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 26 THR OG1 : rot 176:sc= -3.26! USER MOD Set 1.2: A 29 GLN : amide:sc= -2.05! C(o=-5.3!,f=-11!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= -4.22! C(o=-7.6!,f=-4.2!) 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= -0.172 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -160:sc= -0.569 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.361) USER MOD ----------------------------------------------------------------- ATOM 183 N LEU A 13 -4.225 -6.618 -1.416 1.00 0.00 N ATOM 184 CA LEU A 13 -3.563 -7.186 -0.243 1.00 0.00 C ATOM 185 C LEU A 13 -2.066 -6.865 -0.272 1.00 0.00 C ATOM 186 O LEU A 13 -1.471 -6.555 0.758 1.00 0.00 O ATOM 187 CB LEU A 13 -3.760 -8.717 -0.260 1.00 0.00 C ATOM 188 CG LEU A 13 -5.045 -9.151 0.485 1.00 0.00 C ATOM 189 CD1 LEU A 13 -6.216 -8.184 0.220 1.00 0.00 C ATOM 190 CD2 LEU A 13 -5.437 -10.558 0.003 1.00 0.00 C ATOM 0 HA LEU A 13 -3.995 -6.758 0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.806 -9.064 -1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.896 -9.198 0.199 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.841 -9.143 1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.099 -8.525 0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.946 -7.184 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.432 -8.159 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.342 -10.880 0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.619 -10.537 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.628 -11.255 0.220 1.00 0.00 H new ATOM 202 N ARG A 14 -1.466 -6.976 -1.456 1.00 0.00 N ATOM 203 CA ARG A 14 -0.026 -6.732 -1.618 1.00 0.00 C ATOM 204 C ARG A 14 0.296 -5.261 -1.901 1.00 0.00 C ATOM 205 O ARG A 14 1.341 -4.761 -1.481 1.00 0.00 O ATOM 206 CB ARG A 14 0.510 -7.600 -2.764 1.00 0.00 C ATOM 207 CG ARG A 14 0.586 -9.075 -2.321 1.00 0.00 C ATOM 208 CD ARG A 14 1.918 -9.358 -1.600 1.00 0.00 C ATOM 209 NE ARG A 14 2.934 -9.777 -2.559 1.00 0.00 N ATOM 210 CZ ARG A 14 2.870 -10.961 -3.158 1.00 0.00 C ATOM 211 NH1 ARG A 14 1.867 -11.763 -2.920 1.00 0.00 N ATOM 212 NH2 ARG A 14 3.807 -11.322 -3.990 1.00 0.00 N ATOM 0 H ARG A 14 -1.949 -7.232 -2.317 1.00 0.00 H new ATOM 0 HA ARG A 14 0.456 -6.994 -0.676 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.139 -7.507 -3.635 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.498 -7.251 -3.064 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.248 -9.304 -1.658 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.491 -9.726 -3.190 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.252 -8.464 -1.074 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.775 -10.135 -0.849 1.00 0.00 H new ATOM 0 HE ARG A 14 3.708 -9.149 -2.774 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.131 -11.481 -2.273 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.820 -12.672 -3.381 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.589 -10.695 -4.181 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.758 -12.231 -4.450 1.00 0.00 H new ATOM 226 N ILE A 15 -0.584 -4.576 -2.621 1.00 0.00 N ATOM 227 CA ILE A 15 -0.357 -3.174 -2.958 1.00 0.00 C ATOM 228 C ILE A 15 -0.297 -2.322 -1.685 1.00 0.00 C ATOM 229 O ILE A 15 0.088 -1.153 -1.732 1.00 0.00 O ATOM 230 CB ILE A 15 -1.483 -2.688 -3.913 1.00 0.00 C ATOM 231 CG1 ILE A 15 -1.114 -2.987 -5.379 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.715 -1.174 -3.781 1.00 0.00 C ATOM 233 CD1 ILE A 15 -0.599 -4.425 -5.539 1.00 0.00 C ATOM 0 H ILE A 15 -1.456 -4.964 -2.981 1.00 0.00 H new ATOM 0 HA ILE A 15 0.601 -3.069 -3.467 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.391 -3.222 -3.633 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.987 -2.838 -6.014 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.351 -2.285 -5.715 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.508 -0.867 -4.462 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.004 -0.938 -2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.797 -0.642 -4.030 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.347 -4.607 -6.584 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.288 -4.564 -4.922 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.373 -5.126 -5.225 1.00 0.00 H new ATOM 245 N ALA A 16 -0.681 -2.905 -0.549 1.00 0.00 N ATOM 246 CA ALA A 16 -0.667 -2.176 0.720 1.00 0.00 C ATOM 247 C ALA A 16 0.616 -2.429 1.498 1.00 0.00 C ATOM 248 O ALA A 16 0.957 -1.671 2.403 1.00 0.00 O ATOM 249 CB ALA A 16 -1.880 -2.560 1.563 1.00 0.00 C ATOM 0 H ALA A 16 -1.003 -3.871 -0.481 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.712 -1.111 0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.858 -2.011 2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.793 -2.313 1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.857 -3.630 1.767 1.00 0.00 H new ATOM 255 N LEU A 17 1.342 -3.470 1.127 1.00 0.00 N ATOM 256 CA LEU A 17 2.605 -3.760 1.795 1.00 0.00 C ATOM 257 C LEU A 17 3.603 -2.678 1.409 1.00 0.00 C ATOM 258 O LEU A 17 4.507 -2.340 2.173 1.00 0.00 O ATOM 259 CB LEU A 17 3.134 -5.147 1.382 1.00 0.00 C ATOM 260 CG LEU A 17 2.553 -6.238 2.303 1.00 0.00 C ATOM 261 CD1 LEU A 17 3.146 -6.129 3.725 1.00 0.00 C ATOM 262 CD2 LEU A 17 1.024 -6.093 2.361 1.00 0.00 C ATOM 0 H LEU A 17 1.088 -4.119 0.382 1.00 0.00 H new ATOM 0 HA LEU A 17 2.459 -3.771 2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.863 -5.353 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.223 -5.159 1.435 1.00 0.00 H new ATOM 0 HG LEU A 17 2.815 -7.216 1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.721 -6.909 4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.228 -6.249 3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.907 -5.152 4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.610 -6.863 3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.766 -5.109 2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.610 -6.203 1.359 1.00 0.00 H new ATOM 274 N ALA A 18 3.410 -2.132 0.216 1.00 0.00 N ATOM 275 CA ALA A 18 4.271 -1.077 -0.284 1.00 0.00 C ATOM 276 C ALA A 18 4.320 0.069 0.717 1.00 0.00 C ATOM 277 O ALA A 18 5.392 0.571 1.042 1.00 0.00 O ATOM 278 CB ALA A 18 3.736 -0.587 -1.629 1.00 0.00 C ATOM 0 H ALA A 18 2.663 -2.405 -0.422 1.00 0.00 H new ATOM 0 HA ALA A 18 5.282 -1.461 -0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.380 0.206 -2.009 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.722 -1.415 -2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.724 -0.203 -1.500 1.00 0.00 H new ATOM 284 N ALA A 19 3.151 0.468 1.216 1.00 0.00 N ATOM 285 CA ALA A 19 3.084 1.549 2.200 1.00 0.00 C ATOM 286 C ALA A 19 4.211 1.385 3.217 1.00 0.00 C ATOM 287 O ALA A 19 4.800 2.363 3.678 1.00 0.00 O ATOM 288 CB ALA A 19 1.732 1.536 2.911 1.00 0.00 C ATOM 0 H ALA A 19 2.249 0.066 0.960 1.00 0.00 H new ATOM 0 HA ALA