USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 638 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 43 LYS NZ :NH3+ -179:sc= 1.17 (180deg=1.13) USER MOD Set 1.2: A 81 THR OG1 : rot 113:sc= 1.14 USER MOD Single : A 16 TYR OH : rot 30:sc= -0.0597 USER MOD Single : A 23 SER OG : rot 140:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 HIS :FLIP no HD1:sc= -0.543 F(o=-1.4,f=-0.54) USER MOD Single : A 52 SER OG : rot -36:sc= 0.526 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 83:sc= 0.00418 USER MOD Single : A 68 HIS :FLIP no HD1:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.0078) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -1.84! C(o=-1.8!,f=-7!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -87:sc= 1.05 USER MOD Single : A 84 SER OG : rot 16:sc= 0.524 USER MOD Single : A 85 SER OG : rot -99:sc=0.000487 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 91 ASN : amide:sc= 2.72 K(o=2.7,f=-8.3!) USER MOD Single : A 95 CYS SG : rot 66:sc= 0.232 USER MOD Single : A 97 GLN : amide:sc=-0.00762 X(o=-0.0076,f=-0.011) USER MOD Single : A 98 LYS NZ :NH3+ -155:sc= -0.104 (180deg=-0.54) USER MOD Single : A 102 MET CE :methyl -177:sc= -0.889 (180deg=-0.943) USER MOD Single : A 107 SER OG : rot 108:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 179 N TYR A 16 -6.163 4.811 -8.053 1.00 0.00 N ATOM 180 CA TYR A 16 -5.102 4.406 -8.975 1.00 0.00 C ATOM 181 C TYR A 16 -3.942 3.862 -8.128 1.00 0.00 C ATOM 182 O TYR A 16 -3.949 2.687 -7.767 1.00 0.00 O ATOM 183 CB TYR A 16 -4.701 5.546 -9.949 1.00 0.00 C ATOM 184 CG TYR A 16 -4.168 6.846 -9.351 1.00 0.00 C ATOM 185 CD1 TYR A 16 -5.042 7.699 -8.653 1.00 0.00 C ATOM 186 CD2 TYR A 16 -2.800 7.188 -9.457 1.00 0.00 C ATOM 187 CE1 TYR A 16 -4.570 8.876 -8.046 1.00 0.00 C ATOM 188 CE2 TYR A 16 -2.325 8.367 -8.853 1.00 0.00 C ATOM 189 CZ TYR A 16 -3.208 9.220 -8.166 1.00 0.00 C ATOM 190 OH TYR A 16 -2.737 10.400 -7.687 1.00 0.00 O ATOM 0 HA TYR A 16 -5.449 3.616 -9.641 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.942 5.155 -10.627 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.574 5.790 -10.554 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.090 7.446 -8.582 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -2.122 6.546 -10.000 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.245 9.511 -7.492 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.277 8.618 -8.917 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.273 10.677 -6.915 1.00 0.00 H new ATOM 200 N ILE A 17 -3.054 4.753 -7.670 1.00 0.00 N ATOM 201 CA ILE A 17 -1.635 4.538 -7.394 1.00 0.00 C ATOM 202 C ILE A 17 -0.918 4.144 -8.689 1.00 0.00 C ATOM 203 O ILE A 17 -1.284 3.161 -9.328 1.00 0.00 O ATOM 204 CB ILE A 17 -1.382 3.571 -6.223 1.00 0.00 C ATOM 205 CG1 ILE A 17 -2.166 4.000 -4.967 1.00 0.00 C ATOM 206 CG2 ILE A 17 0.115 3.460 -5.890 1.00 0.00 C ATOM 207 CD1 ILE A 17 -1.825 5.392 -4.430 1.00 0.00 C ATOM 0 H ILE A 17 -3.333 5.713 -7.469 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.204 5.477 -7.046 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.735 2.590 -6.541 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.232 3.967 -5.194 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.985 3.270 -4.178 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.253 2.769 -5.059 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.655 3.091 -6.762 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.500 4.441 -5.613 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.429 5.599 -3.547 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.769 5.431 -4.164 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.034 6.139 -5.196 1.00 0.00 H new ATOM 219 N PRO A 18 0.054 4.950 -9.139 1.00 0.00 N ATOM 220 CA PRO A 18 0.882 4.596 -10.271 1.00 0.00 C ATOM 221 C PRO A 18 1.935 3.591 -9.852 1.00 0.00 C ATOM 222 O PRO A 18 2.188 3.375 -8.668 1.00 0.00 O ATOM 223 CB PRO A 18 1.478 5.923 -10.746 1.00 0.00 C ATOM 224 CG PRO A 18 1.597 6.742 -9.456 1.00 0.00 C ATOM 225 CD PRO A 18 0.559 6.161 -8.511 1.00 0.00 C ATOM 0 HA PRO A 18 0.330 4.113 -11.078 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.448 5.780 -11.222 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.834 6.414 -11.476 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.599 6.666 -9.034 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.409 7.799 -9.643 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.001 5.938 -7.540 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.248 6.873 -8.338 1.00 0.00 H new ATOM 233 N LEU A 19 2.554 2.979 -10.853 1.00 0.00 N ATOM 234 CA LEU A 19 3.554 1.950 -10.664 1.00 0.00 C ATOM 235 C LEU A 19 4.866 2.388 -11.293 1.00 0.00 C ATOM 236 O LEU A 19 5.931 2.225 -10.701 1.00 0.00 O ATOM 237 CB LEU A 19 3.053 0.621 -11.245 1.00 0.00 C ATOM 238 CG LEU A 19 2.043 -0.086 -10.322 1.00 0.00 C ATOM 239 CD1 LEU A 19 0.569 0.268 -10.506 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.137 -1.594 -10.545 1.00 0.00 C ATOM 0 H LEU A 19 2.368 3.191 -11.833 1.00 0.00 H new ATOM 0 HA LEU A 19 3.732 1.796 -9.600 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.588 0.805 -12.213 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.903 -0.038 -11.420 1.00 0.00 H new ATOM 0 HG LEU A 19 2.328 0.255 -9.327 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.033 -0.299 -9.795 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.427 1.335 -10.333 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.260 0.021 -11.522 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.425 -2.103 -9.895 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.907 -1.823 -11.585 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.147 -1.934 -10.314 1.00 0.00 H new ATOM 252 N ASP A 20 4.779 3.011 -12.465 1.00 0.00 N ATOM 253 CA ASP A 20 5.942 3.447 -13.231 1.00 0.00 C ATOM 254 C ASP A 20 6.715 4.545 -12.487 1.00 0.00 C ATOM 255 O ASP A 20 7.942 4.538 -12.440 1.00 0.00 O ATOM 256 CB ASP A 20 5.450 3.930 -14.595 1.00 0.00 C ATOM 257 CG ASP A 20 6.433 3.637 -15.717 1.00 0.00 C ATOM 258 OD1 ASP A 20 7.604 4.045 -15.656 1.00 0.00 O ATOM 259 OD2 ASP A 20 5.968 3.075 -16.741 1.00 0.00 O ATOM 0 H ASP A 20 3.890 3.229 -12.914 1.00 0.00 H new ATOM 0 HA ASP A 20 6.638 2.619 -13.363 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.496 3.453 -14.821 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.267 5.004 -14.550 1.00 0.00 H new ATOM 264 N ARG A 21 6.002 5.459 -11.812 1.00 0.00 N ATOM 265 CA ARG A 21 6.592 6.436 -10.892 1.00 0.00 C ATOM 266 C ARG A 21 7.330 5.779 -9.726 1.00 0.00 C ATOM 267 O ARG A 21 8.370 6.277 -9.287 1.00 0.00 O ATOM 268 CB ARG A 21 5.486 7.347 -10.324 1.00 0.00 C ATOM 269 CG ARG A 21 5.513 8.767 -10.905 1.00 0.00 C ATOM 270 CD ARG A 21 5.205 9.764 -9.789 1.00 0.00 C ATOM 271 NE ARG A 21 5.070 11.163 -10.228 1.00 0.00 N ATOM 272 CZ ARG A 21 3.905 11.814 -10.360 1.00 0.00 C ATOM 273 NH1 ARG A 21 2.770 11.168 -10.610 1.00 0.00 N ATOM 274 NH2 ARG A 21 3.883 13.130 -10.223 1.00 0.00 N ATOM 0 H ARG A 21 4.988 5.539 -11.892 1.00 0.00 H new ATOM 0 HA ARG A 21 7.318 7.012 -11.466 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.514 6.897 -10.527 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.591 7.403 -9.241 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.490 8.978 -11.340 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.780 8.860 -11.707 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.281 9.462 -9.297 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.997 9.707 -9.042 1.00 0.00 H new ATOM 0 HE ARG A 21 5.925 11.674 -10.448 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.772 10.153 -10.706 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.898 11.688 -10.706 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.745 13.636 -10.020 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.004 13.638 -10.321 1.00 0.00 H new ATOM 288 N LEU A 22 6.749 4.730 -9.143 1.00 0.00 N ATOM 289 CA LEU A 22 7.281 4.125 -7.927 1.00 0.00 C ATOM 290 C LEU A 22 8.405 3.157 -8.318 1.00 0.00 C ATOM 291 O LEU A 22 8.832 3.094 -9.475 1.00 0.00 O ATOM 292 CB LEU A 22 6.176 3.453 -7.076 1.00 0.00 C ATOM 293 CG LEU A 22 4.851 4.220 -6.864 1.00 0.00 C ATOM 294 CD1 LEU A 22 3.972 3.485 -5.851 1.00 0.00 C ATOM 295 CD2 LEU A 22 4.992 5.683 -6.424 1.00 0.00 C ATOM 0 H LEU A 22 5.905 4.281 -9.498 1.00 0.00 H new ATOM 0 HA LEU A 22 7.694 4.902 -7.283 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.936 2.495 -7.538 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.597 3.237 -6.094 1.00 0.00 H new ATOM 0 HG LEU A 22 4.395 4.248 -7.853 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.042 4.035 -5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.749 2.484 -6.221 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.498 3.411 -4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.002 6.124 -6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.526 5.728 -5.475 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.548 6.238 -7.179 1.00 0.00 H new ATOM 307 N SER A 23 8.903 2.395 -7.355 1.00 0.00 N ATOM 308 CA SER A 23 9.937 1.396 -7.534 1.00 0.00 C ATOM 309 C SER A 23 9.375 0.115 -6.936 1.00 0.00 C ATOM 310 O SER A 23 9.554 -0.169 -5.752 1.00 0.00 O ATOM 311 CB SER A 23 11.244 1.884 -6.894 1.00 0.00 C ATOM 312 OG SER A 23 12.301 1.002 -7.197 1.00 0.00 O ATOM 0 H SER A 23 8.582 2.462 -6.389 1.00 0.00 H new ATOM 0 HA SER A 23 10.196 1.211 -8.577 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.482 2.884 -7.256 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.122 1.957 -5.813 1.00 