USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 467 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 25 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 71 THR OG1 : rot -122:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.673 USER MOD Single : A 29 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.27) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.527 F(o=-1.5,f=-0.53) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl -158:sc= -0.0571 (180deg=-0.977) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 183 N LEU A 13 -4.345 -6.816 -1.362 1.00 0.00 N ATOM 184 CA LEU A 13 -3.528 -7.133 -0.191 1.00 0.00 C ATOM 185 C LEU A 13 -2.059 -6.708 -0.350 1.00 0.00 C ATOM 186 O LEU A 13 -1.442 -6.251 0.612 1.00 0.00 O ATOM 187 CB LEU A 13 -3.583 -8.651 0.046 1.00 0.00 C ATOM 188 CG LEU A 13 -4.887 -9.068 0.757 1.00 0.00 C ATOM 189 CD1 LEU A 13 -6.112 -8.413 0.107 1.00 0.00 C ATOM 190 CD2 LEU A 13 -5.035 -10.586 0.643 1.00 0.00 C ATOM 0 HA LEU A 13 -3.935 -6.576 0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.506 -9.172 -0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.726 -8.957 0.647 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.833 -8.748 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.014 -8.728 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.018 -7.329 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.175 -8.717 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.952 -10.900 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.077 -10.870 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.181 -11.071 1.116 1.00 0.00 H new ATOM 202 N ARG A 14 -1.484 -6.911 -1.532 1.00 0.00 N ATOM 203 CA ARG A 14 -0.066 -6.593 -1.739 1.00 0.00 C ATOM 204 C ARG A 14 0.195 -5.096 -1.939 1.00 0.00 C ATOM 205 O ARG A 14 1.258 -4.603 -1.561 1.00 0.00 O ATOM 206 CB ARG A 14 0.470 -7.388 -2.942 1.00 0.00 C ATOM 207 CG ARG A 14 0.777 -8.832 -2.511 1.00 0.00 C ATOM 208 CD ARG A 14 1.167 -9.682 -3.729 1.00 0.00 C ATOM 209 NE ARG A 14 2.028 -10.783 -3.312 1.00 0.00 N ATOM 210 CZ ARG A 14 1.537 -11.836 -2.667 1.00 0.00 C ATOM 211 NH1 ARG A 14 0.259 -11.909 -2.415 1.00 0.00 N ATOM 212 NH2 ARG A 14 2.333 -12.799 -2.292 1.00 0.00 N ATOM 0 H ARG A 14 -1.963 -7.287 -2.350 1.00 0.00 H new ATOM 0 HA ARG A 14 0.461 -6.880 -0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.264 -7.387 -3.748 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.371 -6.915 -3.331 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.587 -8.836 -1.782 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.095 -9.265 -2.021 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.271 -10.072 -4.212 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.683 -9.064 -4.464 1.00 0.00 H new ATOM 0 HE ARG A 14 3.026 -10.744 -3.519 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.363 -11.158 -2.713 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.118 -12.717 -1.920 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.331 -12.743 -2.494 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.957 -13.608 -1.797 1.00 0.00 H new ATOM 226 N ILE A 15 -0.743 -4.374 -2.537 1.00 0.00 N ATOM 227 CA ILE A 15 -0.537 -2.950 -2.767 1.00 0.00 C ATOM 228 C ILE A 15 -0.472 -2.169 -1.457 1.00 0.00 C ATOM 229 O ILE A 15 -0.019 -1.025 -1.436 1.00 0.00 O ATOM 230 CB ILE A 15 -1.660 -2.411 -3.647 1.00 0.00 C ATOM 231 CG1 ILE A 15 -1.569 -3.081 -5.029 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.521 -0.893 -3.797 1.00 0.00 C ATOM 233 CD1 ILE A 15 -2.907 -2.960 -5.755 1.00 0.00 C ATOM 0 H ILE A 15 -1.636 -4.741 -2.866 1.00 0.00 H new ATOM 0 HA ILE A 15 0.421 -2.821 -3.271 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.625 -2.631 -3.191 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.782 -2.612 -5.619 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.300 -4.131 -4.917 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.326 -0.514 -4.427 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.577 -0.424 -2.815 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.561 -0.659 -4.256 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.835 -3.437 -6.733 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.685 -3.450 -5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.158 -1.907 -5.882 1.00 0.00 H new ATOM 245 N ALA A 16 -0.927 -2.780 -0.363 1.00 0.00 N ATOM 246 CA ALA A 16 -0.911 -2.113 0.936 1.00 0.00 C ATOM 247 C ALA A 16 0.329 -2.483 1.730 1.00 0.00 C ATOM 248 O ALA A 16 0.697 -1.787 2.674 1.00 0.00 O ATOM 249 CB ALA A 16 -2.170 -2.463 1.723 1.00 0.00 C ATOM 0 H ALA A 16 -1.307 -3.726 -0.351 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.888 -1.037 0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.146 -1.960 2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.049 -2.138 1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.215 -3.541 1.876 1.00 0.00 H new ATOM 255 N LEU A 17 0.990 -3.558 1.338 1.00 0.00 N ATOM 256 CA LEU A 17 2.206 -3.962 2.026 1.00 0.00 C ATOM 257 C LEU A 17 3.314 -2.989 1.639 1.00 0.00 C ATOM 258 O LEU A 17 4.223 -2.714 2.422 1.00 0.00 O ATOM 259 CB LEU A 17 2.590 -5.410 1.646 1.00 0.00 C ATOM 260 CG LEU A 17 2.044 -6.429 2.673 1.00 0.00 C ATOM 261 CD1 LEU A 17 2.944 -6.462 3.920 1.00 0.00 C ATOM 262 CD2 LEU A 17 0.597 -6.078 3.082 1.00 0.00 C ATOM 0 H LEU A 17 0.713 -4.158 0.561 1.00 0.00 H new ATOM 0 HA LEU A 17 2.052 -3.939 3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.198 -5.644 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.675 -5.496 1.588 1.00 0.00 H new ATOM 0 HG LEU A 17 2.043 -7.413 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.549 -7.183 4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.954 -6.753 3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.968 -5.473 4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.236 -6.809 3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.576 -5.084 3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.044 -6.092 2.200 1.00 0.00 H new ATOM 274 N ALA A 18 3.212 -2.462 0.423 1.00 0.00 N ATOM 275 CA ALA A 18 4.189 -1.508 -0.073 1.00 0.00 C ATOM 276 C ALA A 18 4.306 -0.332 0.887 1.00 0.00 C ATOM 277 O ALA A 18 5.403 0.138 1.173 1.00 0.00 O ATOM 278 CB ALA A 18 3.770 -1.019 -1.462 1.00 0.00 C ATOM 0 H ALA A 18 2.463 -2.681 -0.234 1.00 0.00 H new ATOM 0 HA ALA A 18 5.162 -1.995 -0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.504 -0.303 -1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.713 -1.867 -2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.794 -0.538 -1.399 1.00 0.00 H new ATOM 284 N ALA A 19 3.164 0.139 1.383 1.00 0.00 N ATOM 285 CA ALA A 19 3.161 1.263 2.321 1.00 0.00 C ATOM 286 C ALA A 19 4.305 1.114 3.327 1.00 0.00 C ATOM 287 O ALA A 19 4.929 2.099 3.720 1.00 0.00 O ATOM 288 CB ALA A 19 1.820 1.345 3.053 1.00 0.00 C ATOM 0 H ALA A 19 2.241 -0.232 1.157 