A 19 3.197 2.504 1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.697 2.346 3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.935 1.671 2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.598 0.582 3.421 1.00 0.00 H new ATOM 294 N ARG A 20 4.512 0.130 3.541 1.00 0.00 N ATOM 295 CA ARG A 20 5.579 -0.175 4.482 1.00 0.00 C ATOM 296 C ARG A 20 6.922 0.247 3.893 1.00 0.00 C ATOM 297 O ARG A 20 7.761 0.831 4.578 1.00 0.00 O ATOM 298 CB ARG A 20 5.588 -1.680 4.776 1.00 0.00 C ATOM 299 CG ARG A 20 6.342 -1.957 6.081 1.00 0.00 C ATOM 300 CD ARG A 20 6.245 -3.447 6.419 1.00 0.00 C ATOM 301 NE ARG A 20 6.635 -3.678 7.806 1.00 0.00 N ATOM 302 CZ ARG A 20 6.236 -4.764 8.462 1.00 0.00 C ATOM 303 NH1 ARG A 20 5.482 -5.645 7.866 1.00 0.00 N ATOM 304 NH2 ARG A 20 6.602 -4.948 9.702 1.00 0.00 N ATOM 0 H ARG A 20 4.032 -0.688 3.166 1.00 0.00 H new ATOM 0 HA ARG A 20 5.411 0.371 5.410 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.565 -2.050 4.852 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.060 -2.216 3.953 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.387 -1.663 5.979 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.921 -1.361 6.891 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.226 -3.798 6.257 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.889 -4.021 5.753 1.00 0.00 H new ATOM 0 HE ARG A 20 7.224 -2.994 8.281 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.198 -5.501 6.897 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.176 -6.478 8.369 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.193 -4.259 10.167 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.296 -5.781 10.206 1.00 0.00 H new ATOM 318 N ALA A 21 7.110 -0.054 2.611 1.00 0.00 N ATOM 319 CA ALA A 21 8.344 0.293 1.915 1.00 0.00 C ATOM 320 C ALA A 21 8.585 1.788 1.963 1.00 0.00 C ATOM 321 O ALA A 21 9.630 2.268 1.529 1.00 0.00 O ATOM 322 CB ALA A 21 8.246 -0.117 0.450 1.00 0.00 C ATOM 0 H ALA A 21 6.423 -0.538 2.033 1.00 0.00 H new ATOM 0 HA ALA A 21 9.163 -0.230 2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.171 0.145 -0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.086 -1.193 0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.411 0.404 -0.018 1.00 0.00 H new ATOM 328 N LEU A 22 7.607 2.523 2.477 1.00 0.00 N ATOM 329 CA LEU A 22 7.700 3.976 2.562 1.00 0.00 C ATOM 330 C LEU A 22 7.650 4.413 4.036 1.00 0.00 C ATOM 331 O LEU A 22 6.680 4.103 4.728 1.00 0.00 O ATOM 332 CB LEU A 22 6.514 4.594 1.808 1.00 0.00 C ATOM 333 CG LEU A 22 6.237 3.828 0.503 1.00 0.00 C ATOM 334 CD1 LEU A 22 4.958 4.378 -0.136 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.425 3.979 -0.468 1.00 0.00 C ATOM 0 H LEU A 22 6.737 2.136 2.843 1.00 0.00 H new ATOM 0 HA LEU A 22 8.639 4.311 2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.626 4.577 2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.725 5.640 1.583 1.00 0.00 H new ATOM 0 HG LEU A 22 6.109 2.768 0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.754 3.841 -1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.122 4.247 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.087 5.438 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.215 3.432 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.574 5.034 -0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.327 3.578 -0.005 1.00 0.00 H new ATOM 347 N PRO A 23 8.649 5.107 4.543 1.00 0.00 N ATOM 348 CA PRO A 23 8.655 5.550 5.969 1.00 0.00 C ATOM 349 C PRO A 23 7.795 6.793 6.202 1.00 0.00 C ATOM 350 O PRO A 23 8.319 7.884 6.428 1.00 0.00 O ATOM 351 CB PRO A 23 10.135 5.843 6.230 1.00 0.00 C ATOM 352 CG PRO A 23 10.658 6.318 4.914 1.00 0.00 C ATOM 353 CD PRO A 23 9.873 5.549 3.841 1.00 0.00 C ATOM 0 HA PRO A 23 8.231 4.801 6.638 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.260 6.601 7.004 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.663 4.951 6.569 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.517 7.393 4.804 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.727 6.126 4.827 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.636 6.184 2.987 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.443 4.702 3.460 1.00 0.00 H new ATOM 361 N GLY A 24 6.472 6.622 6.160 1.00 0.00 N ATOM 362 CA GLY A 24 5.552 7.740 6.383 1.00 0.00 C ATOM 363 C GLY A 24 4.360 7.684 5.430 1.00 0.00 C ATOM 364 O GLY A 24 3.208 7.736 5.861 1.00 0.00 O ATOM 0 H GLY A 24 6.016 5.728 5.975 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.197 7.720 7.413 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.083 8.682 6.248 1.00 0.00 H new ATOM 368 N THR A 25 4.644 7.593 4.136 1.00 0.00 N ATOM 369 CA THR A 25 3.587 7.550 3.129 1.00 0.00 C ATOM 370 C THR A 25 2.656 6.363 3.347 1.00 0.00 C ATOM 371 O THR A 25 3.104 5.233 3.541 1.00 0.00 O ATOM 372 CB THR A 25 4.199 7.458 1.733 1.00 0.00 C ATOM 373 OG1 THR A 25 5.247 8.409 1.611 1.00 0.00 O ATOM 374 CG2 THR A 25 3.122 7.738 0.688 1.00 0.00 C ATOM 0 H THR A 25 5.591 7.548 3.760 1.00 0.00 H new ATOM 0 HA THR A 25 3.005 8.467 3.222 1.00 0.00 H new ATOM 0 HB THR A 25 4.603 6.458 1.576 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.641 8.349 0.716 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.557 7.673 -0.309 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.322 7.004 0.784 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.717 8.738 0.842 1.00 0.00 H new ATOM 382 N THR A 26 1.353 6.633 3.304 1.00 0.00 N ATOM 383 CA THR A 26 0.345 5.598 3.487 1.00 0.00 C ATOM 384 C THR A 26 0.029 4.920 2.151 1.00 0.00 C ATOM 385 O THR A 26 0.512 5.336 1.098 1.00 0.00 O ATOM 386 CB THR A 26 -0.931 6.244 4.081 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.679 7.618 4.322 1.00 0.00 O ATOM 388 CG2 THR A 26 -1.308 5.574 5.403 1.00 0.00 C ATOM 0 H THR A 26 0.972 7.565 3.143 1.00 0.00 H new ATOM 0 HA THR A 26 0.721 4.836 4.170 1.00 0.00 H new ATOM 0 HB THR A 26 -1.751 6.120 3.374 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.500 8.051 4.637 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.207 6.042 5.805 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.496 4.514 5.233 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.491 5.688 6.115 1.00 0.00 H new ATOM 396 N VAL A 27 -0.784 3.872 2.213 1.00 0.00 N ATOM 397 CA VAL A 27 -1.165 3.131 1.015 1.00 0.00 C ATOM 398 C VAL A 27 -1.914 4.030 0.042 1.00 0.00 C ATOM 399 O VAL A 27 -1.500 4.204 -1.106 1.00 0.00 O ATOM 400 CB VAL A 27 -2.072 1.946 1.382 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.246 1.039 0.160 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.463 1.132 2.528 1.00 0.00 C ATOM 0 H VAL A 27 -1.192 3.516 3.078 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.251 2.766 0.547 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.039 2.336 1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.889 0.198 