8.914 1.00 0.00 O ATOM 1357 CB LYS A 82 2.899 -4.821 9.196 1.00 0.00 C ATOM 1358 CG LYS A 82 1.940 -5.223 8.089 1.00 0.00 C ATOM 1359 CD LYS A 82 0.609 -5.697 8.650 1.00 0.00 C ATOM 1360 CE LYS A 82 -0.442 -5.826 7.557 1.00 0.00 C ATOM 1361 NZ LYS A 82 -0.067 -6.850 6.545 1.00 0.00 N ATOM 0 H LYS A 82 5.129 -4.364 10.647 1.00 0.00 H new ATOM 0 HA LYS A 82 4.541 -5.405 7.937 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.854 -5.564 9.992 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.570 -3.874 9.624 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.775 -4.375 7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.387 -6.016 7.489 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.743 -6.660 9.143 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.262 -4.996 9.409 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.400 -6.091 8.004 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.575 -4.862 7.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.846 -6.968 5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.789 -6.543 6.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.118 -7.756 7.020 1.00 0.00 H new ATOM 1375 N VAL A 83 4.738 -3.191 6.852 1.00 0.00 N ATOM 1376 CA VAL A 83 4.963 -1.910 6.192 1.00 0.00 C ATOM 1377 C VAL A 83 4.035 -1.739 4.996 1.00 0.00 C ATOM 1378 O VAL A 83 3.965 -2.603 4.121 1.00 0.00 O ATOM 1379 CB VAL A 83 6.422 -1.771 5.721 1.00 0.00 C ATOM 1380 CG1 VAL A 83 6.637 -0.427 5.041 1.00 0.00 C ATOM 1381 CG2 VAL A 83 7.379 -1.944 6.891 1.00 0.00 C ATOM 0 H VAL A 83 4.714 -3.992 6.221 1.00 0.00 H new ATOM 0 HA VAL A 83 4.751 -1.133 6.926 1.00 0.00 H new ATOM 0 HB VAL A 83 6.627 -2.557 4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.674 -0.346 4.715 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.977 -0.347 4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.414 0.376 5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.406 -1.843 6.539 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.176 -1.181 7.643 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.242 -2.932 7.330 1.00 0.00 H new ATOM 1391 N SER A 84 3.323 -0.616 4.961 1.00 0.00 N ATOM 1392 CA SER A 84 2.396 -0.331 3.872 1.00 0.00 C ATOM 1393 C SER A 84 2.894 0.837 3.027 1.00 0.00 C ATOM 1394 O SER A 84 3.236 1.897 3.552 1.00 0.00 O ATOM 1395 CB SER A 84 1.006 -0.018 4.428 1.00 0.00 C ATOM 1396 OG SER A 84 0.307 -1.206 4.756 1.00 0.00 O ATOM 0 H SER A 84 3.371 0.111 5.675 1.00 0.00 H new ATOM 0 HA SER A 84 2.335 -1.215 3.237 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.099 0.609 5.315 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.437 0.551 3.693 1.00 0.00 H new ATOM 0 HG SER A 84 -0.578 -0.978 5.111 1.00 0.00 H new ATOM 1402 N LEU A 85 2.932 0.635 1.714 1.00 0.00 N ATOM 1403 CA LEU A 85 3.388 1.671 0.794 1.00 0.00 C ATOM 1404 C LEU A 85 2.311 1.994 -0.238 1.00 0.00 C ATOM 1405 O LEU A 85 1.384 1.213 -0.448 1.00 0.00 O ATOM 1406 CB LEU A 85 4.670 1.225 0.088 1.00 0.00 C ATOM 1407 CG LEU A 85 5.748 0.611 0.981 1.00 0.00 C ATOM 1408 CD1 LEU A 85 6.935 0.154 0.147 1.00 0.00 C ATOM 1409 CD2 LEU A 85 6.192 1.607 2.043 1.00 0.00 C ATOM 0 H LEU A 85 2.653 -0.236 1.263 1.00 0.00 H new ATOM 0 HA LEU A 85 3.594 2.572 1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.404 