1.00 0.00 H new ATOM 0 HA ALA A 19 3.305 2.185 1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.835 2.186 3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.018 1.486 2.328 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.651 0.421 3.606 1.00 0.00 H new ATOM 294 N ARG A 20 4.586 -0.128 3.723 1.00 0.00 N ATOM 295 CA ARG A 20 5.672 -0.383 4.663 1.00 0.00 C ATOM 296 C ARG A 20 6.999 0.024 4.032 1.00 0.00 C ATOM 297 O ARG A 20 7.861 0.606 4.691 1.00 0.00 O ATOM 298 CB ARG A 20 5.709 -1.867 5.037 1.00 0.00 C ATOM 299 CG ARG A 20 4.406 -2.246 5.745 1.00 0.00 C ATOM 300 CD ARG A 20 4.562 -3.616 6.408 1.00 0.00 C ATOM 301 NE ARG A 20 5.639 -3.583 7.391 1.00 0.00 N ATOM 302 CZ ARG A 20 6.014 -4.681 8.039 1.00 0.00 C ATOM 303 NH1 ARG A 20 5.420 -5.818 7.799 1.00 0.00 N ATOM 304 NH2 ARG A 20 6.980 -4.622 8.916 1.00 0.00 N ATOM 0 H ARG A 20 4.084 -0.960 3.412 1.00 0.00 H new ATOM 0 HA ARG A 20 5.505 0.203 5.567 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.840 -2.476 4.142 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.561 -2.068 5.687 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.155 -1.495 6.494 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.584 -2.269 5.029 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.628 -3.902 6.891 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.774 -4.372 5.652 1.00 0.00 H new ATOM 0 HE ARG A 20 6.113 -2.701 7.585 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.667 -5.865 7.113 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.709 -6.660 8.297 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.446 -3.734 9.103 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.269 -5.464 9.414 1.00 0.00 H new ATOM 318 N ALA A 21 7.147 -0.279 2.745 1.00 0.00 N ATOM 319 CA ALA A 21 8.360 0.062 2.013 1.00 0.00 C ATOM 320 C ALA A 21 8.599 1.559 2.052 1.00 0.00 C ATOM 321 O ALA A 21 9.608 2.051 1.548 1.00 0.00 O ATOM 322 CB ALA A 21 8.216 -0.356 0.554 1.00 0.00 C ATOM 0 H ALA A 21 6.441 -0.760 2.189 1.00 0.00 H new ATOM 0 HA ALA A 21 9.196 -0.459 2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.125 -0.099 0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.052 -1.432 0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.368 0.164 0.109 1.00 0.00 H new ATOM 328 N LEU A 22 7.655 2.281 2.641 1.00 0.00 N ATOM 329 CA LEU A 22 7.743 3.734 2.740 1.00 0.00 C ATOM 330 C LEU A 22 7.665 4.149 4.220 1.00 0.00 C ATOM 331 O LEU A 22 6.639 3.924 4.861 1.00 0.00 O ATOM 332 CB LEU A 22 6.572 4.373 1.976 1.00 0.00 C ATOM 333 CG LEU A 22 6.287 3.616 0.666 1.00 0.00 C ATOM 334 CD1 LEU A 22 4.998 4.165 0.038 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.464 3.786 -0.312 1.00 0.00 C ATOM 0 H LEU A 22 6.815 1.883 3.060 1.00 0.00 H new ATOM 0 HA LEU A 22 8.687 4.070 2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.680 4.371 2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.803 5.415 1.755 1.00 0.00 H new ATOM 0 HG LEU A 22 6.165 2.554 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.790 3.633 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.168 4.025 0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.120 5.228 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.251 3.246 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.603 4.844 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.373 3.388 0.140 1.00 0.00 H new ATOM 347 N PRO A 23 8.699 4.731 4.788 1.00 0.00 N ATOM 348 CA PRO A 23 8.680 5.143 6.221 1.00 0.00 C ATOM 349 C PRO A 23 7.986 6.488 6.432 1.00 0.00 C ATOM 350 O PRO A 23 8.610 7.457 6.865 1.00 0.00 O ATOM 351 CB PRO A 23 10.166 5.222 6.568 1.00 0.00 C ATOM 352 CG PRO A 23 10.816 5.677 5.302 1.00 0.00 C ATOM 353 CD PRO A 23 9.992 5.067 4.156 1.00 0.00 C ATOM 0 HA PRO A 23 8.120 4.451 6.850 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.348 5.923 7.383 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.552 4.254 6.888 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.826 6.765 5.238 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.853 5.345 5.256 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.864 5.773 3.336 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.476 4.182 3.742 1.00 0.00 H new ATOM 361 N GLY A 24 6.688 6.540 6.133 1.00 0.00 N ATOM 362 CA GLY A 24 5.926 7.774 6.305 1.00 0.00 C ATOM 363 C GLY A 24 4.703 7.810 5.392 1.00 0.00 C ATOM 364 O GLY A 24 3.596 8.114 5.835 1.00 0.00 O ATOM 0 H GLY A 24 6.149 5.752 5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.608 7.865 7.344 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.566 8.630 6.092 1.00 0.00 H new ATOM 368 N THR A 25 4.911 7.511 4.114 1.00 0.00 N ATOM 369 CA THR A 25 3.816 7.526 3.147 1.00 0.00 C ATOM 370 C THR A 25 2.825 6.400 3.418 1.00 0.00 C ATOM 371 O THR A 25 3.214 5.252 3.632 1.00 0.00 O ATOM 372 CB THR A 25 4.366 7.375 1.731 1.00 0.00 C ATOM 373 OG1 THR A 25 5.400 8.327 1.519 1.00 0.00 O ATOM 374 CG2 THR A 25 3.247 7.598 0.717 1.00 0.00 C ATOM 0 H THR A 25 5.819 7.257 3.725 1.00 0.00 H new ATOM 0 HA THR A 25 3.299 8.480 3.246 1.00 0.00 H new ATOM 0 HB THR A 25 4.768 6.370 1.606 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.754 8.229 0.610 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.644 7.489 -0.292 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.458 6.863 0.878 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.839 8.601 0.840 1.00 0.00 H new ATOM 382 N THR A 26 1.539 6.742 3.402 1.00 0.00 N ATOM 383 CA THR A 26 0.483 5.770 3.637 1.00 0.00 C ATOM 384 C THR A 26 0.128 5.055 2.330 1.00 0.00 C ATOM 385 O THR A 26 0.602 5.426 1.257 1.00 0.00 O ATOM 386 CB THR A 26 -0.750 6.504 4.217 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.402 7.856 4.467 1.00 0.00 O ATOM 388 CG2 THR A 26 -1.187 5.862 5.533 1.00 0.00 C ATOM 0 H THR A 26 1.206 7.690 3.228 1.00 0.00 H new ATOM 0 HA THR A 26 0.820 5.017 4.350 1.00 0.00 H new ATOM 0 HB THR A 26 -1.568 6.440 3.500 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.177 8.331 4.833 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.055 6.392 5.926 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.447 4.818 5.360 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.371 5.918 6.254 1.00 0.00 H new ATOM 396 N VAL A 27 -0.697 4.021 2.439 1.00 0.00 N ATOM 397 CA VAL A 27 -1.098 3.245 1.270 1.00 0.00 C ATOM 398 C VAL A 27 -1.833 4.109 0.254 1.00 0.00 C ATOM 399 O VAL A 27 -1.415 4.228 -0.898 1.00 0.00 O ATOM 400 CB VAL A 27 -2.031 2.100 1.677 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.272 1.195 0.466 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.417 1.271 2.814 1.00 0.00 C ATOM 0 H VAL A 27 -1.100 3.701 3.320 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.185 2.852 0.823 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.972 2.524 2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.935 0.378 