0.00 H new ATOM 0 HG SER A 23 13.113 1.517 -7.386 1.00 0.00 H new ATOM 318 N ILE A 24 8.603 -0.616 -7.739 1.00 0.00 N ATOM 319 CA ILE A 24 8.078 -1.921 -7.368 1.00 0.00 C ATOM 320 C ILE A 24 9.219 -2.911 -7.576 1.00 0.00 C ATOM 321 O ILE A 24 9.947 -2.809 -8.574 1.00 0.00 O ATOM 322 CB ILE A 24 6.837 -2.289 -8.216 1.00 0.00 C ATOM 323 CG1 ILE A 24 5.626 -1.385 -7.915 1.00 0.00 C ATOM 324 CG2 ILE A 24 6.414 -3.745 -7.969 1.00 0.00 C ATOM 325 CD1 ILE A 24 5.627 -0.060 -8.646 1.00 0.00 C ATOM 0 H ILE A 24 8.324 -0.313 -8.672 1.00 0.00 H new ATOM 0 HA ILE A 24 7.739 -1.932 -6.332 1.00 0.00 H new ATOM 0 HB ILE A 24 7.135 -2.147 -9.255 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.715 -1.925 -8.171 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.591 -1.193 -6.843 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.540 -3.978 -8.577 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.232 -4.412 -8.239 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.169 -3.879 -6.915 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.738 0.507 -8.372 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.517 0.506 -8.372 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.627 -0.238 -9.721 1.00 0.00 H new ATOM 337 N SER A 25 9.338 -3.886 -6.677 1.00 0.00 N ATOM 338 CA SER A 25 10.311 -4.958 -6.793 1.00 0.00 C ATOM 339 C SER A 25 9.773 -6.210 -6.101 1.00 0.00 C ATOM 340 O SER A 25 9.540 -6.197 -4.896 1.00 0.00 O ATOM 341 CB SER A 25 11.636 -4.475 -6.186 1.00 0.00 C ATOM 342 OG SER A 25 12.712 -5.247 -6.674 1.00 0.00 O ATOM 0 H SER A 25 8.755 -3.950 -5.843 1.00 0.00 H new ATOM 0 HA SER A 25 10.490 -5.220 -7.836 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.794 -3.425 -6.431 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.593 -4.546 -5.099 1.00 0.00 H new ATOM 0 HG SER A 25 13.550 -4.926 -6.280 1.00 0.00 H new ATOM 348 N TYR A 26 9.565 -7.303 -6.834 1.00 0.00 N ATOM 349 CA TYR A 26 9.191 -8.582 -6.227 1.00 0.00 C ATOM 350 C TYR A 26 10.441 -9.323 -5.755 1.00 0.00 C ATOM 351 O TYR A 26 11.512 -9.161 -6.343 1.00 0.00 O ATOM 352 CB TYR A 26 8.373 -9.417 -7.215 1.00 0.00 C ATOM 353 CG TYR A 26 7.336 -8.592 -7.952 1.00 0.00 C ATOM 354 CD1 TYR A 26 6.400 -7.813 -7.239 1.00 0.00 C ATOM 355 CD2 TYR A 26 7.399 -8.488 -9.352 1.00 0.00 C ATOM 356 CE1 TYR A 26 5.558 -6.926 -7.913 1.00 0.00 C ATOM 357 CE2 TYR A 26 6.528 -7.626 -10.032 1.00 0.00 C ATOM 358 CZ TYR A 26 5.584 -6.850 -9.323 1.00 0.00 C ATOM 359 OH TYR A 26 4.687 -6.071 -9.986 1.00 0.00 O ATOM 0 H TYR A 26 9.649 -7.329 -7.850 1.00 0.00 H new ATOM 0 HA TYR A 26 8.564 -8.399 -5.354 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.045 -9.880 -7.938 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.876 -10.225 -6.678 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.334 -7.903 -6.165 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.119 -9.073 -9.905 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.884 -6.295 -7.353 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.579 -7.554 -11.108 1.00 0.00 H new ATOM 0 HH TYR A 26 4.848 -6.135 -10.951 1.00 0.00 H new ATOM 369 N CYS A 27 10.305 -10.151 -4.718 1.00 0.00 N ATOM 370 CA CYS A 27 11.407 -10.853 -4.059 1.00 0.00 C ATOM 371 C CYS A 27 10.918 -12.207 -3.516 1.00 0.00 C ATOM 372 O CYS A 27 9.783 -12.607 -3.793 1.00 0.00 O ATOM 373 CB CYS A 27 11.987 -9.948 -2.949 1.00 0.00 C ATOM 374 SG CYS A 27 13.666 -9.413 -3.385 1.00 0.00 S ATOM 0 H CYS A 27 9.397 -10.358 -4.301 1.00 0.00 H new ATOM 0 HA CYS A 27 12.204 -11.066 -4.771 1.00 0.00 H new ATOM 0 HB2 CYS A 27 11.346 -9.078 -2.808 1.00 0.00 H new ATOM 0 HB3 CYS A 27 12.004 -10.488 -2.002 1.00 0.00 H new ATOM 0 HG CYS A 27 14.137 -8.652 -2.443 1.00 0.00 H new ATOM 585 N LYS A 43 7.216 -12.288 -2.640 1.00 0.00 N ATOM 586 CA LYS A 43 7.158 -11.003 -1.954 1.00 0.00 C ATOM 587 C LYS A 43 6.866 -9.917 -2.979 1.00 0.00 C ATOM 588 O LYS A 43 7.238 -10.064 -4.143 1.00 0.00 O ATOM 589 CB LYS A 43 8.509 -10.718 -1.289 1.00 0.00 C ATOM 590 CG LYS A 43 8.456 -9.723 -0.130 1.00 0.00 C ATOM 591 CD LYS A 43 9.819 -9.067 -0.093 1.00 0.00 C ATOM 592 CE LYS A 43 10.136 -8.188 1.091 1.00 0.00 C ATOM 593 NZ LYS A 43 9.832 -8.755 2.425 1.00 0.00 N ATOM 0 HA LYS A 43 6.377 -11.023 -1.194 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.924 -11.658 -0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.197 -10.338 -2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.670 -8.984 -0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.239 -10.229 0.811 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.572 -9.853 -0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.928 -8.467 -0.996 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.196 -7.938 1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.585 -7.254 0.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.073 -8.060 3.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.819 -8.983 2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.390 -9.621 2.570 1.00 0.00 H new ATOM 607 N ALA A 44 6.328 -8.791 -2.528 1.00 0.00 N ATOM 608 CA ALA A 44 6.288 -7.534 -3.258 1.00 0.00 C ATOM 609 C ALA A 44 6.828 -6.475 -2.308 1.00 0.00 C ATOM 610 O ALA A 44 6.418 -6.431 -1.146 1.00 0.00 O ATOM 611 CB ALA A 44 4.862 -7.206 -3.707 1.00 0.00 C ATOM 0 H ALA A 44 5.891 -8.728 -1.608 1.00 0.00 H new ATOM 0 HA ALA A 44 6.887 -7.584 -4.167 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.860 -6.261 -4.251 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.494 -8.000 -4.357 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.215 -7.123 -2.833 1.00 0.00 H new ATOM 617 N GLU A 45 7.745 -5.651 -2.800 1.00 0.00 N ATOM 618 CA GLU A 45 8.202 -4.426 -2.176 1.00 0.00 C ATOM 619 C GLU A 45 7.823 -3.283 -3.118 1.00 0.00 C ATOM 620 O GLU A 45 7.736 -3.469 -4.337 1.00 0.00 O ATOM 621 CB GLU A 45 9.719 -4.530 -1.936 1.00 0.00 C ATOM 622 CG GLU A 45 10.376 -3.221 -1.481 1.00 0.00 C ATOM 623 CD GLU A 45 11.855 -3.426 -1.162 1.00 0.00 C ATOM 624 OE1 GLU A 45 12.163 -4.024 -0.104 1.00 0.00 O ATOM 625 OE2 GLU A 45 12.703 -2.999 -1.981 1.00 0.00 O ATOM 0 H GLU A 45 8.210 -5.833 -3.689 1.00 0.00 H new ATOM 0 HA GLU A 45 7.742 -4.246 -1.205 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.905 -5.297 -1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.199 -4.863 -2.856 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.271 -2.468 -2.262 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.861 -2.840 -0.599 1.00 0.00 H new ATOM 632 N VAL A 46 7.615 -2.102 -2.546 1.00 0.00 N ATOM 633 CA VAL A 46 7.485 -0.836 -3.241 1.00 0.00 C ATOM 634 C VAL A 46 8.298 0.185 -2.463 1.00 0.00 C ATOM 635 O VAL A 46 8.289 0.190 -1.228 1.00 0.00 O ATOM 636 CB VAL A 46 6.016 -0.390 -3.370 1.00 0.00 C ATOM 637 CG1 VAL A 46 5.870 0.822 -4.307 1.00 0.00 C ATOM 638 CG2 VAL A 46 5.161 -1.522 -3.931 1.00 0.00 C ATOM 0 H VAL A 46 7.529 -2.002 -1.535 1.00 0.00 H new ATOM 0 HA VAL A 46 7.855 -0.935 -4.262 1.00 0.00 H new ATOM 0 HB VAL A 46 5.682 -0.117 -2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.820 1.107 -4.372 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.449 1.658 -3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.238 0.561 -5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.126 -1.189 -4.015 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.533 -1.805 -4.916 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.212 -2.382 -3.263 1.00 0.00 H new ATOM 648 N ARG A 47 8.959 1.072 -3.197 1.00 0.00 N ATOM 649 CA ARG A 47 9.734 2.181 -2.681 1.00 0.00 C ATOM 650 C ARG A 47 9.414 3.404 -3.521 1.00 0.00 C ATOM 651 O ARG A 47 9.235 3.275 -4.732 1.00 0.00 O ATOM 652 CB ARG A 47 11.201 1.764 -2.729 1.00 0.00 C ATOM 653 CG ARG A 47 12.234 2.882 -2.610 1.00 0.00 C ATOM 654 CD ARG A 47 13.585 2.249 -2.249 1.00 0.00 C ATOM 655 NE ARG A 47 14.050 1.338 -3.309 1.00 0.00 N ATOM 656 CZ ARG A 47 14.513 1.691 -4.514 1.00 0.00 C ATOM 657 NH1 ARG A 47 14.755 2.961 -4.806 1.00 0.00 N ATOM 658 NH2 ARG A 47 14.703 0.744 -5.420 1.00 0.00 N ATOM 0 H ARG A 47 8.966 1.031 -4.216 1.00 0.00 H new ATOM 0 HA ARG A 47 9.498 2.437 -1.648 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.378 1.049 -1.925 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.375 1.238 -3.668 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.310 3.431 -3.549 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.933 3.598 -1.845 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.325 3.033 -2.090 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.493 1.702 -1.311 1.00 0.00 H new ATOM 0 HE ARG A 47 14.016 0.339 -3.104 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.589 3.686 -4.108 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.108 3.214 -5.729 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.497 -0.229 -5.192 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.055 0.987 -6.346 1.00 0.00 H new ATOM 672 N PHE A 48 9.271 4.571 -2.899 1.00 0.00 N ATOM 673 CA PHE A 48 9.126 5.830 -3.625 1.00 0.00 C ATOM 674 C PHE A 48 9.714 6.992 -2.825 1.00 0.00 C ATOM 675 O PHE A 48 9.582 7.003 -1.599 1.00 0.00 O ATOM 676 CB PHE A 48 7.645 6.045 -3.973 1.00 0.00 C ATOM 677 CG PHE A 48 6.650 6.066 -2.819 1.00 0.00 C ATOM 678 CD1 PHE A 48 6.353 7.278 -2.169 1.00 0.00 C ATOM 679 CD2 PHE A 48 5.972 4.892 -2.427 1.00 0.00 C ATOM 680 CE1 PHE A 48 5.376 7.325 -1.156 1.00 0.00 C ATOM 681 CE2 PHE A 48 4.993 4.938 -1.414 1.00 0.00 C ATOM 682 CZ PHE A 48 4.667 6.162 -0.814 1.00 0.00 C ATOM 0 H PHE A 48 9.252 4.671 -1.884 1.00 0.00 H new ATOM 0 HA PHE A 48 9.689 5.785 -4.557 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.559 