0.498 -0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.098 2.087 -0.424 1.00 0.00 H new ATOM 0 HG LEU A 85 5.325 -0.260 1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.692 -0.280 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.606 -0.593 -0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.358 1.008 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.960 1.153 2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.597 2.497 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.338 1.886 2.660 1.00 0.00 H new ATOM 1421 N SER A 86 2.444 3.150 -0.881 1.00 0.00 N ATOM 1422 CA SER A 86 1.482 3.577 -1.890 1.00 0.00 C ATOM 1423 C SER A 86 2.191 3.973 -3.182 1.00 0.00 C ATOM 1424 O SER A 86 3.327 4.444 -3.160 1.00 0.00 O ATOM 1425 CB SER A 86 0.652 4.752 -1.369 1.00 0.00 C ATOM 1426 OG SER A 86 -0.344 5.128 -2.304 1.00 0.00 O ATOM 0 H SER A 86 3.208 3.807 -0.721 1.00 0.00 H new ATOM 0 HA SER A 86 0.818 2.739 -2.102 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.183 4.479 -0.424 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.305 5.601 -1.167 1.00 0.00 H new ATOM 0 HG SER A 86 -1.191 4.694 -2.071 1.00 0.00 H new ATOM 1432 N MET A 87 1.509 3.777 -4.307 1.00 0.00 N ATOM 1433 CA MET A 87 2.072 4.115 -5.609 1.00 0.00 C ATOM 1434 C MET A 87 1.156 5.070 -6.366 1.00 0.00 C ATOM 1435 O MET A 87 1.620 5.924 -7.122 1.00 0.00 O ATOM 1436 CB MET A 87 2.300 2.847 -6.434 1.00 0.00 C ATOM 1437 CG MET A 87 3.515 2.046 -5.995 1.00 0.00 C ATOM 1438 SD MET A 87 3.480 0.345 -6.593 1.00 0.00 S ATOM 1439 CE MET A 87 3.922 0.581 -8.312 1.00 0.00 C ATOM 0 H MET A 87 0.567 3.387 -4.343 1.00 0.00 H new ATOM 0 HA MET A 87 3.029 4.611 -5.446 1.00 0.00 H new ATOM 0 HB2 MET A 87 1.415 2.215 -6.366 1.00 0.00 H new ATOM 0 HB3 MET A 87 2.416 3.122 -7.482 1.00 0.00 H new ATOM 0 HG2 MET A 87 4.419 2.536 -6.358 1.00 0.00 H new ATOM 0 HG3 MET A 87 3.569 2.043 -4.906 1.00 0.00 H new ATOM 0 HE1 MET A 87 4.639 -0.184 -8.612 1.00 0.00 H new ATOM 0 HE2 MET A 87 3.028 0.504 -8.931 1.00 0.00 H new ATOM 0 HE3 MET A 87 4.368 1.567 -8.441 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.148 4.921 -6.160 1.00 0.00 N ATOM 1450 CA LYS A 88 -1.130 5.770 -6.821 1.00 0.00 C ATOM 1451 C LYS A 88 -0.964 7.227 -6.398 1.00 0.00 C ATOM 1452 O LYS A 88 -1.483 8.136 -7.046 1.00 0.00 O ATOM 1453 CB LYS A 88 -2.548 5.294 -6.498 1.00 0.00 C ATOM 1454 CG LYS A 88 -3.076 5.812 -5.170 1.00 0.00 C ATOM 1455 CD LYS A 88 -4.427 5.204 -4.833 1.00 0.00 C ATOM 1456 CE LYS A 88 -5.220 6.099 -3.892 1.00 0.00 C ATOM 1457 NZ LYS A 88 -6.043 7.093 -4.632 1.00 0.00 N ATOM 0 H LYS A 88 -0.549 4.218 -5.539 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.966 5.701 -7.896 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.220 5.612 -7.295 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.562 4.204 -6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.364 5.580 -4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.164 6.898 -5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.994 5.044 -5.750 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.283 4.227 -4.373 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.868 5.485 -3.267 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.535 6.621 -3.