0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.731 1.774 -0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.322 0.788 0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.098 0.464 3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.468 0.849 2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.249 1.910 3.681 1.00 0.00 H new ATOM 412 N GLY A 28 -2.951 4.678 0.682 1.00 0.00 N ATOM 413 CA GLY A 28 -3.771 5.495 -0.201 1.00 0.00 C ATOM 414 C GLY A 28 -3.141 6.851 -0.497 1.00 0.00 C ATOM 415 O GLY A 28 -3.791 7.713 -1.090 1.00 0.00 O ATOM 0 H GLY A 28 -3.310 4.589 1.633 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.933 4.961 -1.138 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.750 5.645 0.254 1.00 0.00 H new ATOM 419 N GLN A 29 -1.881 7.057 -0.099 1.00 0.00 N ATOM 420 CA GLN A 29 -1.222 8.341 -0.360 1.00 0.00 C ATOM 421 C GLN A 29 -0.317 8.235 -1.579 1.00 0.00 C ATOM 422 O GLN A 29 0.059 9.246 -2.173 1.00 0.00 O ATOM 423 CB GLN A 29 -0.393 8.779 0.856 1.00 0.00 C ATOM 424 CG GLN A 29 -1.317 9.271 1.976 1.00 0.00 C ATOM 425 CD GLN A 29 -2.045 10.544 1.552 1.00 0.00 C ATOM 426 OE1 GLN A 29 -3.275 10.574 1.517 1.00 0.00 O ATOM 427 NE2 GLN A 29 -1.355 11.602 1.227 1.00 0.00 N ATOM 0 H GLN A 29 -1.309 6.370 0.393 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.995 9.085 -0.551 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.211 7.945 1.213 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.297 9.572 0.569 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.042 8.496 2.223 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.735 9.462 2.878 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.336 11.575 1.257 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.835 12.456 0.943 1.00 0.00 H new ATOM 436 N LEU A 30 0.037 7.008 -1.945 1.00 0.00 N ATOM 437 CA LEU A 30 0.914 6.780 -3.091 1.00 0.00 C ATOM 438 C LEU A 30 0.103 6.539 -4.364 1.00 0.00 C ATOM 439 O LEU A 30 0.620 6.683 -5.472 1.00 0.00 O ATOM 440 CB LEU A 30 1.814 5.577 -2.792 1.00 0.00 C ATOM 441 CG LEU A 30 2.673 5.220 -4.012 1.00 0.00 C ATOM 442 CD1 LEU A 30 3.503 6.438 -4.440 1.00 0.00 C ATOM 443 CD2 LEU A 30 3.612 4.066 -3.638 1.00 0.00 C ATOM 0 H LEU A 30 -0.267 6.159 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 30 1.526 7.667 -3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.458 5.802 -1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.202 4.721 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 30 2.028 4.922 -4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.111 6.178 -5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.836 7.260 -4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.153 6.742 -3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.227 3.804 -4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.254 4.373 -2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.022 3.200 -3.337 1.00 0.00 H new ATOM 455 N LEU A 31 -1.168 6.171 -4.207 1.00 0.00 N ATOM 456 CA LEU A 31 -2.033 5.912 -5.361 1.00 0.00 C ATOM 457 C LEU A 31 -2.847 7.154 -5.720 1.00 0.00 C ATOM 458 O LEU A 31 -3.002 7.489 -6.895 1.00 0.00 O ATOM 459 CB LEU A 31 -2.989 4.756 -5.046 1.00 0.00 C ATOM 460 CG LEU A 31 -2.220 3.609 -4.381 1.00 0.00 C ATOM 461 CD1 LEU A 31 -3.195 2.478 -4.044 1.00 0.00 C ATOM 462 CD2 LEU A 31 -1.141 3.087 -5.339 1.00 0.00 C ATOM 0 H LEU A 31 -1.620 6.046 -3.301 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.400 5.649 -6.208 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.786 5.101 -4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.463 4.404 -5.963 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.746 3.969 -3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.653 1.659 -3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.960 2.849 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.667 2.120 -4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.596 2.272 -4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.611 2.725 -6.253 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.449 3.893 -5.582 1.00 0.00 H new ATOM 715 N LEU A 47 -2.037 0.983 -12.985 1.00 0.00 N ATOM 716 CA LEU A 47 -1.023 1.611 -12.140 1.00 0.00 C ATOM 717 C LEU A 47 0.333 1.608 -12.846 1.00 0.00 C ATOM 718 O LEU A 47 1.134 2.527 -12.679 1.00 0.00 O ATOM 719 CB LEU A 47 -0.909 0.854 -10.805 1.00 0.00 C ATOM 720 CG LEU A 47 -2.012 1.307 -9.844 1.00 0.00 C ATOM 721 CD1 LEU A 47 -3.384 1.014 -10.458 1.00 0.00 C ATOM 722 CD2 LEU A 47 -1.868 0.550 -8.520 1.00 0.00 C ATOM 0 HA LEU A 47 -1.321 2.642 -11.948 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.987 -0.219 -10.979 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.069 1.034 -10.359 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.923 2.378 -9.665 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.166 1.338 -9.772 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.483 1.552 -11.401 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.480 -0.056 -10.639 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.651 0.869 -7.832 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.958 -0.521 -8.702 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.892 0.763 -8.083 1.00 0.00 H new ATOM 734 N GLN A 48 0.583 0.563 -13.629 1.00 0.00 N ATOM 735 CA GLN A 48 1.846 0.441 -14.350 1.00 0.00 C ATOM 736 C GLN A 48 1.872 1.370 -15.558 1.00 0.00 C ATOM 737 O GLN A 48 1.756 0.926 -16.701 1.00 0.00 O ATOM 738 CB GLN A 48 2.048 -1.003 -14.809 1.00 0.00 C ATOM 739 CG GLN A 48 2.141 -1.916 -13.584 1.00 0.00 C ATOM 740 CD GLN A 48 2.274 -3.371 -14.024 1.00 0.00 C ATOM 741 OE1 GLN A 48 3.354 -4.039 -13.725 1.00 0.00 O flip ATOM 742 NE2 GLN A 48 1.368 -3.913 -14.657 1.00 0.00 N flip ATOM 0 H GLN A 48 -0.068 -0.208 -13.780 1.00 0.00 H new ATOM 0 HA GLN A 48 2.653 0.725 -13.675 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.220 -1.313 -15.446 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.956 -1.083 -15.406 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.998 -1.633 -12.974 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.254 -1.795 -12.963 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.524 -3.389 -14.890 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.461 -4.886 -14.949 1.00 0.00 H new ATOM 751 N GLY A 49 2.028 2.660 -15.293 1.00 0.00 N ATOM 752 CA GLY A 49 2.074 3.656 -16.359 1.00 0.00 C ATOM 753 C GLY A 49 2.785 4.917 -15.885 1.00 0.00 C ATOM 754 O GLY A 49 2.697 5.967 -16.520 1.00 0.00 O ATOM 0 H GLY A 49 2.125 3.042 -14.352 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.591 3.245 -17.226 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.061 3.901 -16.679 1.00 0.00 H new ATOM 758 N VAL A 50 3.487 4.806 -14.755 1.00 0.00 N ATOM 759 CA VAL A 50 4.215 5.942 -14.181 1.00 0.00 C ATOM 760 C VAL A 50 5.688 5.571 -13.978 1.00 0.00 C ATOM 761 O VAL A 50 6.076 4.418 -14.166 1.00 0.00 O ATOM 