0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.700 1.606 -0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.272 0.666 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.121 0.298 2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.489 0.749 2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.345 1.769 3.404 1.00 0.00 H new ATOM 412 N GLY A 28 -3.032 4.572 0.500 1.00 0.00 N ATOM 413 CA GLY A 28 -3.858 5.426 -0.341 1.00 0.00 C ATOM 414 C GLY A 28 -3.217 6.785 -0.602 1.00 0.00 C ATOM 415 O GLY A 28 -3.849 7.658 -1.193 1.00 0.00 O ATOM 0 H GLY A 28 -3.388 4.437 1.446 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.041 4.926 -1.292 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.828 5.571 0.135 1.00 0.00 H new ATOM 419 N GLN A 29 -1.968 6.979 -0.171 1.00 0.00 N ATOM 420 CA GLN A 29 -1.298 8.263 -0.393 1.00 0.00 C ATOM 421 C GLN A 29 -0.412 8.184 -1.631 1.00 0.00 C ATOM 422 O GLN A 29 -0.094 9.204 -2.243 1.00 0.00 O ATOM 423 CB GLN A 29 -0.450 8.638 0.833 1.00 0.00 C ATOM 424 CG GLN A 29 -1.352 9.155 1.964 1.00 0.00 C ATOM 425 CD GLN A 29 -0.510 9.866 3.018 1.00 0.00 C ATOM 426 OE1 GLN A 29 0.652 9.517 3.228 1.00 0.00 O ATOM 427 NE2 GLN A 29 -1.031 10.850 3.699 1.00 0.00 N ATOM 0 H GLN A 29 -1.411 6.282 0.322 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.056 9.031 -0.547 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.112 7.769 1.175 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.278 9.402 0.561 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.099 9.839 1.561 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.893 8.324 2.418 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.994 11.138 3.524 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.475 11.331 4.406 1.00 0.00 H new ATOM 436 N LEU A 30 -0.017 6.967 -1.996 1.00 0.00 N ATOM 437 CA LEU A 30 0.838 6.764 -3.164 1.00 0.00 C ATOM 438 C LEU A 30 -0.003 6.555 -4.424 1.00 0.00 C ATOM 439 O LEU A 30 0.488 6.726 -5.539 1.00 0.00 O ATOM 440 CB LEU A 30 1.749 5.554 -2.908 1.00 0.00 C ATOM 441 CG LEU A 30 2.525 5.160 -4.174 1.00 0.00 C ATOM 442 CD1 LEU A 30 3.386 6.335 -4.644 1.00 0.00 C ATOM 443 CD2 LEU A 30 3.435 3.971 -3.848 1.00 0.00 C ATOM 0 H LEU A 30 -0.273 6.111 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 30 1.450 7.651 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.451 5.788 -2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.149 4.710 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 30 1.822 4.892 -4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.933 6.049 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.746 7.189 -4.866 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.092 6.605 -3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.991 3.683 -4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.134 4.253 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.829 3.130 -3.511 1.00 0.00 H new ATOM 455 N LEU A 31 -1.274 6.184 -4.252 1.00 0.00 N ATOM 456 CA LEU A 31 -2.165 5.957 -5.394 1.00 0.00 C ATOM 457 C LEU A 31 -3.070 7.174 -5.616 1.00 0.00 C ATOM 458 O LEU A 31 -3.189 7.678 -6.733 1.00 0.00 O ATOM 459 CB LEU A 31 -3.036 4.711 -5.131 1.00 0.00 C ATOM 460 CG LEU A 31 -2.266 3.430 -5.484 1.00 0.00 C ATOM 461 CD1 LEU A 31 -1.106 3.237 -4.506 1.00 0.00 C ATOM 462 CD2 LEU A 31 -3.208 2.225 -5.386 1.00 0.00 C ATOM 0 H LEU A 31 -1.707 6.035 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.558 5.800 -6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.336 4.685 -4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.950 4.768 -5.723 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.877 3.515 -6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.563 2.327 -4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.432 4.091 -4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.495 3.155 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.662 1.315 -5.636 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.595 2.148 -4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.037 2.354 -6.082 1.00 0.00 H new ATOM 715 N LEU A 47 -1.916 0.493 -13.367 1.00 0.00 N ATOM 716 CA LEU A 47 -1.072 1.509 -12.734 1.00 0.00 C ATOM 717 C LEU A 47 0.271 1.615 -13.453 1.00 0.00 C ATOM 718 O LEU A 47 0.876 2.686 -13.504 1.00 0.00 O ATOM 719 CB LEU A 47 -0.841 1.157 -11.254 1.00 0.00 C ATOM 720 CG LEU A 47 -2.031 1.623 -10.408 1.00 0.00 C ATOM 721 CD1 LEU A 47 -3.324 1.003 -10.948 1.00 0.00 C ATOM 722 CD2 LEU A 47 -1.818 1.188 -8.957 1.00 0.00 C ATOM 0 HA LEU A 47 -1.583 2.470 -12.800 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.707 0.081 -11.145 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.075 1.630 -10.899 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.110 2.709 -10.456 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.168 1.337 -10.344 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.473 1.314 -11.982 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.253 -0.084 -10.903 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.662 1.517 -8.351 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.740 0.102 -8.911 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.900 1.635 -8.574 1.00 0.00 H new ATOM 734 N GLN A 48 0.731 0.496 -13.995 1.00 0.00 N ATOM 735 CA GLN A 48 2.003 0.462 -14.699 1.00 0.00 C ATOM 736 C GLN A 48 1.962 1.382 -15.912 1.00 0.00 C ATOM 737 O GLN A 48 1.904 0.926 -17.055 1.00 0.00 O ATOM 738 CB GLN A 48 2.309 -0.972 -15.137 1.00 0.00 C ATOM 739 CG GLN A 48 2.800 -1.790 -13.936 1.00 0.00 C ATOM 740 CD GLN A 48 1.693 -1.967 -12.904 1.00 0.00 C ATOM 741 OE1 GLN A 48 1.338 -0.961 -12.153 1.00 0.00 O flip ATOM 742 NE2 GLN A 48 1.151 -3.062 -12.762 1.00 0.00 N flip ATOM 0 H GLN A 48 0.242 -0.399 -13.960 1.00 0.00 H new ATOM 0 HA GLN A 48 2.789 0.809 -14.028 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.415 -1.431 -15.560 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.067 -0.969 -15.920 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.146 -2.767 -14.274 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.653 -1.291 -13.477 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.429 -3.848 -13.349 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.424 -3.184 -12.057 1.00 0.00 H new ATOM 751 N GLY A 49 1.991 2.681 -15.644 1.00 0.00 N ATOM 752 CA GLY A 49 1.958 3.685 -16.703 1.00 0.00 C ATOM 753 C GLY A 49 2.648 4.966 -16.251 1.00 0.00 C ATOM 754 O GLY A 49 2.546 6.003 -16.906 1.00 0.00 O ATOM 0 H GLY A 49 2.037 3.066 -14.701 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.449 3.296 -17.595 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.925 3.899 -16.976 1.00 0.00 H new ATOM 758 N VAL A 50 3.352 4.885 -15.121 1.00 0.00 N ATOM 759 CA VAL A 50 4.069 6.043 -14.571 1.00 0.00 C ATOM 760 C VAL A 50 5.537 5.673 -14.319 1.00 0.00 C ATOM 761 O VAL A 50 5.927 4.518 -14.490 1.00 0.00 O ATOM 762 CB VAL A 50 3.358 6.514 -13.268 1.00 0.00 C ATOM 763 CG1 VAL A 50 3.958 5.844 -12.022 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.469 8.039 -13.123 1.00 0.00 C ATOM 0 H VAL A 50 3.443 4.033 -14.568 1.00 0.00 H new ATOM 0 HA VAL A 50 4.056 6.869 -15.282 1.00 0.00 H new ATOM 0 HB VAL A 50 2.310 6.224 -13.346 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.437 6.197 -11.132 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.848 4.763 -12.102 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.016 6.097 -11.947 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.968 8.355 -12.208 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.520 8.325 -13.078 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.998 8.521 -13.980 1.00 0.00 H new ATOM 774 N SER A 51 6.346 6.653 -13.913 1.00 0.00 N ATOM 775 CA SER A 51 7.767 6.419 -13.637 1.00 0.00 C ATOM 776 C SER A 51 8.026 6.618 -12.153 1.00 0.00 C ATOM 777 O SER A 51 7.220 7.241 -11.475 1.00 0.00 O ATOM 778 CB SER A 51 8.627 7.397 -14.440 1.00 0.00 C ATOM 779 OG SER A 51 8.372 7.220 -15.827 1.00 0.00 O ATOM 0 H SER A 51 6.043 7.616 -13.768 1.00 0.00 H new ATOM 0 HA SER A 51 8.026 5.400 -13.926 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.403 8.422 -14.146 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.683 7.228 -14.229 1.00 0.00 H new ATOM 0 HG SER A 51 8.921 7.847 -16.343 1.00 0.00 H new ATOM 785 N VAL A 52 9.150 6.100 -11.658 1.00 0.00 N ATOM 786 CA VAL A 52 9.485 6.239 -10.240 1.00 0.00 C ATOM 787 C VAL A 52 9.492 7.717 -9.818 1.00 0.00 C ATOM 788 O VAL A 52 9.002 8.064 -8.744 1.00 0.00 O ATOM 789 CB VAL A 52 10.859 5.587 -9.953 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.504 6.202 -8.697 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.672 4.078 -9.733 1.00 0.00 C ATOM 0 H VAL A 52 9.837 5.586 -12.210 1.00 0.00 H new ATOM 0 HA VAL A 52 8.722 5.727 -9.655 1.00 0.00 H new ATOM 0 HB VAL A 52 11.512 5.766 -10.808 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.469 5.729 -8.514 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.648 7.272 -8.848 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.853 6.041 -7.838 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.639 3.617 -9.531 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.007 3.914 -8.885 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.237 3.631 -10.627 1.00 0.00 H new ATOM 801 N THR A 53 10.076 8.572 -10.648 1.00 0.00 N ATOM 802 CA THR A 53 10.168 9.996 -10.328 1.00 0.00 C ATOM 803 C THR A 53 8.792 10.618 -10.084 1.00 0.00 C ATOM 804 O THR A 53 8.688 11.637 -9.417 1.00 0.00 O ATOM 805 CB THR A 53 10.877 10.742 -11.470 1.00 0.00 C ATOM 806 OG1 THR A 53 12.275 10.502 -11.389 1.00 0.00 O ATOM 807 CG2 THR A 53 10.611 12.251 -11.364 1.00 0.00 C ATOM 0 H THR A 53 10.491 8.310 -11.542 1.00 0.00 H new ATOM 0 HA THR A 53 10.743 10.090 -9.407 1.00 0.00 H new ATOM 0 HB THR A 53 10.493 10.381 -12.424 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.731 10.975 -12.117 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.119 12.768 -12.178 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.539 12.437 -11.428 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.987 12.621 -10.410 1.00 0.00 H new ATOM 815 N ASP A 54 7.750 10.027 -10.630 1.00 0.00 N ATOM 816 CA ASP A 54 6.410 10.577 -10.456 1.00 0.00 C ATOM 817 C ASP A 54 5.875 10.283 -9.057 1.00 0.00 C ATOM 818 O ASP A 54 5.072 11.041 -8.513 1.00 0.00 O ATOM 819 CB ASP A 54 5.471 9.982 -11.497 1.00 0.00 C ATOM 820 CG ASP A 54 4.119 10.689 -11.446 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.600 10.850 -10.354 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.625 11.057 -12.498 1.00 0.00 O ATOM 0 H ASP A 54 7.796 9.177 -11.192 1.00 0.00 H new ATOM 0 HA ASP A 54 6.465 11.658 -10.584 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.906 10.083 -12.491 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.340 8.916 -11.313 1.00 0.00 H new ATOM 827 N LEU A 55 6.291 9.156 -8.503 1.00 0.00 N ATOM 828 CA LEU A 55 5.822 8.731 -7.183 1.00 0.00 C ATOM 829 C LEU A 55 6.275 9.676 -6.069 1.00 0.00 C ATOM 830 O LEU A 55 5.449 10.314 -5.421 1.00 0.00 O ATOM 831 CB LEU A 55 6.334 7.319 -6.863 1.00 0.00 C ATOM 832 CG LEU A 55 5.662 6.281 -7.782 1.00 0.00 C ATOM 833 CD1 LEU A 55 6.015 6.571 -9.243 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.157 4.875 -7.403 1.00 0.00 C ATOM 0 H LEU A 55 6.952 8.515 -8.942 1.00 0.00 H new ATOM 0 HA LEU A 55 4.733 8.744 -7.223 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.416 7.280 -6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.127 7.078 -5.820 1.00 0.00 H new ATOM 0 HG LEU A 55 4.580 6.337 -7.660 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.536 5.833 -9.886 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.665 7.568 -9.511 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.096 6.519 -9.373 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.685 4.136 -8.050 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.239 4.825 -7.525 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.899 4.666 -6.365 1.00 0.00 H new ATOM 846 N LYS A 56 7.586 9.736 -5.827 1.00 0.00 N ATOM 847 CA LYS A 56 8.125 10.576 -4.752 1.00 0.00 C ATOM 848 C LYS A 56 7.649 12.024 -4.833 1.00 0.00 C ATOM 849 O LYS A 56 7.439 12.670 -3.806 1.00 0.00 O ATOM 850 CB LYS A 56 9.652 10.557 -4.791 1.00 0.00 C ATOM 851 CG LYS A 56 10.204 11.455 -3.683 1.00 0.00 C ATOM 852 CD LYS A 56 11.672 11.108 -3.398 1.00 0.00 C ATOM 853 CE LYS A 56 12.451 11.020 -4.711 1.00 0.00 C ATOM 854 NZ LYS A 56 13.914 11.047 -4.427 1.00 0.00 N ATOM 0 H LYS A 56 8.289 9.219 -6.354 1.00 0.00 H new ATOM 0 HA LYS A 56 7.756 10.157 -3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.017 9.538 -4.663 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.005 10.902 -5.763 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.121 12.501 -3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.611 11.332 -2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.115 11.866 -2.752 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.733 10.160 -2.864 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.190 10.103 -5.240 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.181 11.852 -5.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.442 10.987 -5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.157 11.933 -3.