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.815 8.051 -4.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.839 7.024 -5.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -7.052 6.900 -4.467 1.00 0.00 H new ATOM 1471 N VAL A 89 -0.234 7.441 -5.308 1.00 0.00 N ATOM 1472 CA VAL A 89 0.004 8.787 -4.800 1.00 0.00 C ATOM 1473 C VAL A 89 1.422 9.249 -5.112 1.00 0.00 C ATOM 1474 O VAL A 89 1.824 10.351 -4.738 1.00 0.00 O ATOM 1475 CB VAL A 89 -0.227 8.862 -3.279 1.00 0.00 C ATOM 1476 CG1 VAL A 89 -1.656 8.469 -2.935 1.00 0.00 C ATOM 1477 CG2 VAL A 89 0.769 7.977 -2.546 1.00 0.00 C ATOM 0 H VAL A 89 0.203 6.700 -4.760 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.707 9.445 -5.300 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.072 9.891 -2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.800 8.528 -1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.350 9.148 -3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.844 7.449 -3.271 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.592 8.042 -1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.647 6.944 -2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.783 8.310 -2.767 1.00 0.00 H new ATOM 1487 N VAL A 90 2.178 8.399 -5.799 1.00 0.00 N ATOM 1488 CA VAL A 90 3.553 8.721 -6.162 1.00 0.00 C ATOM 1489 C VAL A 90 3.788 8.519 -7.655 1.00 0.00 C ATOM 1490 O VAL A 90 3.418 7.491 -8.218 1.00 0.00 O ATOM 1491 CB VAL A 90 4.558 7.859 -5.375 1.00 0.00 C ATOM 1492 CG1 VAL A 90 5.980 8.344 -5.615 1.00 0.00 C ATOM 1493 CG2 VAL A 90 4.225 7.875 -3.890 1.00 0.00 C ATOM 0 H VAL A 90 1.862 7.482 -6.115 1.00 0.00 H new ATOM 0 HA VAL A 90 3.710 9.770 -5.910 1.00 0.00 H new ATOM 0 HB VAL A 90 4.485 6.831 -5.730 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.676 7.723 -5.051 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.213 8.277 -6.678 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.071 9.380 -5.288 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.945 7.261 -3.349 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.269 8.899 -3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.222 7.477 -3.738 1.00 0.00 H new ATOM 1503 N ASN A 91 4.408 9.509 -8.290 1.00 0.00 N ATOM 1504 CA ASN A 91 4.693 9.440 -9.719 1.00 0.00 C ATOM 1505 C ASN A 91 5.867 8.506 -9.995 1.00 0.00 C ATOM 1506 O ASN A 91 6.828 8.460 -9.228 1.00 0.00 O ATOM 1507 CB ASN A 91 4.997 10.836 -10.267 1.00 0.00 C ATOM 1508 CG ASN A 91 4.653 10.967 -11.738 1.00 0.00 C ATOM 1509 OD1 ASN A 91 4.984 10.099 -12.544 1.00 0.00 O ATOM 1510 ND2 ASN A 91 3.985 12.058 -12.094 1.00 0.00 N ATOM 0 H ASN A 91 4.722 10.368 -7.838 1.00 0.00 H new ATOM 0 HA ASN A 91 3.811 9.044 -10.222 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.435 11.577 -9.698 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.054 11.058 -10.123 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.726 12.202 -13.070 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.731 12.752 -11.391 1.00 0.00 H new ATOM 1517 N GLN A 92 5.780 7.765 -11.095 1.00 0.00 N ATOM 1518 CA GLN A 92 6.835 6.831 -11.472 1.00 0.00 C ATOM 1519 C GLN A 92 7.745 7.440 -12.533 1.00 0.00 C ATOM 1520 O GLN A 92 8.813 6.904 -12.831 1.00 0.00 O ATOM 1521 CB GLN A 92 6.229 5.526 -11.990 1.00 0.00 