762 CB VAL A 50 3.535 6.346 -12.836 1.00 0.00 C ATOM 763 CG1 VAL A 50 4.345 5.870 -11.615 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.374 7.871 -12.756 1.00 0.00 C ATOM 0 H VAL A 50 3.567 3.942 -14.219 1.00 0.00 H new ATOM 0 HA VAL A 50 4.183 6.795 -14.859 1.00 0.00 H new ATOM 0 HB VAL A 50 2.559 5.861 -12.816 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.836 6.172 -10.700 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.434 4.784 -11.639 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.339 6.316 -11.641 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.898 8.138 -11.812 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.354 8.344 -12.814 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.755 8.215 -13.584 1.00 0.00 H new ATOM 774 N SER A 51 6.496 6.551 -13.573 1.00 0.00 N ATOM 775 CA SER A 51 7.921 6.323 -13.319 1.00 0.00 C ATOM 776 C SER A 51 8.191 6.549 -11.840 1.00 0.00 C ATOM 777 O SER A 51 7.413 7.219 -11.174 1.00 0.00 O ATOM 778 CB SER A 51 8.768 7.287 -14.155 1.00 0.00 C ATOM 779 OG SER A 51 8.816 6.824 -15.497 1.00 0.00 O ATOM 0 H SER A 51 6.189 7.511 -13.413 1.00 0.00 H new ATOM 0 HA SER A 51 8.185 5.303 -13.596 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.342 8.290 -14.119 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.776 7.354 -13.745 1.00 0.00 H new ATOM 0 HG SER A 51 9.356 7.439 -16.036 1.00 0.00 H new ATOM 785 N VAL A 52 9.299 6.013 -11.335 1.00 0.00 N ATOM 786 CA VAL A 52 9.643 6.188 -9.924 1.00 0.00 C ATOM 787 C VAL A 52 9.640 7.676 -9.551 1.00 0.00 C ATOM 788 O VAL A 52 9.244 8.048 -8.446 1.00 0.00 O ATOM 789 CB VAL A 52 11.025 5.547 -9.636 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.755 6.290 -8.503 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.829 4.082 -9.226 1.00 0.00 C ATOM 0 H VAL A 52 9.967 5.461 -11.872 1.00 0.00 H new ATOM 0 HA VAL A 52 8.894 5.688 -9.311 1.00 0.00 H new ATOM 0 HB VAL A 52 11.628 5.612 -10.541 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.721 5.819 -8.322 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.907 7.331 -8.789 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.155 6.247 -7.594 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.799 3.628 -9.023 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.211 4.035 -8.329 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.337 3.541 -10.034 1.00 0.00 H new ATOM 801 N THR A 53 10.108 8.512 -10.468 1.00 0.00 N ATOM 802 CA THR A 53 10.182 9.951 -10.220 1.00 0.00 C ATOM 803 C THR A 53 8.802 10.559 -9.955 1.00 0.00 C ATOM 804 O THR A 53 8.701 11.591 -9.309 1.00 0.00 O ATOM 805 CB THR A 53 10.832 10.647 -11.426 1.00 0.00 C ATOM 806 OG1 THR A 53 12.234 10.415 -11.401 1.00 0.00 O ATOM 807 CG2 THR A 53 10.564 12.158 -11.377 1.00 0.00 C ATOM 0 H THR A 53 10.442 8.223 -11.388 1.00 0.00 H new ATOM 0 HA THR A 53 10.787 10.104 -9.326 1.00 0.00 H new ATOM 0 HB THR A 53 10.404 10.242 -12.343 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.652 10.856 -12.170 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.030 12.638 -12.237 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.489 12.338 -11.399 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.982 12.572 -10.460 1.00 0.00 H new ATOM 815 N ASP A 54 7.752 9.938 -10.456 1.00 0.00 N ATOM 816 CA ASP A 54 6.410 10.472 -10.254 1.00 0.00 C ATOM 817 C ASP A 54 5.942 10.224 -8.822 1.00 0.00 C ATOM 818 O ASP A 54 5.132 10.977 -8.280 1.00 0.00 O ATOM 819 CB ASP A 54 5.432 9.832 -11.236 1.00 0.00 C ATOM 820 CG ASP A 54 4.068 10.505 -11.120 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.559 10.583 -10.014 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.550 10.930 -12.140 1.00 0.00 O ATOM 0 H ASP A 54 7.795 9.076 -10.999 1.00 0.00 H new ATOM 0 HA ASP A 54 6.441 11.547 -10.431 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.810 9.928 -12.254 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.340 8.766 -11.029 1.00 0.00 H new ATOM 827 N LEU A 55 6.417 9.136 -8.237 1.00 0.00 N ATOM 828 CA LEU A 55 6.013 8.752 -6.887 1.00 0.00 C ATOM 829 C LEU A 55 6.498 9.736 -5.823 1.00 0.00 C ATOM 830 O LEU A 55 5.688 10.393 -5.174 1.00 0.00 O ATOM 831 CB LEU A 55 6.554 7.356 -6.555 1.00 0.00 C ATOM 832 CG LEU A 55 5.852 6.293 -7.423 1.00 0.00 C ATOM 833 CD1 LEU A 55 6.167 6.532 -8.901 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.346 4.900 -7.007 1.00 0.00 C ATOM 0 H LEU A 55 7.084 8.500 -8.674 1.00 0.00 H new ATOM 0 HA LEU A 55 4.923 8.756 -6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.630 7.324 -6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.394 7.138 -5.499 1.00 0.00 H new ATOM 0 HG LEU A 55 4.774 6.360 -7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.667 5.776 -9.506 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.815 7.522 -9.193 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.244 6.469 -9.058 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.854 4.142 -7.617 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.425 4.838 -7.152 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.111 4.729 -5.956 1.00 0.00 H new ATOM 846 N LYS A 56 7.813 9.819 -5.621 1.00 0.00 N ATOM 847 CA LYS A 56 8.359 10.710 -4.590 1.00 0.00 C ATOM 848 C LYS A 56 7.821 12.136 -4.707 1.00 0.00 C ATOM 849 O LYS A 56 7.619 12.813 -3.699 1.00 0.00 O ATOM 850 CB LYS A 56 9.891 10.744 -4.673 1.00 0.00 C ATOM 851 CG LYS A 56 10.442 11.773 -3.681 1.00 0.00 C ATOM 852 CD LYS A 56 11.917 11.478 -3.378 1.00 0.00 C ATOM 853 CE LYS A 56 12.691 11.311 -4.686 1.00 0.00 C ATOM 854 NZ LYS A 56 14.150 11.443 -4.419 1.00 0.00 N ATOM 0 H LYS A 56 8.511 9.292 -6.145 1.00 0.00 H new ATOM 0 HA LYS A 56 8.042 10.308 -3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.298 9.758 -4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.204 10.998 -5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.341 12.777 -4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.861 11.748 -2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.347 12.290 -2.792 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.000 10.572 -2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.477 10.337 -5.126 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.373 12.063 -5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.677 11.330 -5.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.346 12.382 -4.