6.990 -4.510 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.343 5.258 -4.664 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.878 8.179 -2.449 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.205 3.953 -2.906 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.172 8.253 -0.643 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.495 4.032 -1.101 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.869 6.211 -0.088 1.00 0.00 H new ATOM 692 N HIS A 49 10.316 7.992 -3.479 1.00 0.00 N ATOM 693 CA HIS A 49 10.647 9.254 -2.829 1.00 0.00 C ATOM 694 C HIS A 49 9.363 10.041 -2.658 1.00 0.00 C ATOM 695 O HIS A 49 8.826 10.641 -3.590 1.00 0.00 O ATOM 696 CB HIS A 49 11.763 10.018 -3.561 1.00 0.00 C ATOM 697 CG HIS A 49 12.415 11.041 -2.659 1.00 0.00 C ATOM 698 ND1 HIS A 49 12.820 10.814 -1.371 1.00 0.00 N flip ATOM 699 CD2 HIS A 49 12.707 12.360 -2.945 1.00 0.00 C flip ATOM 700 CE1 HIS A 49 13.281 12.015 -0.837 1.00 0.00 C flip ATOM 701 NE2 HIS A 49 13.236 12.911 -1.838 1.00 0.00 N flip ATOM 0 H HIS A 49 10.583 7.946 -4.462 1.00 0.00 H new ATOM 0 HA HIS A 49 11.072 9.071 -1.842 1.00 0.00 H new ATOM 0 HB2 HIS A 49 12.515 9.314 -3.918 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.350 10.515 -4.439 1.00 0.00 H new ATOM 0 HD2 HIS A 49 12.541 12.859 -3.888 1.00 0.00 H new ATOM 0 HE1 HIS A 49 13.609 12.191 0.177 1.00 0.00 H new ATOM 0 HE2 HIS A 49 13.559 13.876 -1.768 1.00 0.00 H new ATOM 709 N LEU A 50 8.887 10.001 -1.416 1.00 0.00 N ATOM 710 CA LEU A 50 7.675 10.641 -0.965 1.00 0.00 C ATOM 711 C LEU A 50 7.727 12.135 -1.307 1.00 0.00 C ATOM 712 O LEU A 50 6.735 12.670 -1.790 1.00 0.00 O ATOM 713 CB LEU A 50 7.562 10.376 0.523 1.00 0.00 C ATOM 714 CG LEU A 50 6.498 11.301 1.127 1.00 0.00 C ATOM 715 CD1 LEU A 50 5.720 10.499 2.139 1.00 0.00 C ATOM 716 CD2 LEU A 50 7.159 12.550 1.715 1.00 0.00 C ATOM 0 H LEU A 50 9.365 9.496 -0.670 1.00 0.00 H new ATOM 0 HA LEU A 50 6.788 10.246 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.295 9.334 0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.524 10.545 1.008 1.00 0.00 H new ATOM 0 HG LEU A 50 5.802 11.665 0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.952 11.128 2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.249 9.649 1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.396 10.139 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.395 13.200 2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.862 12.257 2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.692 13.084 0.928 1.00 0.00 H new ATOM 728 N ALA A 51 8.850 12.815 -1.043 1.00 0.00 N ATOM 729 CA ALA A 51 8.958 14.248 -1.272 1.00 0.00 C ATOM 730 C ALA A 51 8.700 14.584 -2.738 1.00 0.00 C ATOM 731 O ALA A 51 8.089 15.612 -3.016 1.00 0.00 O ATOM 732 CB ALA A 51 10.332 14.728 -0.829 1.00 0.00 C ATOM 0 H ALA A 51 9.697 12.386 -0.669 1.00 0.00 H new ATOM 0 HA ALA A 51 8.200 14.764 -0.683 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.415 15.801 -1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.466 14.518 0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.101 14.209 -1.402 1.00 0.00 H new ATOM 738 N SER A 52 9.096 13.705 -3.662 1.00 0.00 N ATOM 739 CA SER A 52 8.885 13.874 -5.088 1.00 0.00 C ATOM 740 C SER A 52 7.586 13.193 -5.550 1.00 0.00 C ATOM 741 O SER A 52 7.387 13.095 -6.761 1.00 0.00 O ATOM 742 CB SER A 52 10.134 13.370 -5.815 1.00 0.00 C ATOM 743 OG SER A 52 10.098 13.623 -7.200 1.00 0.00 O ATOM 0 H SER A 52 9.582 12.840 -3.427 1.00 0.00 H new ATOM 0 HA SER A 52 8.747 14.927 -5.333 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.016 13.846 -5.386 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.238 12.298 -5.649 1.00 0.00 H new ATOM 0 HG SER A 52 9.178 13.531 -7.526 1.00 0.00 H new ATOM 749 N ALA A 53 6.705 12.742 -4.636 1.00 0.00 N ATOM 750 CA ALA A 53 5.479 12.048 -5.028 1.00 0.00 C ATOM 751 C ALA A 53 4.622 12.943 -5.915 1.00 0.00 C ATOM 752 O ALA A 53 4.406 12.618 -7.074 1.00 0.00 O ATOM 753 CB ALA A 53 4.694 11.522 -3.814 1.00 0.00 C ATOM 0 H ALA A 53 6.825 12.849 -3.629 1.00 0.00 H new ATOM 0 HA ALA A 53 5.765 11.170 -5.607 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.792 11.014 -4.156 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.315 10.822 -3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.418 12.357 -3.170 1.00 0.00 H new ATOM 759 N ASP A 54 4.104 14.056 -5.388 1.00 0.00 N ATOM 760 CA ASP A 54 3.210 14.995 -6.089 1.00 0.00 C ATOM 761 C ASP A 54 1.818 14.413 -6.407 1.00 0.00 C ATOM 762 O ASP A 54 0.833 15.145 -6.542 1.00 0.00 O ATOM 763 CB ASP A 54 3.950 15.635 -7.284 1.00 0.00 C ATOM 764 CG ASP A 54 3.050 16.382 -8.257 1.00 0.00 C ATOM 765 OD1 ASP A 54 2.557 15.742 -9.222 1.00 0.00 O ATOM 766 OD2 ASP A 54 2.957 17.623 -8.146 1.00 0.00 O ATOM 0 H ASP A 54 4.300 14.342 -4.429 1.00 0.00 H new ATOM 0 HA ASP A 54 2.962 15.808 -5.406 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.702 16.325 -6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.481 14.853 -7.827 1.00 0.00 H new ATOM 771 N TRP A 55 1.680 13.087 -6.399 1.00 0.00 N ATOM 772 CA TRP A 55 0.414 12.368 -6.366 1.00 0.00 C ATOM 773 C TRP A 55 -0.128 12.220 -4.920 1.00 0.00 C ATOM 774 O TRP A 55 -1.308 11.899 -4.734 1.00 0.00 O ATOM 775 CB TRP A 55 0.622 11.031 -7.103 1.00 0.00 C ATOM 776 CG TRP A 55 1.686 10.130 -6.567 1.00 0.00 C ATOM 777 CD1 TRP A 55 2.980 10.089 -6.944 1.00 0.00 C ATOM 778 CD2 TRP A 55 1.555 9.139 -5.525 1.00 0.00 C ATOM 779 NE1 TRP A 55 3.680 9.182 -6.167 1.00 0.00 N ATOM 780 CE2 TRP A 55 2.836 8.568 -5.262 1.00 0.00 C ATOM 781 CE3 TRP A 55 0.466 8.705 -4.756 1.00 0.00 C ATOM 782 CZ2 TRP A 55 3.024 7.619 -4.244 1.00 0.00 C ATOM 783 CZ3 TRP A 55 0.647 7.756 -3.747 1.00 0.00 C ATOM 784 CH2 TRP A 55 1.916 7.205 -3.483 1.00 0.00 C ATOM 0 H TRP A 55 2.485 12.461 -6.416 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.367 12.928 -6.880 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.322 10.486 -7.094 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.854 11.249 -8.146 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.409 10.680 -7.739 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.679 8.993 -6.251 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.519 9.107 -4.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.005 7.213 -4.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.201 7.439 -3.159 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.037 6.470 -2.701 1.00 0.00 H new ATOM 795 N ILE A 56 0.696 12.487 -3.895 1.00 0.00 N ATOM 796 CA ILE A 56 0.299 12.603 -2.484 1.00 0.00 C ATOM 797 C ILE A 56 0.082 14.091 -2.174 1.00 0.00 C ATOM 798 O ILE A 56 0.835 14.943 -2.645 1.00 0.00 O ATOM 799 CB ILE A 56 1.370 11.964 -1.546 1.00 0.00 C ATOM 800 CG1 ILE A 56 1.600 10.465 -1.853 1.00 0.00 C ATOM 801 CG2 ILE A 56 0.988 12.106 -0.058 1.00 0.00 C ATOM 802 CD1 ILE A 56 2.573 9.724 -0.912 1.00 0.00 C ATOM 0 H ILE A 56 1.696 12.634 -4.032 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.627 12.057 -2.306 1.00 0.00 H new ATOM 0 HB ILE A 56 2.292 12.513 -1.740 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.637 9.956 -1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.974 10.376 -2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.760 11.648 0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.899 13.162 0.196 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.035 11.608 0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.657 8.682 -1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.554 10.196 -0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.196 9.769 0.110 1.00 0.00 H new ATOM 814 N GLU A 57 -0.938 14.357 -1.354 1.00 0.00 N ATOM 815 CA GLU A 57 -1.305 15.657 -0.794 1.00 0.00 C ATOM 816 C GLU A 57 -0.163 16.182 0.049 1.00 0.00 C ATOM 817 O GLU A 57 0.430 15.422 0.807 1.00 0.00 O ATOM 818 CB GLU A 57 -2.555 15.522 0.116 1.00 0.00 C ATOM 819 CG GLU A 57 -3.575 14.485 -0.335 1.00 0.00 C ATOM 820 CD GLU A 57 -4.951 14.597 0.348 1.00 0.00 C ATOM 821 OE1 GLU A 57 -5.545 15.696 0.291 1.00 0.00 O ATOM 822 OE2 GLU A 57 -5.487 13.608 0.904 1.00 0.00 O ATOM 0 H GLU A 57 -1.571 13.619 -1.044 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.522 16.338 -1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.226 15.270 1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.048 16.492 0.175 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.711 14.574 -1.413 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.170 13.491 -0.146 1.00 0.00 H new ATOM 829 N GLU A 58 0.086 17.484 0.019 1.00 0.00 N ATOM 830 CA GLU A 58 1.062 18.074 0.915 1.00 0.00 C ATOM 831 C GLU A 58 0.838 17.739 2.383 1.00 0.00 C ATOM 832 O GLU A 58 1.787 17.296 3.039 1.00 0.00 O ATOM 833 CB GLU A 58 1.106 19.589 0.737 1.00 0.00 C ATOM 834 CG GLU A 58 2.544 20.040 0.999 1.00 0.00 C ATOM 835 CD GLU A 58 3.473 19.468 -0.076 1.00 0.00 C ATOM 836 OE1 GLU A 58 3.140 19.606 -1.272 1.00 0.00 O ATOM 837 OE2 GLU A 58 4.423 18.731 0.288 1.00 0.00 O ATOM 0 H GLU A 58 -0.371 18.144 -0.611 1.00 0.00 H new ATOM 0 HA GLU A 58 2.019 17.632 0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.795 19.866 -0.270 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.419 20.077 1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.599 21.129 0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.865 19.706 1.985 1.00 0.00 H new ATOM 844 N PRO A 59 -0.380 17.912 2.933 1.00 0.00 N ATOM 845 CA PRO A 59 -0.529 17.776 4.372 1.00 0.00 C ATOM 846 C PRO A 59 -0.449 16.300 4.795 1.00 0.00 C ATOM 847 O PRO A 59 -0.400 15.997 5.990 1.00 0.00 O ATOM 848 CB PRO A 