C ATOM 1522 CG GLN A 92 5.458 4.752 -10.934 1.00 0.00 C ATOM 1523 CD GLN A 92 4.051 5.278 -10.734 1.00 0.00 C ATOM 1524 OE1 GLN A 92 3.377 5.660 -11.691 1.00 0.00 O ATOM 1525 NE2 GLN A 92 3.599 5.301 -9.486 1.00 0.00 N ATOM 0 H GLN A 92 4.991 7.793 -11.740 1.00 0.00 H new ATOM 0 HA GLN A 92 7.432 6.618 -10.585 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.563 5.750 -12.823 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.027 4.895 -12.381 1.00 0.00 H new ATOM 0 HG2 GLN A 92 5.411 3.702 -11.221 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.997 4.800 -9.988 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.192 4.975 -8.723 1.00 0.00 H new ATOM 0 HE22 GLN A 92 2.659 5.645 -9.290 1.00 0.00 H new ATOM 1534 N GLY A 93 7.317 8.563 -13.101 1.00 0.00 N ATOM 1535 CA GLY A 93 8.106 9.225 -14.124 1.00 0.00 C ATOM 1536 C GLY A 93 9.123 10.186 -13.540 1.00 0.00 C ATOM 1537 O GLY A 93 10.181 10.414 -14.126 1.00 0.00 O ATOM 0 H GLY A 93 6.438 9.026 -12.871 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.622 8.475 -14.723 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.442 9.768 -14.796 1.00 0.00 H new ATOM 1541 N THR A 94 8.801 10.754 -12.382 1.00 0.00 N ATOM 1542 CA THR A 94 9.692 11.697 -11.720 1.00 0.00 C ATOM 1543 C THR A 94 9.938 11.298 -10.269 1.00 0.00 C ATOM 1544 O THR A 94 11.056 11.402 -9.767 1.00 0.00 O ATOM 1545 CB THR A 94 9.124 13.129 -11.758 1.00 0.00 C ATOM 1546 OG1 THR A 94 7.855 13.169 -11.093 1.00 0.00 O ATOM 1547 CG2 THR A 94 8.967 13.611 -13.192 1.00 0.00 C ATOM 0 H THR A 94 7.929 10.577 -11.883 1.00 0.00 H new ATOM 0 HA THR A 94 10.636 11.674 -12.264 1.00 0.00 H new ATOM 0 HB THR A 94 9.824 13.789 -11.245 1.00 0.00 H new ATOM 0 HG1 THR A 94 7.501 14.082 -11.119 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.565 14.624 -13.193 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.939 13.606 -13.686 1.00 0.00 H new ATOM 0 HG23 THR A 94 8.285 12.949 -13.726 1.00 0.00 H new ATOM 1555 N GLY A 95 8.884 10.839 -9.600 1.00 0.00 N ATOM 1556 CA GLY A 95 9.007 10.430 -8.214 1.00 0.00 C ATOM 1557 C GLY A 95 8.627 11.534 -7.248 1.00 0.00 C ATOM 1558 O GLY A 95 9.159 11.612 -6.140 1.00 0.00 O ATOM 0 H GLY A 95 7.948 10.743 -9.994 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.372 9.562 -8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.033 10.119 -8.020 1.00 0.00 H new ATOM 1562 N LYS A 96 7.704 12.393 -7.667 1.00 0.00 N ATOM 1563 CA LYS A 96 7.254 13.501 -6.832 1.00 0.00 C ATOM 1564 C LYS A 96 5.930 13.165 -6.152 1.00 0.00 C ATOM 1565 O LYS A 96 5.105 12.435 -6.703 1.00 0.00 O ATOM 1566 CB LYS A 96 7.100 14.771 -7.672 1.00 0.00 C ATOM 1567 CG LYS A 96 7.147 16.050 -6.854 1.00 0.00 C ATOM 1568 CD LYS A 96 8.578 16.490 -6.590 1.00 0.00 C ATOM 1569 CE LYS A 96 9.169 17.216 -7.789 1.00 0.00 C ATOM 1570 NZ LYS A 96 10.656 17.150 -7.800 1.00 0.00 N ATOM 0 H LYS A 96 7.253 12.343 -8.580 1.00 0.00 H new ATOM 0 HA LYS A 96 8.006 13.672 -6.062 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.891 14.799 -8.421 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.153 14.728 -8.210 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.614 16.841 -7.382 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.632 15.896 -5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.604 17.144 -5.719 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.189 15.619 -6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.779 16.777 -8.707 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.852 18.259 -7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.020 17.656 -8.