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.447 10.709 -3.744 1.00 0.00 H new ATOM 868 N ILE A 57 7.592 12.587 -5.928 1.00 0.00 N ATOM 869 CA ILE A 57 7.083 13.938 -6.152 1.00 0.00 C ATOM 870 C ILE A 57 5.567 13.949 -5.964 1.00 0.00 C ATOM 871 O ILE A 57 4.953 15.003 -5.803 1.00 0.00 O ATOM 872 CB ILE A 57 7.472 14.419 -7.563 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.612 13.711 -8.617 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.951 14.087 -7.799 1.00 0.00 C ATOM 875 CD1 ILE A 57 7.053 14.103 -10.034 1.00 0.00 C ATOM 0 H ILE A 57 7.748 12.045 -6.778 1.00 0.00 H new ATOM 0 HA ILE A 57 7.526 14.623 -5.429 1.00 0.00 H new ATOM 0 HB ILE A 57 7.308 15.494 -7.644 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.692 12.631 -8.492 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.564 13.972 -8.472 1.00 0.00 H new ATOM 0 HG21 ILE A 57 9.244 14.421 -8.794 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.561 14.594 -7.052 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.099 13.010 -7.719 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.429 13.589 -10.765 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.949 15.180 -10.162 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.095 13.819 -10.183 1.00 0.00 H new ATOM 887 N GLY A 58 4.975 12.756 -6.005 1.00 0.00 N ATOM 888 CA GLY A 58 3.531 12.611 -5.855 1.00 0.00 C ATOM 889 C GLY A 58 3.073 12.933 -4.434 1.00 0.00 C ATOM 890 O GLY A 58 2.046 13.582 -4.243 1.00 0.00 O ATOM 0 H GLY A 58 5.475 11.877 -6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.024 13.272 -6.559 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.240 11.592 -6.109 1.00 0.00 H new ATOM 894 N LEU A 59 3.833 12.480 -3.438 1.00 0.00 N ATOM 895 CA LEU A 59 3.470 12.744 -2.049 1.00 0.00 C ATOM 896 C LEU A 59 3.777 14.193 -1.703 1.00 0.00 C ATOM 897 O LEU A 59 2.907 14.918 -1.220 1.00 0.00 O ATOM 898 CB LEU A 59 4.229 11.816 -1.087 1.00 0.00 C ATOM 899 CG LEU A 59 3.969 10.329 -1.414 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.460 10.061 -1.520 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.659 9.931 -2.733 1.00 0.00 C ATOM 0 H LEU A 59 4.688 11.938 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 59 2.402 12.554 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.298 12.022 -1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.923 12.023 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 59 4.384 9.728 -0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.293 9.009 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.980 10.306 -0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.036 10.678 -2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.463 8.880 -2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.269 10.543 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.734 10.088 -2.643 1.00 0.00 H new ATOM 913 N ALA A 60 5.006 14.621 -1.967 1.00 0.00 N ATOM 914 CA ALA A 60 5.384 15.997 -1.690 1.00 0.00 C ATOM 915 C ALA A 60 4.679 16.921 -2.673 1.00 0.00 C ATOM 916 O ALA A 60 4.239 18.012 -2.309 1.00 0.00 O ATOM 917 CB ALA A 60 6.900 16.169 -1.812 1.00 0.00 C ATOM 0 H ALA A 60 5.746 14.044 -2.366 1.00 0.00 H new ATOM 0 HA ALA A 60 5.087 16.249 -0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.167 17.205 -1.602 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.399 15.514 -1.098 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.215 15.911 -2.823 1.00 0.00 H new ATOM 923 N GLY A 61 4.562 16.465 -3.923 1.00 0.00 N ATOM 924 CA GLY A 61 3.889 17.251 -4.965 1.00 0.00 C ATOM 925 C GLY A 61 4.849 17.630 -6.089 1.00 0.00 C ATOM 926 O GLY A 61 4.553 17.409 -7.264 1.00 0.00 O ATOM 0 H GLY A 61 4.921 15.564 -4.238 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.057 16.678 -5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.468 18.155 -4.525 1.00 0.00 H new ATOM 930 N SER A 62 5.996 18.213 -5.730 1.00 0.00 N ATOM 931 CA SER A 62 6.984 18.629 -6.731 1.00 0.00 C ATOM 932 C SER A 62 8.393 18.237 -6.307 1.00 0.00 C ATOM 933 O SER A 62 8.750 18.322 -5.132 1.00 0.00 O ATOM 934 CB SER A 62 6.918 20.144 -6.929 1.00 0.00 C ATOM 935 OG SER A 62 7.062 20.789 -5.671 1.00 0.00 O ATOM 0 H SER A 62 6.262 18.406 -4.765 1.00 0.00 H new ATOM 0 HA SER A 62 6.749 18.123 -7.667 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.706 20.468 -7.609 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.968 20.421 -7.386 1.00 0.00 H new ATOM 0 HG SER A 62 7.022 21.760 -5.795 1.00 0.00 H new ATOM 941 N GLU A 63 9.188 17.807 -7.282 1.00 0.00 N ATOM 942 CA GLU A 63 10.560 17.396 -7.026 1.00 0.00 C ATOM 943 C GLU A 63 11.367 18.522 -6.388 1.00 0.00 C ATOM 944 O GLU A 63 12.559 18.366 -6.124 1.00 0.00 O ATOM 945 CB GLU A 63 11.233 16.977 -8.334 1.00 0.00 C ATOM 946 CG GLU A 63 11.103 18.105 -9.359 1.00 0.00 C ATOM 947 CD GLU A 63 11.699 17.667 -10.692 1.00 0.00 C ATOM 948 OE1 GLU A 63 12.639 16.890 -10.672 1.00 0.00 O ATOM 949 OE2 GLU A 63 11.207 18.117 -11.714 1.00 0.00 O ATOM 0 H GLU A 63 8.902 17.735 -8.259 1.00 0.00 H new ATOM 0 HA GLU A 63 10.531 16.554 -6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.285 16.751 -8.158 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.771 16.067 -8.718 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.054 18.370 -9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.615 18.997 -8.998 1.00 0.00 H new ATOM 956 N GLU A 64 10.721 19.654 -6.148 1.00 0.00 N ATOM 957 CA GLU A 64 11.406 20.788 -5.548 1.00 0.00 C ATOM 958 C GLU A 64 11.623 20.580 -4.050 1.00 0.00 C ATOM 959 O GLU A 64 12.741 20.722 -3.555 1.00 0.00 O ATOM 960 CB GLU A 64 10.593 22.064 -5.773 1.00 0.00 C ATOM 961 CG GLU A 64 10.612 22.428 -7.259 1.00 0.00 C ATOM 962 CD GLU A 64 11.985 22.968 -7.649 1.00 0.00 C ATOM 963 OE1 GLU A 64 12.736 23.324 -6.756 1.00 0.00 O ATOM 964 OE2 GLU A 64 12.263 23.019 -8.836 1.00 0.00 O ATOM 0 H GLU A 64 9.735 19.811 -6.357 1.00 0.00 H new ATOM 0 HA GLU A 64 12.382 20.881 -6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.566 21.917 -5.437 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.008 22.881 -5.183 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.374 21.550 -7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.846 23.175 -7.468 1.00 0.00 H new ATOM 971 N ASP A 65 10.543 20.289 -3.320 1.00 0.00 N ATOM 972 CA ASP A 65 10.623 20.119 -1.866 1.00 0.00 C ATOM 973 C ASP A 65 10.830 18.662 -1.434 1.00 0.00 C ATOM 974 O ASP A 65 11.068 18.404 -0.254 1.00 0.00 O ATOM 975 CB ASP A 65 9.329 20.649 -1.234 1.00 0.00 C ATOM 976 CG ASP A 65 9.334 22.175 -1.230 1.00 0.00 C ATOM 977 OD1 ASP A 65 8.941 22.751 -2.231 1.00 0.00 O ATOM 978 OD2 ASP A 65 9.729 22.743 -0.226 1.00 0.00 O ATOM 0 H ASP A 65 9.608 20.167 -3.709 1.00 0.00 H new ATOM 0 HA ASP A 65 11.495 20.677 -1.525 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.467 20.282 -1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.233 20.275 -0.215 1.00 0.00 H new ATOM 983 N VAL A 66 10.733 17.708 -2.354 1.00 0.00 N ATOM 984 CA VAL A 66 10.914 16.312 -1.960 1.00 0.00 C ATOM 985 C VAL A 66 12.196 16.147 -1.150 1.00 0.00 C ATOM 986 O VAL A 66 12.327 15.209 -0.364 1.00 0.00 O ATOM 987 CB VAL A 66 10.965 15.380 -3.170 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.598 15.325 -3.851 1.00 0.00 C ATOM 989 CG2 VAL A 66 11.996 15.874 -4.175 1.00 0.00 C ATOM 0 H VAL A 66 10.537 17.864 -3.343 1.00 0.00 H new ATOM 0 