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.165 10.239 -3.822 1.00 0.00 H new ATOM 868 N ILE A 57 7.482 12.532 -6.042 1.00 0.00 N ATOM 869 CA ILE A 57 7.032 13.908 -6.217 1.00 0.00 C ATOM 870 C ILE A 57 5.524 13.979 -6.035 1.00 0.00 C ATOM 871 O ILE A 57 4.972 15.043 -5.782 1.00 0.00 O ATOM 872 CB ILE A 57 7.446 14.428 -7.602 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.608 13.744 -8.692 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.927 14.105 -7.812 1.00 0.00 C ATOM 875 CD1 ILE A 57 7.077 14.185 -10.085 1.00 0.00 C ATOM 0 H ILE A 57 7.648 12.022 -6.910 1.00 0.00 H new ATOM 0 HA ILE A 57 7.502 14.542 -5.465 1.00 0.00 H new ATOM 0 HB ILE A 57 7.281 15.504 -7.661 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.693 12.661 -8.599 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.555 13.994 -8.560 1.00 0.00 H new ATOM 0 HG21 ILE A 57 9.243 14.466 -8.791 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.519 14.592 -7.037 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.075 13.027 -7.758 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.473 13.691 -10.846 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.968 15.265 -10.180 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.124 13.912 -10.220 1.00 0.00 H new ATOM 887 N GLY A 58 4.869 12.831 -6.170 1.00 0.00 N ATOM 888 CA GLY A 58 3.420 12.760 -6.024 1.00 0.00 C ATOM 889 C GLY A 58 2.982 13.042 -4.587 1.00 0.00 C ATOM 890 O GLY A 58 1.955 13.684 -4.365 1.00 0.00 O ATOM 0 H GLY A 58 5.317 11.939 -6.380 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.951 13.479 -6.695 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.072 11.771 -6.323 1.00 0.00 H new ATOM 894 N LEU A 59 3.755 12.563 -3.614 1.00 0.00 N ATOM 895 CA LEU A 59 3.408 12.784 -2.212 1.00 0.00 C ATOM 896 C LEU A 59 3.734 14.214 -1.807 1.00 0.00 C ATOM 897 O LEU A 59 2.878 14.924 -1.281 1.00 0.00 O ATOM 898 CB LEU A 59 4.166 11.820 -1.288 1.00 0.00 C ATOM 899 CG LEU A 59 3.831 10.346 -1.601 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.311 10.121 -1.607 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.421 9.933 -2.961 1.00 0.00 C ATOM 0 H LEU A 59 4.611 12.029 -3.766 1.00 0.00 H new ATOM 0 HA LEU A 59 2.338 12.602 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.239 11.980 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.914 12.038 -0.250 1.00 0.00 H new ATOM 0 HG LEU A 59 4.275 9.730 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.099 9.075 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.902 10.374 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.852 10.754 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.174 8.891 -3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.003 10.564 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.504 10.051 -2.939 1.00 0.00 H new ATOM 913 N ALA A 60 4.967 14.640 -2.057 1.00 0.00 N ATOM 914 CA ALA A 60 5.363 15.996 -1.711 1.00 0.00 C ATOM 915 C ALA A 60 4.733 16.981 -2.684 1.00 0.00 C ATOM 916 O ALA A 60 4.389 18.101 -2.309 1.00 0.00 O ATOM 917 CB ALA A 60 6.887 16.133 -1.752 1.00 0.00 C ATOM 0 H ALA A 60 5.697 14.075 -2.491 1.00 0.00 H new ATOM 0 HA ALA A 60 5.018 16.214 -0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.168 17.153 -1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.334 15.440 -1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.246 15.903 -2.755 1.00 0.00 H new ATOM 923 N GLY A 61 4.574 16.556 -3.939 1.00 0.00 N ATOM 924 CA GLY A 61 3.969 17.428 -4.947 1.00 0.00 C ATOM 925 C GLY A 61 5.004 18.376 -5.546 1.00 0.00 C ATOM 926 O GLY A 61 4.722 19.075 -6.520 1.00 0.00 O ATOM 0 H GLY A 61 4.849 15.634 -4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.526 16.822 -5.737 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.161 18.004 -4.496 1.00 0.00 H new ATOM 930 N SER A 62 6.200 18.407 -4.954 1.00 0.00 N ATOM 931 CA SER A 62 7.266 19.291 -5.438 1.00 0.00 C ATOM 932 C SER A 62 8.618 18.591 -5.454 1.00 0.00 C ATOM 933 O SER A 62 9.250 18.412 -4.413 1.00 0.00 O ATOM 934 CB SER A 62 7.349 20.536 -4.553 1.00 0.00 C ATOM 935 OG SER A 62 8.631 21.132 -4.699 1.00 0.00 O ATOM 0 H SER A 62 6.455 17.837 -4.147 1.00 0.00 H new ATOM 0 HA SER A 62 7.020 19.574 -6.461 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.571 21.247 -4.832 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.177 20.267 -3.511 1.00 0.00 H new ATOM 0 HG SER A 62 8.687 21.931 -4.134 1.00 0.00 H new ATOM 941 N GLU A 63 9.061 18.213 -6.651 1.00 0.00 N ATOM 942 CA GLU A 63 10.346 17.548 -6.812 1.00 0.00 C ATOM 943 C GLU A 63 11.469 18.399 -6.233 1.00 0.00 C ATOM 944 O GLU A 63 12.631 17.992 -6.234 1.00 0.00 O ATOM 945 CB GLU A 63 10.614 17.271 -8.295 1.00 0.00 C ATOM 946 CG GLU A 63 10.873 18.591 -9.027 1.00 0.00 C ATOM 947 CD GLU A 63 10.815 18.371 -10.535 1.00 0.00 C ATOM 948 OE1 GLU A 63 9.717 18.298 -11.060 1.00 0.00 O ATOM 949 OE2 GLU A 63 11.870 18.279 -11.141 1.00 0.00 O ATOM 0 H GLU A 63 8.548 18.357 -7.521 1.00 0.00 H new ATOM 0 HA GLU A 63 10.313 16.602 -6.271 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.474 16.610 -8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.761 16.759 -8.739 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.131 19.332 -8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.849 18.987 -8.746 1.00 0.00 H new ATOM 956 N GLU A 64 11.117 19.574 -5.719 1.00 0.00 N ATOM 957 CA GLU A 64 12.102 20.462 -5.117 1.00 0.00 C ATOM 958 C GLU A 64 12.216 20.189 -3.620 1.00 0.00 C ATOM 959 O GLU A 64 13.314 20.197 -3.064 1.00 0.00 O ATOM 960 CB GLU A 64 11.696 21.920 -5.336 1.00 0.00 C ATOM 961 CG GLU A 64 11.477 22.171 -6.829 1.00 0.00 C ATOM 962 CD GLU A 64 10.931 23.578 -7.046 1.00 0.00 C ATOM 963 OE1 GLU A 64 9.747 23.773 -6.828 1.00 0.00 O ATOM 964 OE2 GLU A 64 11.705 24.441 -7.426 1.00 0.00 O ATOM 0 H GLU A 64 10.161 19.931 -5.708 1.00 0.00 H new ATOM 0 HA GLU A 64 13.067 20.279 -5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.784 22.142 -4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.471 22.585 -4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.416 22.049 -7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.781 21.436 -7.232 1.00 0.00 H new ATOM 971 N ASP A 65 11.073 19.972 -2.961 1.00 0.00 N ATOM 972 CA ASP A 65 11.057 19.729 -1.517 1.00 0.00 C ATOM 973 C ASP A 65 11.120 18.242 -1.173 1.00 0.00 C ATOM 974 O ASP A 65 11.340 17.887 -0.016 1.00 0.00 O ATOM 975 CB ASP A 65 9.782 20.330 -0.917 1.00 0.00 C ATOM 976 CG ASP A 65 9.889 21.852 -0.876 1.00 0.00 C ATOM 977 OD1 ASP A 65 10.840 22.344 -0.292 1.00 0.00 O ATOM 978 OD2 ASP A 65 9.018 22.502 -1.431 1.00 0.00 O ATOM 0 H ASP A 65 10.153 19.960 -3.402 1.00 0.00 H new ATOM 0 HA ASP A 65 11.945 20.202 -1.097 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.917 20.034 -1.511 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.626 19.941 0.089 1.00 0.00 H new ATOM 983 N VAL A 66 10.915 17.371 -2.152 1.00 0.00 N ATOM 984 CA VAL A 66 10.950 15.937 -1.878 1.00 0.00 C ATOM 985 C VAL A 66 12.173 15.580 -1.037 1.00 0.00 C ATOM 986 O VAL A 66 12.143 14.629 -0.257 1.00 0.00 O ATOM 987 CB VAL A 66 10.964 15.122 -3.177 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.574 15.111 -3.800 1.00 0.00 C ATOM 989 CG2 VAL A 66 11.931 15.728 -4.186 1.00 0.00 C ATOM 0 H VAL A 66 10.727 17.622 -3.123 1.00 0.00 H new ATOM 0 HA VAL A 66 10.046 15.688 -1.322 