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.029 17.592 -6.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.959 16.156 -7.840 1.00 0.00 H new ATOM 1584 N ASP A 97 5.731 13.704 -4.954 1.00 0.00 N ATOM 1585 CA ASP A 97 4.506 13.464 -4.201 1.00 0.00 C ATOM 1586 C ASP A 97 3.292 14.004 -4.950 1.00 0.00 C ATOM 1587 O ASP A 97 3.258 15.174 -5.335 1.00 0.00 O ATOM 1588 CB ASP A 97 4.598 14.111 -2.818 1.00 0.00 C ATOM 1589 CG ASP A 97 3.537 13.594 -1.865 1.00 0.00 C ATOM 1590 OD1 ASP A 97 2.406 13.328 -2.324 1.00 0.00 O ATOM 1591 OD2 ASP A 97 3.839 13.455 -0.662 1.00 0.00 O ATOM 0 H ASP A 97 6.403 14.310 -4.484 1.00 0.00 H new ATOM 0 HA ASP A 97 4.386 12.387 -4.083 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.585 13.921 -2.396 1.00 0.00 H new ATOM 0 HB3 ASP A 97 4.497 15.192 -2.918 1.00 0.00 H new ATOM 1596 N LEU A 98 2.300 13.146 -5.155 1.00 0.00 N ATOM 1597 CA LEU A 98 1.084 13.537 -5.860 1.00 0.00 C ATOM 1598 C LEU A 98 -0.027 13.890 -4.875 1.00 0.00 C ATOM 1599 O LEU A 98 -0.842 14.775 -5.135 1.00 0.00 O ATOM 1600 CB LEU A 98 0.622 12.411 -6.786 1.00 0.00 C ATOM 1601 CG LEU A 98 1.632 11.950 -7.837 1.00 0.00 C ATOM 1602 CD1 LEU A 98 1.129 10.704 -8.551 1.00 0.00 C ATOM 1603 CD2 LEU A 98 1.906 13.064 -8.837 1.00 0.00 C ATOM 0 H LEU A 98 2.313 12.175 -4.843 1.00 0.00 H new ATOM 0 HA LEU A 98 1.309 14.420 -6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.348 11.552 -6.173 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.283 12.738 -7.299 1.00 0.00 H new ATOM 0 HG LEU A 98 2.566 11.703 -7.332 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.861 10.391 -9.295 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.983 9.903 -7.826 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.182 10.924 -9.044 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.627 12.719 -9.578 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.978 13.341 -9.336 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.310 13.931 -8.314 1.00 0.00 H new ATOM 1615 N ASP A 99 -0.052 13.191 -3.746 1.00 0.00 N ATOM 1616 CA ASP A 99 -1.060 13.433 -2.719 1.00 0.00 C ATOM 1617 C ASP A 99 -0.408 13.842 -1.403 1.00 0.00 C ATOM 1618 O ASP A 99 -0.310 13.056 -0.460 1.00 0.00 O ATOM 1619 CB ASP A 99 -1.916 12.182 -2.512 1.00 0.00 C ATOM 1620 CG ASP A 99 -2.422 11.604 -3.819 1.00 0.00 C ATOM 1621 OD1 ASP A 99 -1.700 11.708 -4.833 1.00 0.00 O ATOM 1622 OD2 ASP A 99 -3.540 11.048 -3.828 1.00 0.00 O ATOM 0 H ASP A 99 0.614 12.452 -3.518 1.00 0.00 H new ATOM 0 HA ASP A 99 -1.698 14.250 -3.056 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -1.330 11.427 -1.987 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.765 12.428 -1.874 1.00 0.00 H new ATOM 1627 N PRO A 100 0.048 15.101 -1.334 1.00 0.00 N ATOM 1628 CA PRO A 100 0.698 15.644 -0.138 1.00 0.00 C ATOM 1629 C PRO A 100 -0.278 15.831 1.018 1.00 0.00 C ATOM 1630 O PRO A 100 0.129 16.081 2.152 1.00 0.00 O ATOM 1631 CB PRO A 100 1.235 