HA VAL A 66 10.052 16.040 -1.351 1.00 0.00 H new ATOM 0 HB VAL A 66 11.242 14.385 -2.822 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.647 14.658 -4.712 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.855 14.953 -3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.316 16.324 -4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.021 15.200 -5.031 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.727 16.876 -4.509 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.979 15.900 -3.705 1.00 0.00 H new ATOM 999 N ASP A 67 13.137 17.063 -1.346 1.00 0.00 N ATOM 1000 CA ASP A 67 14.405 17.007 -0.626 1.00 0.00 C ATOM 1001 C ASP A 67 14.166 16.967 0.881 1.00 0.00 C ATOM 1002 O ASP A 67 15.067 16.641 1.653 1.00 0.00 O ATOM 1003 CB ASP A 67 15.260 18.226 -0.975 1.00 0.00 C ATOM 1004 CG ASP A 67 15.735 18.136 -2.421 1.00 0.00 C ATOM 1005 OD1 ASP A 67 14.908 18.284 -3.307 1.00 0.00 O ATOM 1006 OD2 ASP A 67 16.919 17.921 -2.623 1.00 0.00 O ATOM 0 H ASP A 67 13.048 17.848 -1.992 1.00 0.00 H new ATOM 0 HA ASP A 67 14.929 16.099 -0.924 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.682 19.139 -0.830 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.118 18.282 -0.305 1.00 0.00 H new ATOM 1011 N MET A 68 12.944 17.303 1.293 1.00 0.00 N ATOM 1012 CA MET A 68 12.587 17.304 2.713 1.00 0.00 C ATOM 1013 C MET A 68 11.837 16.028 3.079 1.00 0.00 C ATOM 1014 O MET A 68 11.984 15.506 4.183 1.00 0.00 O ATOM 1015 CB MET A 68 11.708 18.517 3.027 1.00 0.00 C ATOM 1016 CG MET A 68 12.435 19.796 2.606 1.00 0.00 C ATOM 1017 SD MET A 68 11.300 21.201 2.722 1.00 0.00 S ATOM 1018 CE MET A 68 11.669 21.650 4.436 1.00 0.00 C ATOM 0 H MET A 68 12.187 17.577 0.667 1.00 0.00 H new ATOM 0 HA MET A 68 13.505 17.354 3.299 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.757 18.436 2.501 1.00 0.00 H new ATOM 0 HB3 MET A 68 11.481 18.549 4.093 1.00 0.00 H new ATOM 0 HG2 MET A 68 13.302 19.961 3.245 1.00 0.00 H new ATOM 0 HG3 MET A 68 12.806 19.697 1.586 1.00 0.00 H new ATOM 0 HE1 MET A 68 11.067 22.512 4.724 1.00 0.00 H new ATOM 0 HE2 MET A 68 11.436 20.810 5.090 1.00 0.00 H new ATOM 0 HE3 MET A 68 12.726 21.899 4.527 1.00 0.00 H new ATOM 1028 N LEU A 69 11.032 15.531 2.145 1.00 0.00 N ATOM 1029 CA LEU A 69 10.263 14.315 2.381 1.00 0.00 C ATOM 1030 C LEU A 69 11.177 13.203 2.893 1.00 0.00 C ATOM 1031 O LEU A 69 12.178 12.869 2.260 1.00 0.00 O ATOM 1032 CB LEU A 69 9.574 13.874 1.082 1.00 0.00 C ATOM 1033 CG LEU A 69 8.413 12.910 1.389 1.00 0.00 C ATOM 1034 CD1 LEU A 69 7.277 13.641 2.140 1.00 0.00 C ATOM 1035 CD2 LEU A 69 7.874 12.340 0.067 1.00 0.00 C ATOM 0 H LEU A 69 10.896 15.948 1.224 1.00 0.00 H new ATOM 0 HA LEU A 69 9.504 14.518 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.198 14.747 0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.296 13.386 0.427 1.00 0.00 H new ATOM 0 HG LEU A 69 8.780 12.104 2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.468 12.941 2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.660 14.040 3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.901 14.459 1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.051 11.656 0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.518 13.155 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.670 11.804 -0.450 1.00 0.00 H new ATOM 1047 N ASP A 70 10.828 12.643 4.047 1.00 0.00 N ATOM 1048 CA ASP A 70 11.628 11.578 4.646 1.00 0.00 C ATOM 1049 C ASP A 70 11.696 10.356 3.736 1.00 0.00 C ATOM 1050 O ASP A 70 12.626 9.559 3.834 1.00 0.00 O ATOM 1051 CB ASP A 70 11.028 11.175 5.994 1.00 0.00 C ATOM 1052 CG ASP A 70 12.029 10.333 6.779 1.00 0.00 C ATOM 1053 OD1 ASP A 70 12.991 10.898 7.270 1.00 0.00 O ATOM 1054 OD2 ASP A 70 11.817 9.135 6.875 1.00 0.00 O ATOM 0 H ASP A 70 10.002 12.906 4.584 1.00 0.00 H new ATOM 0 HA ASP A 70 12.640 11.957 4.788 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.763 12.065 6.564 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.109 10.611 5.838 1.00 0.00 H new ATOM 1059 N THR A 71 10.717 10.222 2.846 1.00 0.00 N ATOM 1060 CA THR A 71 10.688 9.091 1.919 1.00 0.00 C ATOM 1061 C THR A 71 12.047 8.933 1.225 1.00 0.00 C ATOM 1062 O THR A 71 12.388 9.747 0.366 1.00 0.00 O ATOM 1063 CB THR A 71 9.616 9.328 0.853 1.00 0.00 C ATOM 1064 OG1 THR A 71 8.363 9.555 1.483 1.00 0.00 O ATOM 1065 CG2 THR A 71 9.521 8.102 -0.059 1.00 0.00 C ATOM 0 H THR A 71 9.940 10.875 2.746 1.00 0.00 H new ATOM 0 HA THR A 71 10.463 8.186 2.484 1.00 0.00 H new ATOM 0 HB THR A 71 9.883 10.200 0.256 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.713 8.894 1.166 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.757 8.271 -0.818 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.483 7.933 -0.543 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.255 7.227 0.534 1.00 0.00 H new ATOM 1073 N PRO A 72 12.837 7.927 1.553 1.00 0.00 N ATOM 1074 CA PRO A 72 14.166 7.741 0.898 1.00 0.00 C ATOM 1075 C PRO A 72 14.051 7.727 -0.625 1.00 0.00 C ATOM 1076 O PRO A 72 12.990 8.006 -1.186 1.00 0.00 O ATOM 1077 CB PRO A 72 14.661 6.382 1.425 1.00 0.00 C ATOM 1078 CG PRO A 72 13.931 6.173 2.712 1.00 0.00 C ATOM 1079 CD PRO A 72 12.577 6.870 2.555 1.00 0.00 C ATOM 0 HA PRO A 72 14.851 8.557 1.128 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.446 5.583 0.716 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.740 6.389 1.581 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.800 5.110 2.917 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.490 6.592 3.549 1.00 0.00 H new ATOM 0 HD2 PRO A 72 11.808 6.177 2.215 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.232 7.291 3.500 1.00 0.00 H new ATOM 1087 N MET A 73 15.153 7.385 -1.284 1.00 0.00 N ATOM 1088 CA MET A 73 15.188 7.313 -2.742 1.00 0.00 C ATOM 1089 C MET A 73 15.008 5.871 -3.189 1.00 0.00 C ATOM 1090 O MET A 73 14.611 5.599 -4.322 1.00 0.00 O ATOM 1091 CB MET A 73 16.536 7.828 -3.249 1.00 0.00 C ATOM 1092 CG MET A 73 17.648 6.852 -2.854 1.00 0.00 C ATOM 1093 SD MET A 73 19.247 7.698 -2.917 1.00 0.00 S ATOM 1094 CE MET A 73 19.165 8.209 -4.652 1.00 0.00 C ATOM 0 H MET A 73 16.037 7.153 -0.831 1.00 0.00 H new ATOM 0 HA MET A 73 14.383 7.926 -3.148 1.00 0.00 H new ATOM 0 HB2 MET A 73 16.508 7.942 -4.333 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.739 8.814 -2.830 1.00 0.00 H new ATOM 0 HG2 MET A 73 17.468 6.467 -1.850 1.00 0.00 H new ATOM 0 HG3 MET A 73 17.651 5.996 -3.529 1.00 0.00 H new ATOM 0 HE1 MET A 73 20.172 8.397 -5.024 1.00 0.00 H new ATOM 0 HE2 MET A 73 18.702 7.418 -5.243 1.00 0.00 H new ATOM 0 HE3 MET A 73 18.571 9.119 -4.736 1.00 0.00 H new ATOM 1104 N SER A 74 15.311 4.952 -2.279 1.00 0.00 N ATOM 1105 CA SER A 74 15.195 3.526 -2.559 1.00 0.00 C ATOM 1106 C SER A 74 13.798 3.029 -2.216 1.00 0.00 C ATOM 1107 O SER A 74 13.329 2.037 -2.775 1.00 0.00 O ATOM 1108 CB SER A 74 16.224 2.751 -1.737 1.00 0.00 C ATOM 1109 OG SER A 74 15.940 