1.00 0.00 H new ATOM 0 HB VAL A 66 11.279 14.108 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.593 14.530 -4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.866 14.662 -3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.266 16.133 -4.021 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.924 15.133 -5.099 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.625 16.749 -4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.937 15.736 -3.766 1.00 0.00 H new ATOM 999 N ASP A 67 13.244 16.347 -1.198 1.00 0.00 N ATOM 1000 CA ASP A 67 14.462 16.094 -0.441 1.00 0.00 C ATOM 1001 C ASP A 67 14.151 16.025 1.052 1.00 0.00 C ATOM 1002 O ASP A 67 14.815 15.312 1.804 1.00 0.00 O ATOM 1003 CB ASP A 67 15.482 17.204 -0.711 1.00 0.00 C ATOM 1004 CG ASP A 67 15.459 17.583 -2.188 1.00 0.00 C ATOM 1005 OD1 ASP A 67 15.403 16.683 -3.011 1.00 0.00 O ATOM 1006 OD2 ASP A 67 15.499 18.768 -2.477 1.00 0.00 O ATOM 0 H ASP A 67 13.294 17.140 -1.838 1.00 0.00 H new ATOM 0 HA ASP A 67 14.881 15.138 -0.757 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.253 18.077 -0.099 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.480 16.869 -0.428 1.00 0.00 H new ATOM 1011 N MET A 68 13.132 16.774 1.472 1.00 0.00 N ATOM 1012 CA MET A 68 12.730 16.796 2.876 1.00 0.00 C ATOM 1013 C MET A 68 11.798 15.628 3.195 1.00 0.00 C ATOM 1014 O MET A 68 11.790 15.120 4.316 1.00 0.00 O ATOM 1015 CB MET A 68 12.018 18.113 3.193 1.00 0.00 C ATOM 1016 CG MET A 68 12.971 19.286 2.948 1.00 0.00 C ATOM 1017 SD MET A 68 14.177 19.376 4.294 1.00 0.00 S ATOM 1018 CE MET A 68 15.534 20.093 3.333 1.00 0.00 C ATOM 0 H MET A 68 12.573 17.371 0.863 1.00 0.00 H new ATOM 0 HA MET A 68 13.628 16.705 3.488 1.00 0.00 H new ATOM 0 HB2 MET A 68 11.130 18.217 2.569 1.00 0.00 H new ATOM 0 HB3 MET A 68 11.682 18.115 4.230 1.00 0.00 H new ATOM 0 HG2 MET A 68 13.483 19.159 1.994 1.00 0.00 H new ATOM 0 HG3 MET A 68 12.409 20.218 2.886 1.00 0.00 H new ATOM 0 HE1 MET A 68 16.400 20.238 3.979 1.00 0.00 H new ATOM 0 HE2 MET A 68 15.798 19.420 2.517 1.00 0.00 H new ATOM 0 HE3 MET A 68 15.222 21.054 2.924 1.00 0.00 H new ATOM 1028 N LEU A 69 11.014 15.209 2.206 1.00 0.00 N ATOM 1029 CA LEU A 69 10.082 14.101 2.402 1.00 0.00 C ATOM 1030 C LEU A 69 10.798 12.914 3.041 1.00 0.00 C ATOM 1031 O LEU A 69 11.785 12.410 2.505 1.00 0.00 O ATOM 1032 CB LEU A 69 9.476 13.682 1.057 1.00 0.00 C ATOM 1033 CG LEU A 69 8.337 12.670 1.274 1.00 0.00 C ATOM 1034 CD1 LEU A 69 7.140 13.340 1.978 1.00 0.00 C ATOM 1035 CD2 LEU A 69 7.893 12.117 -0.087 1.00 0.00 C ATOM 0 H LEU A 69 11.004 15.614 1.270 1.00 0.00 H new ATOM 0 HA LEU A 69 9.283 14.429 3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.097 14.559 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.247 13.241 0.425 1.00 0.00 H new ATOM 0 HG LEU A 69 8.698 11.859 1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.346 12.607 2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.457 13.726 2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.770 14.161 1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.086 11.399 0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.542 12.936 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.735 11.623 -0.571 1.00 0.00 H new ATOM 1047 N ASP A 70 10.299 12.477 4.196 1.00 0.00 N ATOM 1048 CA ASP A 70 10.899 11.351 4.912 1.00 0.00 C ATOM 1049 C ASP A 70 11.340 10.259 3.943 1.00 0.00 C ATOM 1050 O ASP A 70 12.237 9.471 4.244 1.00 0.00 O ATOM 1051 CB ASP A 70 9.893 10.772 5.908 1.00 0.00 C ATOM 1052 CG ASP A 70 10.595 9.802 6.853 1.00 0.00 C ATOM 1053 OD1 ASP A 70 11.719 9.429 6.560 1.00 0.00 O ATOM 1054 OD2 ASP A 70 9.999 9.449 7.857 1.00 0.00 O ATOM 0 H ASP A 70 9.484 12.883 4.655 1.00 0.00 H new ATOM 0 HA ASP A 70 11.776 11.717 5.445 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.429 11.577 6.478 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.094 10.258 5.374 1.00 0.00 H new ATOM 1059 N THR A 71 10.702 10.219 2.779 1.00 0.00 N ATOM 1060 CA THR A 71 11.033 9.221 1.770 1.00 0.00 C ATOM 1061 C THR A 71 12.469 9.444 1.259 1.00 0.00 C ATOM 1062 O THR A 71 12.776 10.528 0.763 1.00 0.00 O ATOM 1063 CB THR A 71 10.046 9.333 0.600 1.00 0.00 C ATOM 1064 OG1 THR A 71 8.744 9.587 1.108 1.00 0.00 O ATOM 1065 CG2 THR A 71 10.035 8.033 -0.204 1.00 0.00 C ATOM 0 H THR A 71 9.957 10.862 2.512 1.00 0.00 H new ATOM 0 HA THR A 71 10.965 8.227 2.212 1.00 0.00 H new ATOM 0 HB THR A 71 10.354 10.150 -0.052 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.077 9.349 0.431 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.331 8.123 -1.032 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.033 7.839 -0.596 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.732 7.209 0.441 1.00 0.00 H new ATOM 1073 N PRO A 72 13.356 8.472 1.362 1.00 0.00 N ATOM 1074 CA PRO A 72 14.761 8.641 0.889 1.00 0.00 C ATOM 1075 C PRO A 72 14.869 8.596 -0.638 1.00 0.00 C ATOM 1076 O PRO A 72 14.839 9.633 -1.300 1.00 0.00 O ATOM 1077 CB PRO A 72 15.509 7.472 1.546 1.00 0.00 C ATOM 1078 CG PRO A 72 14.475 6.405 1.732 1.00 0.00 C ATOM 1079 CD PRO A 72 13.135 7.126 1.932 1.00 0.00 C ATOM 0 HA PRO A 72 15.174 9.613 1.160 1.00 0.00 H new ATOM 0 HB2 PRO A 72 16.327 7.123 0.916 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.945 7.769 2.500 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.436 5.747 0.864 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.712 5.781 2.594 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.324 6.606 1.422 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.866 7.180 2.987 1.00 0.00 H new ATOM 1087 N MET A 73 15.001 7.392 -1.188 1.00 0.00 N ATOM 1088 CA MET A 73 15.119 7.239 -2.638 1.00 0.00 C ATOM 1089 C MET A 73 15.066 5.773 -3.056 1.00 0.00 C ATOM 1090 O MET A 73 14.731 5.461 -4.195 1.00 0.00 O ATOM 1091 CB MET A 73 16.442 7.840 -3.116 1.00 0.00 C ATOM 1092 CG MET A 73 17.609 6.921 -2.731 1.00 0.00 C ATOM 1093 SD MET A 73 19.153 7.868 -2.724 1.00 0.00 S ATOM 1094 CE MET A 73 20.112 6.730 -1.693 1.00 0.00 C ATOM 0 H MET A 73 15.029 6.519 -0.662 1.00 0.00 H new ATOM 0 HA MET A 73 14.277 7.760 -3.093 1.00 0.00 H new ATOM 0 HB2 MET A 73 16.418 7.977 -4.197 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.584 8.826 -2.673 1.00 0.00 H new ATOM 0 HG2 MET A 73 17.433 6.486 -1.747 1.00 0.00 H new ATOM 0 HG3 MET A 73 17.681 6.094 -3.437 1.00 0.00 H new ATOM 0 HE1 MET A 73 21.119 7.124 -1.556 1.00 0.00 H new ATOM 0 HE2 MET A 73 19.628 6.623 -0.722 1.00 0.00 H new ATOM 0 HE3 MET A 73 20.167 5.756 -2.180 1.00 0.00 H new ATOM 1104 N SER A 74 15.406 4.881 -2.137 1.00 0.00 N ATOM 1105 CA SER A 74 15.393 3.451 -2.424 1.00 0.00 C ATOM 1106 C SER A 74 14.020 2.873 -2.109 1.00 0.00 C ATOM 1107 O SER A 74 13.693 1.758 -2.516 1.00 0.00 O ATOM 1108 CB SER A 74 16.450 2.739 -1.581 1.00 0.00 C ATOM 1109 OG SER A 74 16.166 2.939 -0.202 1.00 0.00 O ATOM 0 H SER A 74 15.694 