16.997 -0.609 1.00 0.00 C ATOM 1632 CG PRO A 100 0.353 17.380 -1.746 1.00 0.00 C ATOM 1633 CD PRO A 100 -0.036 16.093 -2.419 1.00 0.00 C ATOM 0 HA PRO A 100 1.468 14.975 0.246 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.196 17.738 0.189 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.276 16.922 -0.923 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -0.527 17.918 -1.393 1.00 0.00 H new ATOM 0 HG3 PRO A 100 0.874 18.041 -2.439 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.041 16.146 -2.838 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.639 15.849 -3.240 1.00 0.00 H new ATOM 1641 N ASN A 101 -1.568 15.708 0.724 1.00 0.00 N ATOM 1642 CA ASN A 101 -2.602 15.864 1.740 1.00 0.00 C ATOM 1643 C ASN A 101 -2.681 14.628 2.629 1.00 0.00 C ATOM 1644 O ASN A 101 -2.986 14.724 3.817 1.00 0.00 O ATOM 1645 CB ASN A 101 -3.959 16.120 1.080 1.00 0.00 C ATOM 1646 CG ASN A 101 -4.081 17.529 0.534 1.00 0.00 C ATOM 1647 OD1 ASN A 101 -3.240 18.387 0.806 1.00 0.00 O ATOM 1648 ND2 ASN A 101 -5.131 17.775 -0.241 1.00 0.00 N ATOM 0 H ASN A 101 -1.922 15.501 -0.210 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.340 16.720 2.362 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.106 15.406 0.270 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -4.752 15.945 1.807 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.266 18.705 -0.637 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.803 17.034 -0.440 1.00 0.00 H new ATOM 1655 N ASN A 102 -2.406 13.467 2.045 1.00 0.00 N ATOM 1656 CA ASN A 102 -2.445 12.211 2.785 1.00 0.00 C ATOM 1657 C ASN A 102 -3.798 12.021 3.464 1.00 0.00 C ATOM 1658 O ASN A 102 -3.870 11.688 4.648 1.00 0.00 O ATOM 1659 CB ASN A 102 -1.328 12.173 3.830 1.00 0.00 C ATOM 1660 CG ASN A 102 -0.020 12.725 3.296 1.00 0.00 C ATOM 1661 OD1 ASN A 102 0.651 12.087 2.485 1.00 0.00 O ATOM 1662 ND2 ASN A 102 0.350 13.917 3.752 1.00 0.00 N ATOM 0 H ASN A 102 -2.154 13.369 1.062 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.296 11.397 2.075 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.632 12.748 4.705 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.178 11.145 4.161 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.221 14.338 3.430 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -0.237 14.411 4.424 1.00 0.00 H new ATOM 1669 N VAL A 103 -4.870 12.237 2.708 1.00 0.00 N ATOM 1670 CA VAL A 103 -6.221 12.090 3.236 1.00 0.00 C ATOM 1671 C VAL A 103 -6.937 10.910 2.589 1.00 0.00 C ATOM 1672 O VAL A 103 -8.017 10.512 3.026 1.00 0.00 O ATOM 1673 CB VAL A 103 -7.052 13.367 3.013 1.00 0.00 C ATOM 1674 CG1 VAL A 103 -8.457 13.192 3.569 1.00 0.00 C ATOM 1675 CG2 VAL A 103 -6.366 14.567 3.645 1.00 0.00 C ATOM 0 H VAL A 103 -4.829 12.515 1.727 1.00 0.00 H new ATOM 0 HA VAL A 103 -6.126 11.911 4.307 1.00 0.00 H new ATOM 0 HB VAL A 103 -7.130 13.546 1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -9.030 14.104 3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -8.947 12.359 3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.402 12.988 4.638 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.968 15.460 3.477 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.255 14.400 4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.382 