59 -1.880 18.424 4.686 1.00 0.00 C ATOM 849 CG PRO A 59 -2.704 18.162 3.423 1.00 0.00 C ATOM 850 CD PRO A 59 -1.676 18.159 2.290 1.00 0.00 C ATOM 0 HA PRO A 59 0.270 18.262 4.932 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.343 17.980 5.567 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.777 19.491 4.884 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.231 17.210 3.483 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.458 18.935 3.273 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.903 17.385 1.557 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.675 19.111 1.759 1.00 0.00 H new ATOM 858 N VAL A 60 -0.416 15.398 3.812 1.00 0.00 N ATOM 859 CA VAL A 60 -0.283 13.968 3.936 1.00 0.00 C ATOM 860 C VAL A 60 1.179 13.562 3.719 1.00 0.00 C ATOM 861 O VAL A 60 1.672 12.745 4.491 1.00 0.00 O ATOM 862 CB VAL A 60 -1.269 13.325 2.944 1.00 0.00 C ATOM 863 CG1 VAL A 60 -1.166 11.811 2.937 1.00 0.00 C ATOM 864 CG2 VAL A 60 -2.715 13.683 3.318 1.00 0.00 C ATOM 0 H VAL A 60 -0.488 15.685 2.836 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.536 13.613 4.935 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.009 13.712 1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.880 11.401 2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.156 11.516 2.651 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.388 11.427 3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.400 13.221 2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.932 13.317 4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.840 14.765 3.291 1.00 0.00 H new ATOM 874 N ARG A 61 1.901 14.145 2.746 1.00 0.00 N ATOM 875 CA ARG A 61 3.309 13.849 2.476 1.00 0.00 C ATOM 876 C ARG A 61 4.079 13.935 3.776 1.00 0.00 C ATOM 877 O ARG A 61 4.665 12.947 4.210 1.00 0.00 O ATOM 878 CB ARG A 61 3.940 14.803 1.433 1.00 0.00 C ATOM 879 CG ARG A 61 3.625 14.439 -0.021 1.00 0.00 C ATOM 880 CD ARG A 61 4.651 14.969 -1.036 1.00 0.00 C ATOM 881 NE ARG A 61 4.348 16.329 -1.523 1.00 0.00 N ATOM 882 CZ ARG A 61 4.594 16.794 -2.755 1.00 0.00 C ATOM 883 NH1 ARG A 61 5.382 16.120 -3.588 1.00 0.00 N ATOM 884 NH2 ARG A 61 4.056 17.926 -3.173 1.00 0.00 N ATOM 0 H ARG A 61 1.511 14.847 2.117 1.00 0.00 H new ATOM 0 HA ARG A 61 3.361 12.846 2.052 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.590 15.817 1.626 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.022 14.808 1.569 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.570 13.354 -0.109 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.640 14.830 -0.277 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.639 14.968 -0.576 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.694 14.288 -1.886 1.00 0.00 H new ATOM 0 HE ARG A 61 3.912 16.972 -0.862 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.805 15.241 -3.291 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.563 16.482 -4.524 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.444 18.459 -2.555 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.253 18.267 -4.114 1.00 0.00 H new ATOM 898 N GLN A 62 4.055 15.099 4.415 1.00 0.00 N ATOM 899 CA GLN A 62 4.795 15.287 5.648 1.00 0.00 C ATOM 900 C GLN A 62 4.244 14.414 6.772 1.00 0.00 C ATOM 901 O GLN A 62 5.034 14.035 7.628 1.00 0.00 O ATOM 902 CB GLN A 62 4.899 16.762 6.037 1.00 0.00 C ATOM 903 CG GLN A 62 3.532 17.393 6.287 1.00 0.00 C ATOM 904 CD GLN A 62 3.619 18.913 6.257 1.00 0.00 C ATOM 905 OE1 GLN A 62 3.597 19.561 7.304 1.00 0.00 O ATOM 906 NE2 GLN A 62 3.760 19.499 5.085 1.00 0.00 N ATOM 0 H GLN A 62 3.535 15.918 4.100 1.00 0.00 H new ATOM 0 HA GLN A 62 5.817 14.952 5.469 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.510 16.856 6.935 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.410 17.309 5.245 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.826 17.051 5.531 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.148 17.066 7.253 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.775 18.938 4.233 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.854 20.513 5.030 1.00 0.00 H new ATOM 915 N LYS A 63 2.955 14.031 6.793 1.00 0.00 N ATOM 916 CA LYS A 63 2.516 13.036 7.750 1.00 0.00 C ATOM 917 C LYS A 63 3.303 11.745 7.553 1.00 0.00 C ATOM 918 O LYS A 63 4.067 11.403 8.428 1.00 0.00 O ATOM 919 CB LYS A 63 1.005 12.812 7.685 1.00 0.00 C ATOM 920 CG LYS A 63 0.314 13.027 9.036 1.00 0.00 C ATOM 921 CD LYS A 63 0.124 14.518 9.333 1.00 0.00 C ATOM 922 CE LYS A 63 -0.795 14.759 10.539 1.00 0.00 C ATOM 923 NZ LYS A 63 -0.959 16.205 10.807 1.00 0.00 N ATOM 0 H LYS A 63 2.229 14.390 6.173 1.00 0.00 H new ATOM 0 HA LYS A 63 2.720 13.406 8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.573 13.490 6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.807 11.798 7.338 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.655 12.528 9.035 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.907 12.569 9.827 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.095 14.975 9.522 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.295 15.011 8.456 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.770 14.308 10.352 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.380 14.268 11.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.585 16.337 11.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.031 16.628 11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.377 16.667 9.974 1.00 0.00 H new ATOM 937 N ILE A 64 3.206 11.038 6.429 1.00 0.00 N ATOM 938 CA ILE A 64 3.930 9.812 6.127 1.00 0.00 C ATOM 939 C ILE A 64 5.439 10.012 6.340 1.00 0.00 C ATOM 940 O ILE A 64 6.097 9.114 6.864 1.00 0.00 O ATOM 941 CB ILE A 64 3.522 9.339 4.710 1.00 0.00 C ATOM 942 CG1 ILE A 64 2.091 8.760 4.595 1.00 0.00 C ATOM 943 CG2 ILE A 64 4.440 8.242 4.190 1.00 0.00 C ATOM 944 CD1 ILE A 64 1.036 9.813 4.330 1.00 0.00 C ATOM 0 H ILE A 64 2.589 11.322 5.668 1.00 0.00 H new ATOM 0 HA ILE A 64 3.664 9.008 6.813 1.00 0.00 H new ATOM 0 HB ILE A 64 3.589 10.259 4.129 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.068 8.024 3.792 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.845 8.234 5.517 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.118 7.940 3.194 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.463 8.616 4.143 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.398 7.384 4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.057 9.338 4.261 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.031 10.537 5.145 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.259 10.323 3.393 1.00 0.00 H new ATOM 956 N ALA A 65 5.981 11.187 6.024 1.00 0.00 N ATOM 957 CA ALA A 65 7.391 11.494 6.190 1.00 0.00 C ATOM 958 C ALA A 65 7.832 11.321 7.651 1.00 0.00 C ATOM 959 O ALA A 65 8.992 11.010 7.928 1.00 0.00 O ATOM 960 CB ALA A 65 7.647 12.930 5.732 1.00 0.00 C ATOM 0 H ALA A 65 5.440 11.961 5.640 1.00 0.00 H new ATOM 0 HA ALA A 65 7.973 10.800 5.584 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.704 13.168 5.854 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.371 13.032 4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.049 13.616 6.333 1.00 0.00 H new ATOM 966 N LEU A 66 6.933 11.629 8.585 1.00 0.00 N ATOM 967 CA LEU A 66 7.123 11.616 10.026 1.00 0.00 C ATOM 968 C LEU A 66 6.513 10.376 10.678 1.00 0.00 C ATOM 969 O LEU A 66 7.174 9.675 11.439 1.00 0.00 O ATOM 970 CB LEU A 66 6.514 12.909 10.592 1.00 0.00 C ATOM 971 CG LEU A 66 7.111 14.192 9.976 1.00 0.00 C ATOM 972 CD1 LEU A 66 6.295 15.427 10.369 1.00 0.00 C ATOM 973 CD2 LEU A 66 8.588 14.304 10.340 1.00 0.00 C ATOM 0 H LEU A 66 5.987 11.914 8.331 1.00 0.00 H new ATOM 0 HA LEU A 66 8.188 11.572 10.252 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.438 12.900 10.420 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.664 12.930 11.671 1.00 0.00 H new ATOM 0 HG LEU A 66 7.052 14.133 8.889 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.740 16.315 9.920 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.271 15.315 10.013 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.293 15.531 11.454 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.003 15.212 9.902 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.694 14.343 11.424 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.125 13.437 9.954 1.00 0.00 H new ATOM 985 N THR A 67 5.227 10.133 10.443 1.00 0.00 N ATOM 986 CA THR A 67 4.401 9.090 11.038 1.00 0.00 C ATOM 987 C THR A 67 4.857 7.710 10.555 1.00 0.00 C ATOM 988 O THR A 67 4.779 6.721 11.285 1.00 0.00 O ATOM 989 CB THR A 67 2.946 9.402 10.634 1.00 0.00 C ATOM 990 OG1 THR A 67 2.554 10.690 11.096 1.00 0.00 O ATOM 991 CG2 THR A 67 1.946 8.371 11.134 1.00 0.00 C ATOM 0 H THR A 67 4.697 10.702 9.783 1.00 0.00 H new ATOM 0 HA THR A 67 4.488 9.071 12.124 1.00 0.00 H new ATOM 0 HB THR A 67 2.933 9.373 9.544 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.866 11.373 10.466 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.943 8.652 10.814 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.197 7.393 10.724 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.981 8.328 12.223 1.00 0.00 H new ATOM 999 N HIS A 68 5.396 7.648 9.337 1.00 0.00 N ATOM 1000 CA HIS A 68 5.926 6.432 8.750 1.00 0.00 C ATOM 1001 C HIS A 68 7.427 6.576 8.560 1.00 0.00 C ATOM 1002 O HIS A 68 8.009 5.915 7.700 1.00 0.00 O ATOM 1003 CB HIS A 68 5.159 6.063 7.479 1.00 0.00 C ATOM 1004 CG HIS A 68 3.740 5.648 7.761 1.00 0.00 C ATOM 1005 ND1 HIS A 68 2.622 6.417 7.588 1.00 0.00 N flip ATOM 1006 CD2 HIS A 68 3.341 4.463 8.338 1.00 0.00 C flip ATOM 1007 CE1 HIS A 68 1.518 5.666 7.994 1.00 0.00 C flip ATOM 1008 