1.360 -1.817 1.00 0.00 O ATOM 0 H SER A 74 15.640 5.170 -1.338 1.00 0.00 H new ATOM 0 HA SER A 74 15.378 3.365 -3.621 1.00 0.00 H new ATOM 0 HB2 SER A 74 17.229 2.951 -2.110 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.198 3.080 -0.698 1.00 0.00 H new ATOM 0 HG SER A 74 16.600 0.861 -1.292 1.00 0.00 H new ATOM 1115 N ALA A 75 13.134 3.723 -1.297 1.00 0.00 N ATOM 1116 CA ALA A 75 11.792 3.338 -0.898 1.00 0.00 C ATOM 1117 C ALA A 75 10.862 3.337 -2.104 1.00 0.00 C ATOM 1118 O ALA A 75 9.939 2.529 -2.189 1.00 0.00 O ATOM 1119 CB ALA A 75 11.275 4.300 0.163 1.00 0.00 C ATOM 0 H ALA A 75 13.502 4.547 -0.821 1.00 0.00 H new ATOM 0 HA ALA A 75 11.821 2.331 -0.482 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.268 4.007 0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.932 4.270 1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.255 5.312 -0.242 1.00 0.00 H new ATOM 1125 N LEU A 76 11.105 4.244 -3.041 1.00 0.00 N ATOM 1126 CA LEU A 76 10.269 4.301 -4.232 1.00 0.00 C ATOM 1127 C LEU A 76 10.498 3.048 -5.059 1.00 0.00 C ATOM 1128 O LEU A 76 9.558 2.344 -5.426 1.00 0.00 O ATOM 1129 CB LEU A 76 10.599 5.514 -5.115 1.00 0.00 C ATOM 1130 CG LEU A 76 10.518 6.863 -4.353 1.00 0.00 C ATOM 1131 CD1 LEU A 76 9.458 6.832 -3.246 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.880 7.233 -3.741 1.00 0.00 C ATOM 0 H LEU A 76 11.855 4.934 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 76 9.234 4.383 -3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.602 5.395 -5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.910 5.539 -5.960 1.00 0.00 H new ATOM 0 HG LEU A 76 10.232 7.618 -5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.434 7.796 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.481 6.629 -3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.704 6.049 -2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.796 8.183 -3.213 1.00 0.00 H new ATOM 0 HD22 LEU A 76 12.188 6.455 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.623 7.324 -4.534 1.00 0.00 H new ATOM 1144 N LYS A 77 11.765 2.788 -5.351 1.00 0.00 N ATOM 1145 CA LYS A 77 12.137 1.629 -6.144 1.00 0.00 C ATOM 1146 C LYS A 77 11.798 0.342 -5.399 1.00 0.00 C ATOM 1147 O LYS A 77 11.841 -0.746 -5.973 1.00 0.00 O ATOM 1148 CB LYS A 77 13.636 1.696 -6.484 1.00 0.00 C ATOM 1149 CG LYS A 77 14.063 3.175 -6.648 1.00 0.00 C ATOM 1150 CD LYS A 77 15.198 3.303 -7.680 1.00 0.00 C ATOM 1151 CE LYS A 77 16.026 4.563 -7.394 1.00 0.00 C ATOM 1152 NZ LYS A 77 16.859 4.888 -8.586 1.00 0.00 N ATOM 0 H LYS A 77 12.551 3.365 -5.050 1.00 0.00 H new ATOM 0 HA LYS A 77 11.569 1.632 -7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.220 1.223 -5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 77 13.836 1.145 -7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.208 3.772 -6.965 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.392 3.572 -5.688 1.00 0.00 H new ATOM 0 HD2 LYS A 77 15.837 2.421 -7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.782 3.351 -8.686 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.367 5.399 -7.158 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.663 4.403 -6.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 17.421 5.742 -8.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 17.497 4.092 -8.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 16.241 5.057 -9.406 1.00 0.00 H new ATOM 1166 N ASP A 78 11.425 0.477 -4.128 1.00 0.00 N ATOM 1167 CA ASP A 78 11.037 -0.675 -3.326 1.00 0.00 C ATOM 1168 C ASP A 78 9.547 -0.931 -3.522 1.00 0.00 C ATOM 1169 O ASP A 78 9.128 -2.045 -3.840 1.00 0.00 O ATOM 1170 CB ASP A 78 11.332 -0.409 -1.846 1.00 0.00 C ATOM 1171 CG ASP A 78 12.837 -0.421 -1.602 1.00 0.00 C ATOM 1172 OD1 ASP A 78 13.573 -0.574 -2.564 1.00 0.00 O ATOM 1173 OD2 ASP A 78 13.234 -0.276 -0.458 1.00 0.00 O ATOM 0 H ASP A 78 11.384 1.369 -3.636 1.00 0.00 H new ATOM 0 HA ASP A 78 11.606 -1.550 -3.641 1.00 0.00 H new ATOM 0 HB2 ASP A 78 10.916 0.554 -1.551 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.850 -1.167 -1.229 1.00 0.00 H new ATOM 1178 N ALA A 79 8.756 0.121 -3.326 1.00 0.00 N ATOM 1179 CA ALA A 79 7.309 0.036 -3.474 1.00 0.00 C ATOM 1180 C ALA A 79 6.903 -0.141 -4.936 1.00 0.00 C ATOM 1181 O ALA A 79 6.214 -1.103 -5.278 1.00 0.00 O ATOM 1182 CB ALA A 79 6.664 1.307 -2.924 1.00 0.00 C ATOM 0 H ALA A 79 9.097 1.046 -3.063 1.00 0.00 H new ATOM 0 HA ALA A 79 6.966 -0.835 -2.916 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.582 1.243 -3.035 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.915 1.415 -1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.035 2.171 -3.475 1.00 0.00 H new ATOM 1188 N VAL A 80 7.312 0.809 -5.789 1.00 0.00 N ATOM 1189 CA VAL A 80 6.971 0.772 -7.219 1.00 0.00 C ATOM 1190 C VAL A 80 6.930 -0.667 -7.734 1.00 0.00 C ATOM 1191 O VAL A 80 6.214 -0.986 -8.681 1.00 0.00 O ATOM 1192 CB VAL A 80 7.985 1.601 -8.019 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.228 0.768 -8.349 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.352 2.086 -9.328 1.00 0.00 C ATOM 0 H VAL A 80 7.879 1.611 -5.514 1.00 0.00 H new ATOM 0 HA VAL A 80 5.978 1.203 -7.350 1.00 0.00 H new ATOM 0 HB VAL A 80 8.277 2.455 -7.409 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.933 1.376 -8.916 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.699 0.434 -7.424 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.938 -0.099 -8.942 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.080 2.673 -9.888 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.044 1.227 -9.923 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.482 2.704 -9.105 1.00 0.00 H new ATOM 1204 N ARG A 81 7.717 -1.515 -7.088 1.00 0.00 N ATOM 1205 CA ARG A 81 7.799 -2.922 -7.456 1.00 0.00 C ATOM 1206 C ARG A 81 6.546 -3.673 -7.011 1.00 0.00 C ATOM 1207 O ARG A 81 5.818 -4.237 -7.829 1.00 0.00 O ATOM 1208 CB ARG A 81 9.026 -3.553 -6.797 1.00 0.00 C ATOM 1209 CG ARG A 81 9.270 -4.942 -7.393 1.00 0.00 C ATOM 1210 CD ARG A 81 10.385 -5.656 -6.621 1.00 0.00 C ATOM 1211 NE ARG A 81 11.694 -5.149 -7.030 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.265 -4.112 -6.418 1.00 0.00 C ATOM 1213 NH1 ARG A 81 11.651 -3.512 -5.435 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.442 -3.697 -6.801 1.00 0.00 N ATOM 0 H ARG A 81 8.311 -1.252 -6.302 1.00 0.00 H new ATOM 0 HA ARG A 81 7.882 -2.990 -8.541 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.900 -2.921 -6.952 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.874 -3.629 -5.720 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.353 -5.531 -7.352 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.544 -4.853 -8.444 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.248 -5.506 -5.550 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.331 -6.730 -6.802 1.00 0.00 H new ATOM 0 HE ARG A 81 12.182 -5.600 -7.803 