14.702 3.195 1.00 0.00 H new ATOM 1685 N ILE A 104 -6.329 10.354 1.547 1.00 0.00 N ATOM 1686 CA ILE A 104 -6.908 9.218 0.841 1.00 0.00 C ATOM 1687 C ILE A 104 -6.445 7.898 1.449 1.00 0.00 C ATOM 1688 O ILE A 104 -7.252 7.002 1.699 1.00 0.00 O ATOM 1689 CB ILE A 104 -6.541 9.237 -0.655 1.00 0.00 C ATOM 1690 CG1 ILE A 104 -7.068 10.514 -1.315 1.00 0.00 C ATOM 1691 CG2 ILE A 104 -7.096 8.005 -1.353 1.00 0.00 C ATOM 1692 CD1 ILE A 104 -6.096 11.672 -1.251 1.00 0.00 C ATOM 0 H ILE A 104 -5.435 10.672 1.173 1.00 0.00 H new ATOM 0 HA ILE A 104 -7.990 9.303 0.943 1.00 0.00 H new ATOM 0 HB ILE A 104 -5.455 9.224 -0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -7.302 10.304 -2.359 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.000 10.805 -0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.828 8.034 -2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -6.677 7.108 -0.896 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -8.181 7.989 -1.254 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.535 12.543 -1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.880 11.909 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -5.172 11.400 -1.760 1.00 0.00 H new ATOM 1704 N ILE A 105 -5.143 7.787 1.686 1.00 0.00 N ATOM 1705 CA ILE A 105 -4.574 6.578 2.268 1.00 0.00 C ATOM 1706 C ILE A 105 -5.287 6.203 3.563 1.00 0.00 C ATOM 1707 O ILE A 105 -5.269 5.045 3.979 1.00 0.00 O ATOM 1708 CB ILE A 105 -3.070 6.745 2.554 1.00 0.00 C ATOM 1709 CG1 ILE A 105 -2.849 7.784 3.655 1.00 0.00 C ATOM 1710 CG2 ILE A 105 -2.332 7.147 1.285 1.00 0.00 C ATOM 1711 CD1 ILE A 105 -2.905 7.205 5.052 1.00 0.00 C ATOM 0 H ILE A 105 -4.462 8.519 1.484 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.711 5.781 1.537 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.673 5.790 2.897 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -1.879 8.259 3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.604 8.565 3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.270 7.261 1.502 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.466 6.376 0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.731 8.092 0.916 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -2.740 7.998 5.781 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -3.883 6.755 5.220 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.132 6.444 5.162 1.00 0.00 H new ATOM 1723 N GLU A 106 -5.913 7.191 4.194 1.00 0.00 N ATOM 1724 CA GLU A 106 -6.634 6.964 5.442 1.00 0.00 C ATOM 1725 C GLU A 106 -7.977 6.289 5.179 1.00 0.00 C ATOM 1726 O GLU A 106 -8.841 6.846 4.503 1.00 0.00 O ATOM 1727 CB GLU A 106 -6.850 8.286 6.180 1.00 0.00 C ATOM 1728 CG GLU A 106 -5.558 8.975 6.585 1.00 0.00 C ATOM 1729 CD GLU A 106 -5.797 10.308 7.269 1.00 0.00 C ATOM 1730 OE1 GLU A 106 -6.402 11.198 6.636 1.00 0.00 O ATOM 1731 OE2 GLU A 106 -5.379 10.459 8.436 1.00 0.00 O ATOM 0 H GLU A 106 -5.936 8.155 3.863 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.031 6.304 6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -7.426 8.958 5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.448 8.101 7.072 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -4.997 8.323 7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -4.941 9.130 5.700 1.00 0.00 H new