5.120 -1.188 1.00 0.00 H new ATOM 0 HA SER A 74 15.615 3.302 -3.481 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.458 1.674 -1.811 1.00 0.00 H new ATOM 0 HB3 SER A 74 17.441 3.124 -1.819 1.00 0.00 H new ATOM 0 HG SER A 74 16.842 2.482 0.341 1.00 0.00 H new ATOM 1115 N ALA A 75 13.220 3.644 -1.378 1.00 0.00 N ATOM 1116 CA ALA A 75 11.885 3.211 -1.008 1.00 0.00 C ATOM 1117 C ALA A 75 10.978 3.183 -2.231 1.00 0.00 C ATOM 1118 O ALA A 75 10.089 2.339 -2.338 1.00 0.00 O ATOM 1119 CB ALA A 75 11.313 4.159 0.039 1.00 0.00 C ATOM 0 H ALA A 75 13.476 4.569 -1.033 1.00 0.00 H new ATOM 0 HA ALA A 75 11.942 2.204 -0.594 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.311 3.833 0.316 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.953 4.155 0.922 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.266 5.168 -0.371 1.00 0.00 H new ATOM 1125 N LEU A 76 11.204 4.106 -3.158 1.00 0.00 N ATOM 1126 CA LEU A 76 10.388 4.140 -4.361 1.00 0.00 C ATOM 1127 C LEU A 76 10.636 2.876 -5.170 1.00 0.00 C ATOM 1128 O LEU A 76 9.698 2.209 -5.606 1.00 0.00 O ATOM 1129 CB LEU A 76 10.719 5.352 -5.234 1.00 0.00 C ATOM 1130 CG LEU A 76 10.611 6.670 -4.451 1.00 0.00 C ATOM 1131 CD1 LEU A 76 9.264 6.753 -3.731 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.755 6.810 -3.429 1.00 0.00 C ATOM 0 H LEU A 76 11.927 4.823 -3.102 1.00 0.00 H new ATOM 0 HA LEU A 76 9.344 4.209 -4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.729 5.248 -5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.042 5.380 -6.087 1.00 0.00 H new ATOM 0 HG LEU A 76 10.689 7.487 -5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.203 7.692 -3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.457 6.708 -4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.171 5.919 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.650 7.753 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.714 5.982 -2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.712 6.794 -3.950 1.00 0.00 H new ATOM 1144 N LYS A 77 11.911 2.546 -5.356 1.00 0.00 N ATOM 1145 CA LYS A 77 12.271 1.350 -6.103 1.00 0.00 C ATOM 1146 C LYS A 77 11.639 0.135 -5.440 1.00 0.00 C ATOM 1147 O LYS A 77 11.240 -0.819 -6.108 1.00 0.00 O ATOM 1148 CB LYS A 77 13.792 1.175 -6.151 1.00 0.00 C ATOM 1149 CG LYS A 77 14.403 2.209 -7.106 1.00 0.00 C ATOM 1150 CD LYS A 77 14.161 3.624 -6.561 1.00 0.00 C ATOM 1151 CE LYS A 77 15.200 4.599 -7.128 1.00 0.00 C ATOM 1152 NZ LYS A 77 15.283 4.436 -8.608 1.00 0.00 N ATOM 0 H LYS A 77 12.702 3.084 -5.003 1.00 0.00 H new ATOM 0 HA LYS A 77 11.904 1.451 -7.124 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.213 1.295 -5.153 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.041 0.167 -6.483 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.472 2.029 -7.216 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.960 2.110 -8.097 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.158 3.956 -6.827 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.216 3.616 -5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.925 5.624 -6.880 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.174 4.412 -6.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.769 5.258 -9.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 15.814 3.571 -8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.324 4.366 -9.004 1.00 0.00 H new ATOM 1166 N ASP A 78 11.548 0.185 -4.113 1.00 0.00 N ATOM 1167 CA ASP A 78 10.959 -0.905 -3.354 1.00 0.00 C ATOM 1168 C ASP A 78 9.460 -0.977 -3.627 1.00 0.00 C ATOM 1169 O ASP A 78 8.953 -2.001 -4.084 1.00 0.00 O ATOM 1170 CB ASP A 78 11.209 -0.686 -1.856 1.00 0.00 C ATOM 1171 CG ASP A 78 12.652 -1.038 -1.509 1.00 0.00 C ATOM 1172 OD1 ASP A 78 13.510 -0.835 -2.352 1.00 0.00 O ATOM 1173 OD2 ASP A 78 12.878 -1.505 -0.405 1.00 0.00 O ATOM 0 H ASP A 78 11.875 0.968 -3.547 1.00 0.00 H new ATOM 0 HA ASP A 78 11.419 -1.845 -3.659 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.006 0.352 -1.593 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.526 -1.302 -1.271 1.00 0.00 H new ATOM 1178 N ALA A 79 8.755 0.112 -3.340 1.00 0.00 N ATOM 1179 CA ALA A 79 7.315 0.159 -3.553 1.00 0.00 C ATOM 1180 C ALA A 79 6.965 -0.040 -5.029 1.00 0.00 C ATOM 1181 O ALA A 79 6.309 -1.019 -5.379 1.00 0.00 O ATOM 1182 CB ALA A 79 6.764 1.502 -3.063 1.00 0.00 C ATOM 0 H ALA A 79 9.156 0.970 -2.961 1.00 0.00 H new ATOM 0 HA ALA A 79 6.860 -0.653 -2.986 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.686 1.534 -3.224 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.976 1.616 -2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.237 2.313 -3.616 1.00 0.00 H new ATOM 1188 N VAL A 80 7.385 0.908 -5.879 1.00 0.00 N ATOM 1189 CA VAL A 80 7.099 0.852 -7.322 1.00 0.00 C ATOM 1190 C VAL A 80 7.100 -0.586 -7.842 1.00 0.00 C ATOM 1191 O VAL A 80 6.476 -0.892 -8.853 1.00 0.00 O ATOM 1192 CB VAL A 80 8.119 1.700 -8.089 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.416 0.917 -8.307 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.542 2.102 -9.451 1.00 0.00 C ATOM 0 H VAL A 80 7.925 1.725 -5.593 1.00 0.00 H new ATOM 0 HA VAL A 80 6.100 1.257 -7.484 1.00 0.00 H new ATOM 0 HB VAL A 80 8.335 2.591 -7.500 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.127 1.536 -8.853 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.841 0.641 -7.342 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.204 0.015 -8.881 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.272 2.705 -9.992 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.313 1.206 -10.028 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.631 2.682 -9.303 1.00 0.00 H new ATOM 1204 N ARG A 81 7.801 -1.455 -7.133 1.00 0.00 N ATOM 1205 CA ARG A 81 7.876 -2.859 -7.513 1.00 0.00 C ATOM 1206 C ARG A 81 6.605 -3.573 -7.082 1.00 0.00 C ATOM 1207 O ARG A 81 5.899 -4.172 -7.892 1.00 0.00 O ATOM 1208 CB ARG A 81 9.078 -3.525 -6.839 1.00 0.00 C ATOM 1209 CG ARG A 81 9.307 -4.915 -7.447 1.00 0.00 C ATOM 1210 CD ARG A 81 10.240 -5.730 -6.546 1.00 0.00 C ATOM 1211 NE ARG A 81 11.595 -5.188 -6.600 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.453 -5.566 -7.543 1.00 0.00 C ATOM 1213 NH1 ARG A 81 12.089 -6.435 -8.446 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.658 -5.067 -7.567 1.00 0.00 N ATOM 0 H ARG A 81 8.326 -1.215 -6.292 1.00 0.00 H new ATOM 0 HA ARG A 81 7.988 -2.924 -8.595 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.968 -2.909 -6.970 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.904 -3.611 -5.766 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.355 -5.433 -7.562 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.740 -4.819 -8.443 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.874 -5.711 -5.520 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.245 -6.773 -6.864 1.00 0.00 H new ATOM 0 HE ARG A 81 11.889 -4.506 -5.901 