NE2 HIS A 68 2.008 4.509 8.469 1.00 0.00 N flip ATOM 0 H HIS A 68 5.475 8.460 8.725 1.00 0.00 H new ATOM 0 HA HIS A 68 5.778 5.587 9.423 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.156 6.916 6.800 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.677 5.251 6.969 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.984 3.646 8.631 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.479 5.956 7.938 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.441 3.765 8.875 1.00 0.00 H new ATOM 1016 N LYS A 69 8.088 7.417 9.364 1.00 0.00 N ATOM 1017 CA LYS A 69 9.533 7.496 9.344 1.00 0.00 C ATOM 1018 C LYS A 69 10.177 6.143 9.603 1.00 0.00 C ATOM 1019 O LYS A 69 11.177 5.839 8.963 1.00 0.00 O ATOM 1020 CB LYS A 69 10.009 8.566 10.317 1.00 0.00 C ATOM 1021 CG LYS A 69 11.539 8.570 10.394 1.00 0.00 C ATOM 1022 CD LYS A 69 12.079 9.662 11.313 1.00 0.00 C ATOM 1023 CE LYS A 69 13.066 10.498 10.521 1.00 0.00 C ATOM 1024 NZ LYS A 69 13.775 11.478 11.368 1.00 0.00 N ATOM 0 H LYS A 69 7.638 8.045 10.030 1.00 0.00 H new ATOM 0 HA LYS A 69 9.852 7.790 8.344 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.651 9.544 9.996 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.589 8.382 11.306 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.883 7.599 10.749 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.949 8.707 9.393 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.265 10.284 11.684 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.565 9.221 12.183 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.793 9.842 10.042 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.538 11.023 9.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.438 12.026 10.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.085 12.122 11.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.301 10.977 12.112 1.00 0.00 H new ATOM 1038 N ASN A 70 9.617 5.294 10.462 1.00 0.00 N ATOM 1039 CA ASN A 70 10.195 3.973 10.623 1.00 0.00 C ATOM 1040 C ASN A 70 10.145 3.150 9.329 1.00 0.00 C ATOM 1041 O ASN A 70 11.004 2.298 9.109 1.00 0.00 O ATOM 1042 CB ASN A 70 9.487 3.226 11.746 1.00 0.00 C ATOM 1043 CG ASN A 70 10.258 1.956 12.031 1.00 0.00 C ATOM 1044 OD1 ASN A 70 9.730 0.861 11.916 1.00 0.00 O ATOM 1045 ND2 ASN A 70 11.525 2.081 12.378 1.00 0.00 N ATOM 0 H ASN A 70 8.796 5.490 11.035 1.00 0.00 H new ATOM 0 HA ASN A 70 11.246 4.109 10.878 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.434 3.847 12.640 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.462 2.992 11.459 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.089 1.250 12.558 1.00 0.00 H new ATOM 0 HD22 ASN A 70 11.940 3.008 12.467 1.00 0.00 H new ATOM 1052 N LYS A 71 9.168 3.415 8.456 1.00 0.00 N ATOM 1053 CA LYS A 71 9.058 2.783 7.149 1.00 0.00 C ATOM 1054 C LYS A 71 9.948 3.438 6.086 1.00 0.00 C ATOM 1055 O LYS A 71 10.083 2.895 4.987 1.00 0.00 O ATOM 1056 CB LYS A 71 7.615 2.801 6.654 1.00 0.00 C ATOM 1057 CG LYS A 71 6.484 2.370 7.603 1.00 0.00 C ATOM 1058 CD LYS A 71 6.362 0.852 7.785 1.00 0.00 C ATOM 1059 CE LYS A 71 5.755 0.116 6.570 1.00 0.00 C ATOM 1060 NZ LYS A 71 5.583 -1.322 6.885 1.00 0.00 N ATOM 0 H LYS A 71 8.423 4.085 8.646 1.00 0.00 H new ATOM 0 HA LYS A 71 9.399 1.757 7.290 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.395 3.816 6.324 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.564 2.161 5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.647 2.830 8.578 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.538 2.756 7.223 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.351 0.441 7.988 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.747 0.651 8.662 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.793 0.558 6.310 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.404 0.232 5.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.174 -1.811 6.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.508 -1.741 7.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.946 -1.425 7.701 1.00 0.00 H new ATOM 1074 N ILE A 72 10.547 4.599 6.349 1.00 0.00 N ATOM 1075 CA ILE A 72 11.499 5.201 5.419 1.00 0.00 C ATOM 1076 C ILE A 72 12.760 4.340 5.411 1.00 0.00 C ATOM 1077 O ILE A 72 13.042 3.642 6.388 1.00 0.00 O ATOM 1078 CB ILE A 72 11.736 6.676 5.811 1.00 0.00 C ATOM 1079 CG1 ILE A 72 10.469 7.478 5.450 1.00 0.00 C ATOM 1080 CG2 ILE A 72 12.989 7.347 5.235 1.00 0.00 C ATOM 1081 CD1 ILE A 72 10.464 8.914 5.974 1.00 0.00 C ATOM 0 H ILE A 72 10.389 5.141 7.199 1.00 0.00 H new ATOM 0 HA ILE A 72 11.121 5.225 4.397 1.00 0.00 H new ATOM 0 HB ILE A 72 11.932 6.673 6.883 1.00 0.00 H new ATOM 0 HG12 ILE A 72 10.363 7.499 4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.598 6.956 5.845 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.042 8.378 5.583 1.00 0.00 H new ATOM 0 HG22 ILE A 72 13.876 6.806 5.566 1.00 0.00 H new ATOM 0 HG23 ILE A 72 12.941 7.334 4.146 1.00 0.00 H new ATOM 0 HD11 ILE A 72 9.538 9.407 5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.536 8.905 7.062 1.00 0.00 H new ATOM 0 HD13 ILE A 72 11.314 9.456 5.558 1.00 0.00 H new ATOM 1093 N ASN A 73 13.513 4.384 4.311 1.00 0.00 N ATOM 1094 CA ASN A 73 14.849 3.806 4.251 1.00 0.00 C ATOM 1095 C ASN A 73 15.789 4.602 5.160 1.00 0.00 C ATOM 1096 O ASN A 73 15.945 4.286 6.340 1.00 0.00 O ATOM 1097 CB ASN A 73 15.344 3.660 2.796 1.00 0.00 C ATOM 1098 CG ASN A 73 15.470 4.934 1.953 1.00 0.00 C ATOM 1099 OD1 ASN A 73 14.915 5.988 2.265 1.00 0.00 O ATOM 1100 ND2 ASN A 73 16.270 4.901 0.910 1.00 0.00 N ATOM 0 H ASN A 73 13.211 4.821 3.440 1.00 0.00 H new ATOM 0 HA ASN A 73 14.827 2.785 4.633 1.00 0.00 H new ATOM 0 HB2 ASN A 73 16.321 3.177 2.821 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.666 2.981 2.278 1.00 0.00 H new ATOM 0 HD21 ASN A 73 16.429 5.747 0.362 1.00 0.00 H new ATOM 0 HD22 ASN A 73 16.731 4.030 0.649 1.00 0.00 H new ATOM 1107 N LYS A 74 16.367 5.682 4.646 1.00 0.00 N ATOM 1108 CA LYS A 74 17.162 6.668 5.360 1.00 0.00 C ATOM 1109 C LYS A 74 17.148 7.954 4.542 1.00 0.00 C ATOM 1110 O LYS A 74 17.118 9.032 5.129 1.00 0.00 O ATOM 1111 CB LYS A 74 18.610 6.168 5.565 1.00 0.00 C ATOM 1112 CG LYS A 74 19.117 6.332 7.007 1.00 0.00 C ATOM 1113 CD LYS A 74 19.161 7.786 7.501 1.00 0.00 C ATOM 1114 CE LYS A 74 19.754 7.832 8.913 1.00 0.00 C ATOM 1115 NZ LYS A 74 19.648 9.173 9.521 1.00 0.00 N ATOM 0 H LYS A 74 16.286 5.904 3.654 1.00 0.00 H new ATOM 0 HA LYS A 74 16.741 6.843 6.350 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.665 5.116 5.286 1.00 0.00 H new ATOM 0 HB3 LYS A 74 19.272 6.712 4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.476 5.754 7.673 1.00 0.00 H new ATOM 0 HG3 LYS A 74 20.118 5.906 7.078 1.00 0.00 H new ATOM 0 HD2 LYS A 74 19.762 8.393 6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 74 18.157 8.210 7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 74 19.240 7.107 9.544 1.00 0.00 H new ATOM 0 HE3 LYS A 74 20.802 7.535 8.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 20.062 9.155 10.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 20.160 9.862 8.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 18.647 9.448 9.583 1.00 0.00 H new ATOM 1129 N ALA A 75 17.147 7.853 3.206 1.00 0.00 N ATOM 1130 CA ALA A 75 17.079 8.995 2.306 1.00 0.00 C ATOM 1131 C ALA A 75 15.824 9.822 2.566 1.00 0.00 C ATOM 1132 O ALA A 75 15.875 11.042 2.514 1.00 0.00 O ATOM 1133 CB ALA A 75 17.108 8.511 0.850 1.00 0.00 C ATOM 0 H ALA A 75 17.194 6.958 2.720 1.00 0.00 H new ATOM 0 HA ALA A 75 17.944 9.632 2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 75 17.057 9.369 0.180 1.00 0.00 H new ATOM 0 HB2 ALA A 75 18.032 7.963 0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.256 7.857 0.667 1.00 0.00 H new ATOM 1139 N GLY A 76 14.693 9.166 2.833 1.00 0.00 N ATOM 1140 CA GLY A 76 13.383 9.787 2.717 1.00 0.00 C ATOM 1141 C GLY A 76 12.507 9.056 1.707 1.00 0.00 C ATOM 1142 O GLY A 76 11.344 9.440 1.537 1.00 0.00 O ATOM 0 H GLY A 76 14.665 8.192 3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.893 9.790 3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.498 10.828 2.415 1.00 0.00 H new ATOM 1146 N GLU A 77 13.011 8.017 1.030 1.00 0.00 N ATOM 1147 CA GLU A 77 12.137 7.123 0.292 1.00 0.00 C ATOM 1148 C GLU A 77 11.335 6.329 1.312 1.00 0.00 C ATOM 1149 O GLU A 77 11.860 5.851 2.320 1.00 0.00 O ATOM 1150 CB GLU A 77 12.872 6.189 -0.673 1.00 0.00 C ATOM 1151 CG GLU A 77 13.606 6.958 -1.782 1.00 0.00 C ATOM 1152 CD GLU A 77 13.678 6.141 -3.071 1.00 0.00 C ATOM 1153 OE1 GLU A 77 14.456 5.171 -3.122 1.00 0.00 O ATOM 1154 OE2 GLU A 77 12.948 6.470 -4.044 1.00 0.00 O ATOM 0 H GLU A 77 14.003 7.784 0.983 1.00 0.00 H new ATOM 0 HA GLU A 77 11.491 7.724 -0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.589 5.586 -0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.158 5.500 -1.123 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.093 7.900 -1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.614 7.206 -1.449 1.00 0.00 H new ATOM 1161 N LEU A 78 10.037 6.235 1.067 1.00 0.00 N ATOM 1162 CA LEU A 78 9.150 5.390 1.830 1.00 0.00 C ATOM 1163 C LEU A 78 9.279 4.002 1.230 1.00 0.00 C ATOM 1164 O LEU A 78 9.157 3.895 0.009 1.00 0.00 O ATOM 1165 CB LEU A 78 7.715 5.915 1.678 1.00 0.00 C ATOM 1166 CG LEU A 78 6.761 5.206 2.649 1.00 0.00 C ATOM 1167 CD1 LEU A 78 6.989 5.724 4.068 1.00 0.00 C ATOM 1168 CD2 LEU A 78 5.296 5.434 2.282 1.00 0.00 C ATOM 0 H LEU A 78 9.571 6.752 0.322 1.00 0.00 H new ATOM 0 HA LEU A 78 9.394 5.377 2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.696 6.989 1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.375 