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.732 -3.837 -5.134 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.090 -2.718 -4.968 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.924 -4.166 -7.568 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.880 -2.903 -6.333 1.00 0.00 H new ATOM 1228 N ILE A 82 6.327 -3.697 -5.702 1.00 0.00 N ATOM 1229 CA ILE A 82 5.192 -4.402 -5.117 1.00 0.00 C ATOM 1230 C ILE A 82 3.873 -4.136 -5.863 1.00 0.00 C ATOM 1231 O ILE A 82 3.088 -5.065 -6.050 1.00 0.00 O ATOM 1232 CB ILE A 82 5.069 -4.035 -3.627 1.00 0.00 C ATOM 1233 CG1 ILE A 82 6.170 -4.752 -2.835 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.701 -4.462 -3.082 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.239 -4.180 -1.419 1.00 0.00 C ATOM 0 H ILE A 82 6.926 -3.232 -5.020 1.00 0.00 H new ATOM 0 HA ILE A 82 5.382 -5.471 -5.215 1.00 0.00 H new ATOM 0 HB ILE A 82 5.173 -2.955 -3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.966 -5.822 -2.796 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.131 -4.629 -3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.630 -4.195 -2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.913 -3.954 -3.638 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.586 -5.540 -3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.022 -4.691 -0.858 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.464 -3.115 -1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.281 -4.326 -0.920 1.00 0.00 H new ATOM 1247 N LEU A 83 3.614 -2.899 -6.305 1.00 0.00 N ATOM 1248 CA LEU A 83 2.358 -2.643 -7.034 1.00 0.00 C ATOM 1249 C LEU A 83 2.521 -3.063 -8.490 1.00 0.00 C ATOM 1250 O LEU A 83 1.551 -3.439 -9.147 1.00 0.00 O ATOM 1251 CB LEU A 83 1.861 -1.159 -6.968 1.00 0.00 C ATOM 1252 CG LEU A 83 2.610 -0.318 -5.921 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.781 -1.069 -4.585 1.00 0.00 C ATOM 1254 CD2 LEU A 83 3.949 0.110 -6.488 1.00 0.00 C ATOM 0 H LEU A 83 4.224 -2.091 -6.181 1.00 0.00 H new ATOM 0 HA LEU A 83 1.593 -3.237 -6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.981 -0.698 -7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.795 -1.149 -6.739 1.00 0.00 H new ATOM 0 HG LEU A 83 2.013 0.567 -5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.315 -0.435 -3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.800 -1.319 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.348 -1.985 -4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.483 0.707 -5.749 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.538 -0.773 -6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.790 0.705 -7.388 1.00 0.00 H new ATOM 1266 N TRP A 84 3.748 -3.000 -8.995 1.00 0.00 N ATOM 1267 CA TRP A 84 4.000 -3.388 -10.382 1.00 0.00 C ATOM 1268 C TRP A 84 3.717 -4.881 -10.562 1.00 0.00 C ATOM 1269 O TRP A 84 3.921 -5.434 -11.642 1.00 0.00 O ATOM 1270 CB TRP A 84 5.468 -3.077 -10.752 1.00 0.00 C ATOM 1271 CG TRP A 84 5.584 -1.785 -11.514 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.490 -1.558 -12.491 1.00 0.00 C ATOM 1273 CD2 TRP A 84 4.802 -0.556 -11.387 1.00 0.00 C ATOM 1274 NE1 TRP A 84 6.320 -0.273 -12.973 1.00 0.00 N ATOM 1275 CE2 TRP A 84 5.293 0.384 -12.326 1.00 0.00 C ATOM 1276 CE3 TRP A 84 3.729 -0.161 -10.562 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 4.741 1.661 -12.444 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 3.172 1.121 -10.680 1.00 0.00 C ATOM 1279 CH2 TRP A 84 3.676 2.029 -11.617 1.00 0.00 C ATOM 0 H TRP A 84 4.571 -2.690 -8.478 1.00 0.00 H new ATOM 0 HA TRP A 84 3.341 -2.822 -11.040 1.00 0.00 H new ATOM 0 HB2 TRP A 84 6.069 -3.020 -9.844 1.00 0.00 H new ATOM 0 HB3 TRP A 84 5.873 -3.892 -11.352 1.00 0.00 H new ATOM 0 HD1 TRP A 84 7.228 -2.266 -12.839 1.00 0.00 H new ATOM 0 HE1 TRP A 84 6.885 0.139 -13.716 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.332 -0.852 -9.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 5.134 2.359 -13.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 2.349 1.409 -10.043 1.00 0.00 H new ATOM 0 HH2 TRP A 84 3.242 3.014 -11.701 1.00 0.00 H new ATOM 1290 N GLY A 85 3.255 -5.524 -9.497 1.00 0.00 N ATOM 1291 CA GLY A 85 2.961 -6.949 -9.554 1.00 0.00 C ATOM 1292 C GLY A 85 4.240 -7.748 -9.764 1.00 0.00 C ATOM 1293 O GLY A 85 4.206 -8.885 -10.235 1.00 0.00 O ATOM 0 H GLY A 85 3.077 -5.087 -8.593 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.476 -7.264 -8.630 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.262 -7.150 -10.366 1.00 0.00 H new ATOM 1297 N GLU A 86 5.373 -7.143 -9.408 1.00 0.00 N ATOM 1298 CA GLU A 86 6.677 -7.793 -9.551 1.00 0.00 C ATOM 1299 C GLU A 86 7.214 -8.198 -8.185 1.00 0.00 C ATOM 1300 O GLU A 86 8.321 -8.722 -8.071 1.00 0.00 O ATOM 1301 CB GLU A 86 7.667 -6.833 -10.214 1.00 0.00 C ATOM 1302 CG GLU A 86 7.220 -6.543 -11.648 1.00 0.00 C ATOM 1303 CD GLU A 86 7.510 -7.747 -12.538 1.00 0.00 C ATOM 1304 OE1 GLU A 86 8.516 -8.398 -12.311 1.00 0.00 O ATOM 1305 OE2 GLU A 86 6.721 -8.001 -13.432 1.00 0.00 O ATOM 0 H GLU A 86 5.415 -6.202 -9.018 1.00 0.00 H new ATOM 0 HA GLU A 86 6.557 -8.682 -10.171 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.725 -5.905 -9.646 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.666 -7.269 -10.215 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.154 -6.315 -11.666 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.741 -5.665 -12.029 1.00 0.00 H new ATOM 1312 N ALA A 87 6.420 -7.946 -7.149 1.00 0.00 N ATOM 1313 CA ALA A 87 6.818 -8.280 -5.785 1.00 0.00 C ATOM 1314 C ALA A 87 7.534 -9.634 -5.739 1.00 0.00 C ATOM 1315 O ALA A 87 8.736 -9.704 -5.479 1.00 0.00 O ATOM 1316 CB ALA A 87 5.574 -8.301 -4.879 1.00 0.00 C ATOM 0 H ALA A 87 5.500 -7.513 -7.227 1.00 0.00 H new ATOM 0 HA ALA A 87 7.514 -7.522 -5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.870 -8.550 -3.860 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.100 -7.320 -4.889 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.870 -9.048 -5.245 1.00 0.00 H new ATOM 1322 N GLU A 88 6.784 -10.704 -5.987 1.00 0.00 N ATOM 1323 CA GLU A 88 7.354 -12.048 -5.969 1.00 0.00 C ATOM 1324 C GLU A 88 8.615 -12.111 -6.825 1.00 0.00 C ATOM 1325 O GLU A 88 9.557 -12.836 -6.506 1.00 0.00 O ATOM 1326 CB GLU A 88 6.330 -13.055 -6.494 1.00 0.00 C ATOM 1327 CG GLU A 88 6.016 -12.747 -7.958 1.00 0.00 C ATOM 1328 CD GLU A 88 4.816 -13.567 -8.418 1.00 0.00 C ATOM 1329 OE1 GLU A 88 4.892 -14.782 -8.347 1.00 0.00 O ATOM 1330 OE2 GLU A 88 3.838 -12.967 -8.834 1.00 0.00 O ATOM 0 H GLU A 88 5.787 -10.668 -6.201 1.00 0.00 H new ATOM 0 HA GLU A 88 7.616 -12.296 -4.940 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.720 -14.069 -6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.419 -13.007 -5.898 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.808 -11.684 -8.078 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.882 -12.974 -8.580 1.00 0.00 H new