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.146 -6.824 -8.428 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.747 -6.725 -9.169 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.942 -4.387 -6.862 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.316 -5.357 -8.290 1.00 0.00 H new ATOM 1228 N ILE A 82 6.345 -3.514 -5.785 1.00 0.00 N ATOM 1229 CA ILE A 82 5.182 -4.162 -5.206 1.00 0.00 C ATOM 1230 C ILE A 82 3.902 -3.859 -5.997 1.00 0.00 C ATOM 1231 O ILE A 82 3.094 -4.762 -6.215 1.00 0.00 O ATOM 1232 CB ILE A 82 5.041 -3.733 -3.735 1.00 0.00 C ATOM 1233 CG1 ILE A 82 6.072 -4.490 -2.887 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.634 -4.051 -3.222 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.172 -3.851 -1.502 1.00 0.00 C ATOM 0 H ILE A 82 6.929 -3.020 -5.111 1.00 0.00 H new ATOM 0 HA ILE A 82 5.328 -5.241 -5.255 1.00 0.00 H new ATOM 0 HB ILE A 82 5.212 -2.659 -3.660 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.782 -5.537 -2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.045 -4.471 -3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.548 -3.742 -2.180 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.898 -3.514 -3.821 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.452 -5.123 -3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.905 -4.392 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.482 -2.811 -1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.200 -3.894 -1.011 1.00 0.00 H new ATOM 1247 N LEU A 83 3.700 -2.611 -6.433 1.00 0.00 N ATOM 1248 CA LEU A 83 2.484 -2.305 -7.192 1.00 0.00 C ATOM 1249 C LEU A 83 2.629 -2.820 -8.615 1.00 0.00 C ATOM 1250 O LEU A 83 1.666 -3.298 -9.211 1.00 0.00 O ATOM 1251 CB LEU A 83 2.135 -0.788 -7.231 1.00 0.00 C ATOM 1252 CG LEU A 83 2.658 -0.009 -5.999 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.616 -0.845 -4.707 1.00 0.00 C ATOM 1254 CD2 LEU A 83 4.068 0.487 -6.267 1.00 0.00 C ATOM 0 H LEU A 83 4.334 -1.826 -6.282 1.00 0.00 H new ATOM 0 HA LEU A 83 1.665 -2.804 -6.674 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.555 -0.348 -8.136 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.053 -0.672 -7.293 1.00 0.00 H new ATOM 0 HG LEU A 83 1.993 0.840 -5.842 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.994 -0.250 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.589 -1.145 -4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.236 -1.733 -4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.432 1.035 -5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.722 -0.363 -6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.063 1.146 -7.135 1.00 0.00 H new ATOM 1266 N TRP A 84 3.837 -2.724 -9.157 1.00 0.00 N ATOM 1267 CA TRP A 84 4.071 -3.198 -10.520 1.00 0.00 C ATOM 1268 C TRP A 84 3.495 -4.609 -10.685 1.00 0.00 C ATOM 1269 O TRP A 84 3.281 -5.076 -11.804 1.00 0.00 O ATOM 1270 CB TRP A 84 5.590 -3.196 -10.826 1.00 0.00 C ATOM 1271 CG TRP A 84 5.922 -2.198 -11.895 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.561 -2.489 -13.049 1.00 0.00 C ATOM 1273 CD2 TRP A 84 5.652 -0.767 -11.924 1.00 0.00 C ATOM 1274 NE1 TRP A 84 6.701 -1.330 -13.785 1.00 0.00 N ATOM 1275 CE2 TRP A 84 6.159 -0.242 -13.136 1.00 0.00 C ATOM 1276 CE3 TRP A 84 5.024 0.118 -11.031 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 6.050 1.110 -13.450 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 4.911 1.482 -11.345 1.00 0.00 C ATOM 1279 CH2 TRP A 84 5.425 1.975 -12.551 1.00 0.00 C ATOM 0 H TRP A 84 4.654 -2.332 -8.689 1.00 0.00 H new ATOM 0 HA TRP A 84 3.573 -2.531 -11.223 1.00 0.00 H new ATOM 0 HB2 TRP A 84 6.147 -2.961 -9.919 1.00 0.00 H new ATOM 0 HB3 TRP A 84 5.902 -4.191 -11.143 1.00 0.00 H new ATOM 0 HD1 TRP A 84 6.906 -3.468 -13.347 1.00 0.00 H new ATOM 0 HE1 TRP A 84 7.151 -1.284 -14.699 1.00 0.00 H new ATOM 0 HE3 TRP A 84 4.626 -0.253 -10.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 6.446 1.486 -14.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 4.425 2.154 -10.653 1.00 0.00 H new ATOM 0 HH2 TRP A 84 5.338 3.026 -12.785 1.00 0.00 H new ATOM 1290 N GLY A 85 3.253 -5.276 -9.560 1.00 0.00 N ATOM 1291 CA GLY A 85 2.707 -6.630 -9.581 1.00 0.00 C ATOM 1292 C GLY A 85 3.820 -7.659 -9.744 1.00 0.00 C ATOM 1293 O GLY A 85 3.570 -8.804 -10.122 1.00 0.00 O ATOM 0 H GLY A 85 3.425 -4.903 -8.626 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.161 -6.821 -8.657 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.993 -6.727 -10.399 1.00 0.00 H new ATOM 1297 N GLU A 86 5.055 -7.243 -9.454 1.00 0.00 N ATOM 1298 CA GLU A 86 6.217 -8.131 -9.569 1.00 0.00 C ATOM 1299 C GLU A 86 6.794 -8.425 -8.186 1.00 0.00 C ATOM 1300 O GLU A 86 7.811 -9.107 -8.062 1.00 0.00 O ATOM 1301 CB GLU A 86 7.286 -7.468 -10.449 1.00 0.00 C ATOM 1302 CG GLU A 86 8.271 -8.520 -10.975 1.00 0.00 C ATOM 1303 CD GLU A 86 9.206 -7.887 -11.997 1.00 0.00 C ATOM 1304 OE1 GLU A 86 9.657 -6.781 -11.753 1.00 0.00 O ATOM 1305 OE2 GLU A 86 9.459 -8.517 -13.011 1.00 0.00 O ATOM 0 H GLU A 86 5.277 -6.299 -9.138 1.00 0.00 H new ATOM 0 HA GLU A 86 5.903 -9.070 -10.026 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.811 -6.955 -11.285 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.822 -6.713 -9.874 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.848 -8.936 -10.149 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.725 -9.346 -11.431 1.00 0.00 H new ATOM 1312 N ALA A 87 6.131 -7.897 -7.154 1.00 0.00 N ATOM 1313 CA ALA A 87 6.561 -8.089 -5.765 1.00 0.00 C ATOM 1314 C ALA A 87 7.274 -9.433 -5.568 1.00 0.00 C ATOM 1315 O ALA A 87 8.208 -9.541 -4.774 1.00 0.00 O ATOM 1316 CB ALA A 87 5.334 -8.008 -4.840 1.00 0.00 C ATOM 0 H ALA A 87 5.289 -7.330 -7.255 1.00 0.00 H new ATOM 0 HA ALA A 87 7.273 -7.301 -5.518 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.648 -8.150 -3.806 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.863 -7.031 -4.945 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.621 -8.786 -5.113 1.00 0.00 H new ATOM 1322 N GLU A 88 6.821 -10.449 -6.296 1.00 0.00 N ATOM 1323 CA GLU A 88 7.420 -11.777 -6.192 1.00 0.00 C ATOM 1324 C GLU A 88 8.942 -11.688 -6.255 1.00 0.00 C ATOM 1325 O GLU A 88 9.509 -11.310 -7.280 1.00 0.00 O ATOM 1326 CB GLU A 88 6.908 -12.666 -7.326 1.00 0.00 C ATOM 1327 CG GLU A 88 5.380 -12.694 -7.301 1.00 0.00 C ATOM 1328 CD GLU A 88 4.852 -13.545 -8.452 1.00 0.00 C ATOM 1329 OE1 GLU A 88 4.932 -13.093 -9.582 1.00 0.00 O ATOM 1330 OE2 GLU A 88 4.376 -14.636 -8.185 1.00 0.00 O ATOM 0 H GLU A 88 6.049 -10.381 -6.959 1.00 0.00 H new ATOM 0 HA GLU A 88 7.136 -12.211 -5.233 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.260 -12.288 -8.286 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.303 -13.676 -7.217 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.032 -13.098 -6.350 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.989 -11.680 -7.379 1.00 0.00 H new