5.763 0.654 1.00 0.00 H new ATOM 0 HG LEU A 78 6.973 4.139 2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.310 5.218 4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.019 5.527 4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.802 6.797 4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.657 4.914 2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.076 6.501 2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.108 5.049 1.280 1.00 0.00 H new ATOM 1180 N VAL A 79 9.527 2.972 2.039 1.00 0.00 N ATOM 1181 CA VAL A 79 9.652 1.602 1.558 1.00 0.00 C ATOM 1182 C VAL A 79 8.680 0.738 2.359 1.00 0.00 C ATOM 1183 O VAL A 79 8.580 0.885 3.583 1.00 0.00 O ATOM 1184 CB VAL A 79 11.130 1.137 1.645 1.00 0.00 C ATOM 1185 CG1 VAL A 79 11.310 -0.210 0.928 1.00 0.00 C ATOM 1186 CG2 VAL A 79 12.117 2.178 1.077 1.00 0.00 C ATOM 0 H VAL A 79 9.647 3.067 3.047 1.00 0.00 H new ATOM 0 HA VAL A 79 9.386 1.516 0.505 1.00 0.00 H new ATOM 0 HB VAL A 79 11.362 1.021 2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.352 -0.523 0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.674 -0.960 1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 79 11.032 -0.104 -0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.135 1.799 1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.887 2.363 0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.027 3.109 1.637 1.00 0.00 H new ATOM 1196 N LEU A 80 7.928 -0.150 1.708 1.00 0.00 N ATOM 1197 CA LEU A 80 7.119 -1.150 2.382 1.00 0.00 C ATOM 1198 C LEU A 80 7.012 -2.404 1.540 1.00 0.00 C ATOM 1199 O LEU A 80 7.220 -2.367 0.329 1.00 0.00 O ATOM 1200 CB LEU A 80 5.748 -0.575 2.766 1.00 0.00 C ATOM 1201 CG LEU A 80 4.609 -0.481 1.737 1.00 0.00 C ATOM 1202 CD1 LEU A 80 3.452 0.320 2.351 1.00 0.00 C ATOM 1203 CD2 LEU A 80 5.031 0.274 0.486 1.00 0.00 C ATOM 0 H LEU A 80 7.867 -0.191 0.691 1.00 0.00 H new ATOM 0 HA LEU A 80 7.610 -1.434 3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.375 -1.169 3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.920 0.433 3.144 1.00 0.00 H new ATOM 0 HG LEU A 80 4.327 -1.501 1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.638 0.394 1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.097 -0.184 3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.799 1.320 2.610 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.196 0.316 -0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.330 1.287 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.871 -0.239 0.017 1.00 0.00 H new ATOM 1215 N THR A 81 6.642 -3.509 2.176 1.00 0.00 N ATOM 1216 CA THR A 81 6.488 -4.805 1.536 1.00 0.00 C ATOM 1217 C THR A 81 5.217 -5.423 2.137 1.00 0.00 C ATOM 1218 O THR A 81 4.902 -5.137 3.298 1.00 0.00 O ATOM 1219 CB THR A 81 7.795 -5.634 1.701 1.00 0.00 C ATOM 1220 OG1 THR A 81 7.853 -6.322 2.933 1.00 0.00 O ATOM 1221 CG2 THR A 81 9.079 -4.792 1.661 1.00 0.00 C ATOM 0 H THR A 81 6.436 -3.527 3.175 1.00 0.00 H new ATOM 0 HA THR A 81 6.352 -4.755 0.456 1.00 0.00 H new ATOM 0 HB THR A 81 7.752 -6.315 0.851 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.813 -7.288 2.771 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.945 -5.443 1.783 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.145 -4.275 0.704 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.059 -4.060 2.468 1.00 0.00 H new ATOM 1229 N SER A 82 4.427 -6.161 1.359 1.00 0.00 N ATOM 1230 CA SER A 82 3.168 -6.736 1.815 1.00 0.00 C ATOM 1231 C SER A 82 3.041 -8.112 1.165 1.00 0.00 C ATOM 1232 O SER A 82 2.991 -8.188 -0.067 1.00 0.00 O ATOM 1233 CB SER A 82 2.022 -5.759 1.478 1.00 0.00 C ATOM 1234 OG SER A 82 0.976 -5.816 2.424 1.00 0.00 O ATOM 0 H SER A 82 4.647 -6.377 0.387 1.00 0.00 H new ATOM 0 HA SER A 82 3.125 -6.879 2.895 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.414 -4.743 1.434 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.628 -5.992 0.489 1.00 0.00 H new ATOM 0 HG SER A 82 0.346 -6.524 2.173 1.00 0.00 H new ATOM 1240 N GLU A 83 3.011 -9.194 1.947 1.00 0.00 N ATOM 1241 CA GLU A 83 3.111 -10.549 1.418 1.00 0.00 C ATOM 1242 C GLU A 83 2.025 -11.432 1.995 1.00 0.00 C ATOM 1243 O GLU A 83 1.984 -11.655 3.206 1.00 0.00 O ATOM 1244 CB GLU A 83 4.454 -11.226 1.709 1.00 0.00 C ATOM 1245 CG GLU A 83 5.702 -10.392 1.479 1.00 0.00 C ATOM 1246 CD GLU A 83 6.079 -9.466 2.642 1.00 0.00 C ATOM 1247 OE1 GLU A 83 5.499 -9.578 3.745 1.00 0.00 O ATOM 1248 OE2 GLU A 83 7.043 -8.682 2.480 1.00 0.00 O ATOM 0 H GLU A 83 2.917 -9.152 2.962 1.00 0.00 H new ATOM 0 HA GLU A 83 3.006 -10.438 0.339 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.451 -11.555 2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.525 -12.121 1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.538 -11.062 1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.558 -9.788 0.583 1.00 0.00 H new ATOM 1255 N SER A 84 1.210 -12.012 1.126 1.00 0.00 N ATOM 1256 CA SER A 84 0.401 -13.185 1.419 1.00 0.00 C ATOM 1257 C SER A 84 0.188 -14.068 0.180 1.00 0.00 C ATOM 1258 O SER A 84 -0.178 -15.231 0.344 1.00 0.00 O ATOM 1259 CB SER A 84 -0.952 -12.746 1.976 1.00 0.00 C ATOM 1260 OG SER A 84 -0.857 -12.336 3.327 1.00 0.00 O ATOM 0 H SER A 84 1.090 -11.670 0.172 1.00 0.00 H new ATOM 0 HA SER A 84 0.938 -13.780 2.157 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.344 -11.926 1.374 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.662 -13.569 1.895 1.00 0.00 H new ATOM 0 HG SER A 84 0.082 -12.174 3.554 1.00 0.00 H new ATOM 1266 N SER A 85 0.432 -13.589 -1.045 1.00 0.00 N ATOM 1267 CA SER A 85 0.160 -14.330 -2.262 1.00 0.00 C ATOM 1268 C SER A 85 1.413 -14.958 -2.874 1.00 0.00 C ATOM 1269 O SER A 85 2.532 -14.543 -2.590 1.00 0.00 O ATOM 1270 CB SER A 85 -0.490 -13.379 -3.269 1.00 0.00 C ATOM 1271 OG SER A 85 -1.892 -13.328 -3.120 1.00 0.00 O ATOM 0 H SER A 85 0.829 -12.664 -1.211 1.00 0.00 H new ATOM 0 HA SER A 85 -0.506 -15.156 -2.011 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.076 -12.379 -3.143 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.245 -13.700 -4.281 1.00 0.00 H new ATOM 0 HG SER A 85 -2.313 -13.908 -3.788 1.00 0.00 H new ATOM 1277 N ARG A 86 1.193 -15.896 -3.800 1.00 0.00 N ATOM 1278 CA ARG A 86 2.179 -16.480 -4.723 1.00 0.00 C ATOM 1279 C ARG A 86 2.369 -15.671 -6.008 1.00 0.00 C ATOM 1280 O ARG A 86 3.207 -16.045 -6.830 1.00 0.00 O ATOM 1281 CB ARG A 86 1.686 -17.893 -5.100 1.00 0.00 C ATOM 1282 CG ARG A 86 0.335 -17.878 -5.860 1.00 0.00 C ATOM 1283 CD ARG A 86 -0.779 -18.656 -5.153 1.00 0.00 C ATOM 1284 NE ARG A 86 -0.926 -20.041 -5.623 1.00 0.00 N ATOM 1285 CZ ARG A 86 -0.346 -21.145 -5.145 1.00 0.00 C ATOM 1286 NH1 ARG A 86 0.540 -21.099 -4.157 1.00 0.00 N ATOM 1287 NH2 ARG A 86 -0.674 -22.312 -5.681 1.00 0.00 N ATOM 0 H ARG A 86 0.264 -16.295 -3.936 1.00 0.00 H new ATOM 0 HA ARG A 86 3.143 -16.491 -4.214 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.439 -18.382 -5.718 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.581 -18.489 -4.194 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.015 -16.845 -5.994 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.484 -18.297 -6.855 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.579 -18.665 -4.081 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.723 -18.131 -5.297 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.552 -20.176 -6.417 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.795 -20.203 -3.742 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.966 -21.960 -3.813 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.354 -22.351 -6.440 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.246 -23.171 -5.335 1.00 0.00 H new ATOM 1301 N TYR A 87 1.568 -14.636 -6.233 1.00 0.00 N ATOM 1302 CA TYR A 87 1.554 -13.849 -7.462 1.00 0.00 C ATOM 1303 C TYR A 87 2.499 -12.654 -7.338 1.00 0.00 C ATOM 1304 O TYR A 87 2.963 -12.350 -6.241 1.00 0.00 O ATOM 1305 CB TYR A 87 0.128 -13.340 -7.680 1.00 0.00 C ATOM 1306 CG TYR A 87 -0.953 -14.401 -7.560 1.00 0.00 C ATOM 1307 CD1 TYR A 87 -1.100 -15.421 -8.518 1.00 0.00 C ATOM 1308 CD2 TYR A 87 -1.798 -14.391 -6.439 1.00 0.00 C ATOM 1309 CE1 TYR A 87 -2.081 -16.418 -8.340 1.00 0.00 C ATOM 1310 CE2 TYR A 87 -2.771 -15.375 -6.245 1.00 0.00 C ATOM 1311 CZ TYR A 87 -2.919 -16.403 -7.199 1.00 0.00 C ATOM 1312 OH TYR A 87 -3.850 -17.380 -7.010 1.00 0.00 O ATOM 0 H TYR A 87 0.889 -14.311 -5.545 1.00 0.00 H new ATOM 0 HA TYR A 87 1.880 -14.466 -8.299 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.076 -12.551 -6.956 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.066 -12.888 -8.670 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.462 -15.440 -9.389 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.693 -13.603 -5.708 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.194 -17.198 -9.079 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.405 -15.348 -5.371 1.00 0.00 H new ATOM 0 HH TYR A 87 -4.335 -17.213 -6.175 1.00 0.00 H new ATOM 1322 N GLN A 88 2.723 -11.919 -8.428 1.00 0.00 N ATOM 1323 CA GLN A 88 3.384 -10.619 -8.377 1.00 0.00 C ATOM 1324 C GLN A 88 2.354 -9.542 -8.005 1.00 0.00 C ATOM 1325 O GLN A 88 2.261 -9.147 -6.841 1.00 0.00 O ATOM 1326 CB GLN A 88 4.206 -10.364 -9.657 1.00 0.00 C ATOM 1327 CG GLN A 88 3.439 -10.248 -10.988 1.00 0.00 C ATOM 1328 CD GLN A 88 4.263 -10.651 -12.212 1.00 0.00 C ATOM 1329 OE1 GLN A 88 5.486 -10.618 -12.220 1.00 0.00 O ATOM 1330 NE2 GLN A 88 3.595 -11.086 -13.269 1.00 0.00 N ATOM 0 H GLN A 88 2.451 -12.209 -9.367 1.00 0.00 H new ATOM 0 HA GLN A 88 4.134 -10.588 -7.587 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.772 -9.443 -9.515 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.931 -11.172 -9.757 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.548 -10.874 -10.939 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.099 -9.220 -11.113 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.575 -11.110 -13.253 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.100 -11.397 -14.099 1.00 0.00 H new ATOM 1339 N PHE A 89 1.526 -9.102 -8.962 1.00 0.00 N ATOM 1340 CA PHE A 89 0.658 -7.937 -8.805 1.00 0.00 C ATOM 1341 C PHE A 89 -0.352 -8.105 -7.661 1.00 0.00 C ATOM 1342 O PHE A 89 -0.727 -7.120 -7.046 1.00 0.00 O ATOM 1343 CB PHE A 89 -0.008 -7.585 -10.146 1.00 0.00 C ATOM 1344 CG PHE A 89 -1.113 -6.541 -10.109 1.00 0.00 C ATOM 1345 CD1 PHE A 89 -2.395 -6.866 -9.619 1.00 0.00 C ATOM 1346 CD2 PHE A 89 -0.871 -5.245 -10.599 1.00 0.00 C ATOM 1347 CE1 PHE A 89 -3.406 -5.893 -9.579 1.00 0.00 C ATOM 1348 CE2 PHE A 89 -1.898 -4.288 -10.605 1.00 0.00 C ATOM 1349 CZ PHE A 89 -3.166 -4.609 -10.088 1.00 0.00 C ATOM 0 H PHE A 89 1.442 -9.552 -9.874 1.00 0.00 H new ATOM 0 HA PHE A 89 1.279 -7.090 -8.512 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.767 -7.236 -10.829 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.419 -8.500 -10.572 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.600 -7.868 -9.273 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.109 -4.985 -10.972 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.370 -6.134 -9.156 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.714 -3.303 -11.008 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.952 -3.869 -10.083 1.00 0.00 H new ATOM 1359 N ARG A 90 -0.775 -9.320 -7.296 1.00 0.00 N ATOM 1360 CA ARG A 90 -1.710 -9.509 -6.175 1.00 0.00 C ATOM 1361 C ARG A 90 -1.110 -9.011 -4.856 1.00 0.00 C ATOM 1362 O ARG A 90 -1.780 -8.325 -4.092 1.00 0.00 O ATOM 1363 CB ARG A 90 -2.076 -10.991 -6.058 1.00 0.00 C ATOM 1364 CG ARG A 90 -3.465 -11.304 -5.479 1.00 0.00 C ATOM 1365 CD ARG A 90 -3.681 -10.904 -4.009 1.00 0.00 C ATOM 1366 NE ARG A 90 -4.392 -9.626 -3.878 1.00 0.00 N ATOM 1367 CZ ARG A 90 -5.643 -9.355 -4.259 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -6.454 -10.300 -4.727 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -6.053 -8.099 -4.201 1.00 0.00 N ATOM 0 H ARG A 90 -0.488 -10.184 -7.756 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.607 -8.923 -6.375 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.009 -11.440 -7.049 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.327 -11.481 -5.435 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.214 -10.798 -6.088 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.646 -12.375 -5.575 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.246 -11.686 -3.501 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.715 -10.833 -3.508 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.873 -8.860 -3.448 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.125 -11.263 -4.803 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.405 -10.062 -5.010 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.419 -7.370 -3.872 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.003 -7.859 -4.485 1.00 0.00 H new ATOM 1383 N ASN A 91 0.148 -9.362 -4.579 1.00 0.00 N ATOM 1384 CA ASN A 91 0.847 -8.893 -3.383 1.00 0.00 C ATOM 1385 C ASN A 91 1.043 -7.384 -3.475 1.00 0.00 C ATOM 1386 O ASN A 91 0.913 -6.648 -2.498 1.00 0.00 O ATOM 1387 CB ASN A 91 2.230 -9.549 -3.290 1.00 0.00 C ATOM 1388 CG ASN A 91 2.205 -10.957 -2.745 1.00 0.00 C ATOM 1389 OD1 ASN A 91 1.820 -11.200 -1.610 1.00 0.00 O ATOM 1390 ND2 ASN A 91 2.601 -11.931 -3.536 1.00 0.00 N ATOM 0 H ASN A 91 0.706 -9.975 -5.173 1.00 0.00 H new ATOM 0 HA ASN A 91 0.254 -9.152 -2.506 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.682 -9.562 -4.282 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.870 -8.936 -2.656 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.588 -12.895 -3.204 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.921 -11.722 -4.482 1.00 0.00 H new ATOM 1397 N LEU A 92 1.386 -6.933 -4.680 1.00 0.00 N ATOM 1398 CA LEU A 92 1.636 -5.543 -5.001 1.00 0.00 C ATOM 1399 C LEU A 92 0.386 -4.691 -4.770 1.00 0.00 C ATOM 1400 O LEU A 92 0.493 -3.598 -4.221 1.00 0.00 O ATOM 1401 CB LEU A 92 2.115 -5.504 -6.462 1.00 0.00 C ATOM 1402 CG LEU A 92 2.815 -4.235 -6.935 1.00 0.00 C ATOM 1403 CD1 LEU A 92 1.804 -3.323 -7.610 1.00 0.00 C ATOM 1404 CD2 LEU A 92 3.580 -3.524 -5.828 1.00 0.00 C ATOM 0 H LEU A 92 1.499 -7.553 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 92 2.400 -5.117 -4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.795 -6.342 -6.616 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.251 -5.672 -7.105 1.00 0.00 H new ATOM 0 HG LEU A 92 3.576 -4.522 -7.661 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.303 -2.415 -7.949 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.365 -3.837 -8.465 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.019 -3.062 -6.901 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.055 -2.629 -6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.890 -3.242 -5.032 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.343 -4.191 -5.427 1.00 0.00 H new ATOM 1416 N ALA A 93 -0.798 -5.212 -5.096 1.00 0.00 N ATOM 1417 CA ALA A 93 -2.072 -4.555 -4.874 1.00 0.00 C ATOM 1418 C ALA A 93 -2.204 -4.157 -3.407 1.00 0.00 C ATOM 1419 O ALA A 93 -2.635 -3.040 -3.134 1.00 0.00 O ATOM 1420 CB ALA A 93 -3.222 -5.459 -5.329 1.00 0.00 C ATOM 0 H ALA A 93 -0.892 -6.129 -5.534 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.120 -3.644 -5.470 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.172 -4.954 -5.157 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.115 -5.677 -6.391 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.199 -6.390 -4.763 1.00 0.00 H new ATOM 1426 N GLU A 94 -1.789 -5.032 -2.484 1.00 0.00 N ATOM 1427 CA GLU A 94 -1.818 -4.785 -1.048 1.00 0.00 C ATOM 1428 C GLU A 94 -0.801 -3.716 -0.649 1.00 0.00 C ATOM 1429 O GLU A 94 -1.103 -2.845 0.162 1.00 0.00 O ATOM 1430 CB GLU A 94 -1.507 -6.083 -0.302 1.00 0.00 C ATOM 1431 CG GLU A 94 -2.109 -6.113 1.104 1.00 0.00 C ATOM 1432 CD GLU A 94 -1.919 -7.516 1.671 1.00 0.00 C ATOM 1433 OE1 GLU A 94 -0.767 -7.852 2.040 1.00 0.00 O ATOM 1434 OE2 GLU A 94 -2.866 -8.332 1.585 1.00 0.00 O ATOM 0 H GLU A 94 -1.416 -5.950 -2.726 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.813 -4.428 -0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.890 -6.928 -0.875 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.426 -6.208 -0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.622 -5.375 1.742 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.168 -5.856 1.070 1.00 0.00 H new ATOM 1441 N CYS A 95 0.401 -3.751 -1.231 1.00 0.00 N ATOM 1442 CA CYS A 95 1.418 -2.732 -1.010 1.00 0.00 C ATOM 1443 C CYS A 95 0.833 -1.353 -1.335 1.00 0.00 C ATOM 1444 O CYS A 95 0.888 -0.434 -0.517 1.00 0.00 O ATOM 1445 CB CYS A 95 2.646 -3.023 -1.884 1.00 0.00 C ATOM 1446 SG CYS A 95 3.412 -4.614 -1.466 1.00 0.00 S ATOM 0 H CYS A 95 0.692 -4.491 -1.870 1.00 0.00 H new ATOM 0 HA CYS A 95 1.731 -2.744 0.034 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.352 -3.026 -2.934 1.00 0.00 H new ATOM 0 HB3 CYS A 95 3.377 -2.224 -1.760 1.00 0.00 H new ATOM 0 HG CYS A 95 2.595 -5.580 -1.764 1.00 0.00 H new ATOM 1452 N LEU A 96 0.269 -1.221 -2.537 1.00 0.00 N ATOM 1453 CA LEU A 96 -0.362 -0.002 -3.021 1.00 0.00 C ATOM 1454 C LEU A 96 -1.668 0.298 -2.279 1.00 0.00 C ATOM 1455 O LEU A 96 -2.110 1.446 -2.266 1.00 0.00 O ATOM 1456 CB LEU A 96 -0.576 -0.087 -4.538 1.00 0.00 C ATOM 1457 CG LEU A 96 0.684 -0.395 -5.377 1.00 0.00 C ATOM 1458 CD1 LEU A 96 0.336 -0.229 -6.858 1.00 0.00 C ATOM 1459 CD2 LEU A 96 1.940 0.419 -5.041 1.00 0.00 C ATOM 0 H LEU A 96 0.240 -1.982 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 96 0.307 0.833 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.321 -0.857 -4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.996 0.859 -4.881 1.00 0.00 H new ATOM 0 HG LEU A 96 0.958 -1.420 -5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.216 -0.443 -7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.464 -0.920 -7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.008 0.794 -7.042 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.757 0.114 -5.695 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.736 1.480 -5.186 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.221 0.242 -4.003 1.00 0.00 H new ATOM 1471 N GLN A 97 -2.279 -0.695 -1.634 1.00 0.00 N ATOM 1472 CA GLN A 97 -3.474 -0.513 -0.832 1.00 0.00 C ATOM 1473 C GLN A 97 -3.104 0.102 0.525 1.00 0.00 C ATOM 1474 O GLN A 97 -3.841 0.975 0.988 1.00 0.00 O ATOM 1475 CB GLN A 97 -4.216 -1.854 -0.696 1.00 0.00 C ATOM 1476 CG GLN A 97 -5.484 -1.844 0.153 1.00 0.00 C ATOM 1477 CD GLN A 97 -6.589 -0.946 -0.403 1.00 0.00 C ATOM 1478 OE1 GLN A 97 -6.942 -0.989 -1.582 1.00 0.00 O ATOM 1479 NE2 GLN A 97 -7.161 -0.115 0.443 1.00 0.00 N ATOM 0 H GLN A 97 -1.948 -1.660 -1.658 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.154 0.184 -1.322 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -4.476 -2.203 -1.695 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.527 -2.585 -0.272 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.863 -2.863 0.236 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.233 -1.514 1.161 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.858 -0.090 1.417 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -7.907 0.504 0.125 1.00 0.00 H new ATOM 1488 N LYS A 98 -1.988 -0.284 1.176 1.00 0.00 N ATOM 1489 CA LYS A 98 -1.650 0.381 2.448 1.00 0.00 C ATOM 1490 C LYS A 98 -1.255 1.811 2.172 1.00 0.00 C ATOM 1491 O LYS A 98 -1.734 2.655 2.910 1.00 0.00 O ATOM 1492 CB LYS A 98 -0.627 -0.283 3.387 1.00 0.00 C ATOM 1493 CG LYS A 98 -0.684 -1.823 3.390 1.00 0.00 C ATOM 1494 CD LYS A 98 0.690 -2.487 3.233 1.00 0.00 C ATOM 1495 CE LYS A 98 1.022 -3.461 4.369 1.00 0.00 C ATOM 1496 NZ LYS A 98 0.814 -2.937 5.745 1.00 0.00 N ATOM 0 H LYS A 98 -1.340 -1.008 0.866 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.572 0.295 3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.375 0.032 3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.793 0.078 4.402 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.137 -2.160 4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.334 -2.156 2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.722 -3.021 2.284 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.457 -1.714 3.190 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.414 -4.357 4.245 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.064 -3.766 4.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.428 -3.451 6.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.048 -1.924 5.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.180 -3.069 6.020 1.00 0.00 H new ATOM 1510 N ILE A 99 -0.533 2.108 1.079 1.00 0.00 N ATOM 1511 CA ILE A 99 -0.357 3.475 0.602 1.00 0.00 C ATOM 1512 C ILE A 99 -1.650 4.295 0.727 1.00 0.00 C ATOM 1513 O ILE A 99 -1.568 5.451 1.138 1.00 0.00 O ATOM 1514 CB ILE A 99 0.232 3.438 -0.827 1.00 0.00 C ATOM 1515 CG1 ILE A 99 1.769 3.282 -0.775 1.00 0.00 C ATOM 1516 CG2 ILE A 99 -0.188 4.631 -1.685 1.00 0.00 C ATOM 1517 CD1 ILE A 99 2.321 2.494 -1.972 1.00 0.00 C ATOM 0 H ILE A 99 -0.060 1.406 0.509 1.00 0.00 H new ATOM 0 HA ILE A 99 0.357 4.000 1.236 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.189 2.562 -1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.230 4.269 -0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.049 2.776 0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.260 4.543 -2.675 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.274 4.648 -1.778 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.150 5.554 -1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.405 2.414 -1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.883 1.496 -1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 99 2.068 3.012 -2.897 1.00 0.00 H new ATOM 1529 N ARG A 100 -2.818 3.730 0.394 1.00 0.00 N ATOM 1530 CA ARG A 100 -4.089 4.434 0.491 1.00 0.00 C ATOM 1531 C ARG A 100 -4.435 4.728 1.941 1.00 0.00 C ATOM 1532 O ARG A 100 -4.822 5.857 2.230 1.00 0.00 O ATOM 1533 CB ARG A 100 -5.234 3.614 -0.108 1.00 0.00 C ATOM 1534 CG ARG A 100 -4.962 3.008 -1.496 1.00 0.00 C ATOM 1535 CD ARG A 100 -6.001 3.450 -2.518 1.00 0.00 C ATOM 1536 NE ARG A 100 -5.382 4.264 -3.553 1.00 0.00 N ATOM 1537 CZ ARG A 100 -5.437 5.599 -3.646 1.00 0.00 C ATOM 1538 NH1 ARG A 100 -6.156 6.339 -2.808 1.00 0.00 N ATOM 1539 NH2 ARG A 100 -4.783 6.202 -4.630 1.00 0.00 N ATOM 0 H ARG A 100 -2.901 2.773 0.051 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.973 5.363 -0.067 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.477 2.805 0.581 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.116 4.250 -0.176 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -3.969 3.305 -1.835 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.962 1.920 -1.424 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.473 2.576 -2.968 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.789 4.018 -2.023 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.857 3.772 -4.276 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.690 5.892 -2.063 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.173 7.354 -2.910 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -4.249 5.650 -5.301 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -4.814 7.218 -4.716 1.00 0.00 H new ATOM 1553 N ASP A 101 -4.306 3.736 2.825 1.00 0.00 N ATOM 1554 CA ASP A 101 -4.680 3.872 4.232 1.00 0.00 C ATOM 1555 C ASP A 101 -3.742 4.848 4.918 1.00 0.00 C ATOM 1556 O ASP A 101 -4.196 5.732 5.629 1.00 0.00 O ATOM 1557 CB ASP A 101 -4.681 2.533 4.990 1.00 0.00 C ATOM 1558 CG ASP A 101 -6.053 2.281 5.619 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -6.907 1.704 4.906 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -6.291 2.650 6.791 1.00 0.00 O ATOM 0 H ASP A 101 -3.939 2.815 2.584 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.703 4.247 4.253 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.431 1.721 4.308 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.915 2.545 5.765 1.00 0.00 H new ATOM 1565 N MET A 102 -2.439 4.730 4.653 1.00 0.00 N ATOM 1566 CA MET A 102 -1.404 5.643 5.100 1.00 0.00 C ATOM 1567 C MET A 102 -1.761 7.085 4.729 1.00 0.00 C ATOM 1568 O MET A 102 -1.511 7.996 5.513 1.00 0.00 O ATOM 1569 CB MET A 102 -0.078 5.249 4.435 1.00 0.00 C ATOM 1570 CG MET A 102 0.449 3.823 4.689 1.00 0.00 C ATOM 1571 SD MET A 102 1.639 3.361 3.417 1.00 0.00 S ATOM 1572 CE MET A 102 3.088 3.255 4.450 1.00 0.00 C ATOM 0 H MET A 102 -2.068 3.960 4.096 1.00 0.00 H new ATOM 0 HA MET A 102 -1.313 5.582 6.184 1.00 0.00 H new ATOM 0 HB2 MET A 102 -0.190 5.380 3.359 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.686 5.954 4.764 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.918 3.771 5.672 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.381 3.117 4.694 1.00 0.00 H new ATOM 0 HE1 MET A 102 3.958 3.028 3.834 1.00 0.00 H new ATOM 0 HE2 MET A 102 3.242 4.206 4.960 1.00 0.00 H new ATOM 0 HE3 MET A 102 2.951 2.465 5.189 1.00 0.00 H new ATOM 1582 N ILE A 103 -2.332 7.300 3.537 1.00 0.00 N ATOM 1583 CA ILE A 103 -2.698 8.614 3.019 1.00 0.00 C ATOM 1584 C ILE A 103 -4.021 9.044 3.649 1.00 0.00 C ATOM 1585 O ILE A 103 -4.158 10.206 4.010 1.00 0.00 O ATOM 1586 CB ILE A 103 -2.692 8.580 1.465 1.00 0.00 C ATOM 1587 CG1 ILE A 103 -1.224 8.522 0.987 1.00 0.00 C ATOM 1588 CG2 ILE A 103 -3.388 9.742 0.726 1.00 0.00 C ATOM 1589 CD1 ILE A 103 -1.083 8.142 -0.487 1.00 0.00 C ATOM 0 H ILE A 103 -2.556 6.541 2.893 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.970 9.377 3.295 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.283 7.700 1.213 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.757 9.493 1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.679 7.800 1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.307 9.589 -0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.440 9.776 1.010 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -2.909 10.683 0.996 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.027 8.120 -0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.521 7.158 -0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.600 8.877 -1.103 1.00 0.00 H new ATOM 1601 N ALA A 104 -4.982 8.136 3.807 1.00 0.00 N ATOM 1602 CA ALA A 104 -6.284 8.396 4.398 1.00 0.00 C ATOM 1603 C ALA A 104 -6.127 8.827 5.851 1.00 0.00 C ATOM 1604 O ALA A 104 -6.644 9.871 6.250 1.00 0.00 O ATOM 1605 CB ALA A 104 -7.143 7.136 4.275 1.00 0.00 C ATOM 0 H ALA A 104 -4.867 7.166 3.515 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.779 9.211 3.870 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.123 7.319 4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.261 6.877 3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.658 6.312 4.799 1.00 0.00 H new ATOM 1611 N GLU A 105 -5.382 8.054 6.636 1.00 0.00 N ATOM 1612 CA GLU A 105 -5.251 8.292 8.062 1.00 0.00 C ATOM 1613 C GLU A 105 -4.491 9.586 8.327 1.00 0.00 C ATOM 1614 O GLU A 105 -4.802 10.295 9.284 1.00 0.00 O ATOM 1615 CB GLU A 105 -4.724 7.057 8.808 1.00 0.00 C ATOM 1616 CG GLU A 105 -3.215 6.814 8.730 1.00 0.00 C ATOM 1617 CD GLU A 105 -2.786 5.682 9.677 1.00 0.00 C ATOM 1618 OE1 GLU A 105 -2.586 5.950 10.888 1.00 0.00 O ATOM 1619 OE2 GLU A 105 -2.608 4.518 9.232 1.00 0.00 O ATOM 0 H GLU A 105 -4.855 7.248 6.299 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.242 8.449 8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.003 7.146 9.858 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.234 6.177 8.416 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.937 6.561 7.707 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.683 7.729 8.988 1.00 0.00 H new ATOM 1626 N ALA A 106 -3.554 9.917 7.438 1.00 0.00 N ATOM 1627 CA ALA A 106 -2.811 11.160 7.428 1.00 0.00 C ATOM 1628 C ALA A 106 -3.599 12.342 6.854 1.00 0.00 C ATOM 1629 O ALA A 106 -3.196 13.483 7.082 1.00 0.00 O ATOM 1630 CB ALA A 106 -1.571 10.930 6.574 1.00 0.00 C ATOM 0 H ALA A 106 -3.287 9.294 6.676 1.00 0.00 H new ATOM 0 HA ALA A 106 -2.574 11.424 8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.979 11.845 6.538 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -0.974 10.128 7.008 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.871 10.653 5.564 1.00 0.00 H new ATOM 1636 N SER A 107 -4.659 12.109 6.078 1.00 0.00 N ATOM 1637 CA SER A 107 -5.450 13.182 5.470 1.00 0.00 C ATOM 1638 C SER A 107 -6.359 13.756 6.549 1.00 0.00 C ATOM 1639 O SER A 107 -6.409 14.975 6.723 1.00 0.00 O ATOM 1640 CB SER A 107 -6.214 12.674 4.231 1.00 0.00 C ATOM 1641 OG SER A 107 -6.657 13.722 3.380 1.00 0.00 O ATOM 0 H SER A 107 -4.994 11.172 5.853 1.00 0.00 H new ATOM 0 HA SER A 107 -4.807 13.979 5.098 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.569 12.002 3.664 1.00 0.00 H new ATOM 0 HB3 SER A 107 -7.075 12.090 4.557 1.00 0.00 H new ATOM 0 HG SER A 107 -6.124 13.723 2.558 1.00 0.00 H new