USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=8 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 Single : A 25 THR OG1 : rot 180:sc=7.89e-06 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.599 USER MOD Single : A 29 GLN : amide:sc= -0.358 K(o=-0.36,f=-2.5!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.45) 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 71 THR OG1 : rot -150:sc= -1.5 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+ 125:sc= -0.199 (180deg=-1.24!) USER MOD ----------------------------------------------------------------- ATOM 183 N LEU A 13 -4.100 -6.472 -1.302 1.00 0.00 N ATOM 184 CA LEU A 13 -3.139 -6.428 -0.191 1.00 0.00 C ATOM 185 C LEU A 13 -1.763 -5.941 -0.659 1.00 0.00 C ATOM 186 O LEU A 13 -1.215 -4.989 -0.106 1.00 0.00 O ATOM 187 CB LEU A 13 -3.009 -7.823 0.491 1.00 0.00 C ATOM 188 CG LEU A 13 -4.000 -8.814 -0.129 1.00 0.00 C ATOM 189 CD1 LEU A 13 -3.712 -10.220 0.402 1.00 0.00 C ATOM 190 CD2 LEU A 13 -5.453 -8.402 0.212 1.00 0.00 C ATOM 0 HA LEU A 13 -3.522 -5.716 0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.992 -8.197 0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.198 -7.731 1.561 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.884 -8.807 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.416 -10.926 -0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.695 -10.508 0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.820 -10.228 1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.147 -9.114 -0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.585 -8.396 1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.651 -7.406 -0.183 1.00 0.00 H new ATOM 202 N ARG A 14 -1.204 -6.614 -1.656 1.00 0.00 N ATOM 203 CA ARG A 14 0.117 -6.257 -2.169 1.00 0.00 C ATOM 204 C ARG A 14 0.276 -4.744 -2.301 1.00 0.00 C ATOM 205 O ARG A 14 1.332 -4.195 -1.991 1.00 0.00 O ATOM 206 CB ARG A 14 0.338 -6.904 -3.537 1.00 0.00 C ATOM 207 CG ARG A 14 0.499 -8.416 -3.376 1.00 0.00 C ATOM 208 CD ARG A 14 0.604 -9.064 -4.757 1.00 0.00 C ATOM 209 NE ARG A 14 0.572 -10.520 -4.638 1.00 0.00 N ATOM 210 CZ ARG A 14 1.682 -11.221 -4.419 1.00 0.00 C ATOM 211 NH1 ARG A 14 2.830 -10.611 -4.304 1.00 0.00 N ATOM 212 NH2 ARG A 14 1.622 -12.521 -4.319 1.00 0.00 N ATOM 0 H ARG A 14 -1.640 -7.407 -2.126 1.00 0.00 H new ATOM 0 HA ARG A 14 0.857 -6.622 -1.457 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.505 -6.687 -4.193 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.226 -6.483 -4.009 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.390 -8.638 -2.789 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.351 -8.828 -2.832 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.218 -8.726 -5.388 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.528 -8.752 -5.243 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.319 -11.009 -4.725 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.878 -9.595 -4.382 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.679 -11.150 -4.136 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.725 -12.999 -4.409 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.472 -13.059 -4.151 1.00 0.00 H new ATOM 226 N ILE A 15 -0.768 -4.079 -2.778 1.00 0.00 N ATOM 227 CA ILE A 15 -0.721 -2.632 -2.969 1.00 0.00 C ATOM 228 C ILE A 15 -0.563 -1.897 -1.643 1.00 0.00 C ATOM 229 O ILE A 15 -0.093 -0.761 -1.610 1.00 0.00 O ATOM 230 CB ILE A 15 -2.003 -2.161 -3.657 1.00 0.00 C ATOM 231 CG1 ILE A 15 -2.343 -3.112 -4.807 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.811 -0.743 -4.201 1.00 0.00 C ATOM 233 CD1 ILE A 15 -1.130 -3.288 -5.725 1.00 0.00 C ATOM 0 H ILE A 15 -1.653 -4.513 -3.039 1.00 0.00 H new ATOM 0 HA ILE A 15 0.145 -2.405 -3.591 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.819 -2.158 -2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.651 -4.079 -4.410 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.185 -2.719 -5.377 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.728 -0.414 -4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.575 -0.067 -3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.993 -0.737 -4.922 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.385 -3.967 -6.539 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.841 -2.321 -6.136 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.299 -3.702 -5.154 1.00 0.00 H new ATOM 245 N ALA A 16 -0.976 -2.539 -0.552 1.00 0.00 N ATOM 246 CA ALA A 16 -0.892 -1.922 0.768 1.00 0.00 C ATOM 247 C ALA A 16 0.367 -2.343 1.507 1.00 0.00 C ATOM 248 O ALA A 16 0.792 -1.672 2.444 1.00 0.00 O ATOM 249 CB ALA A 16 -2.131 -2.277 1.586 1.00 0.00 C ATOM 0 H ALA A 16 -1.370 -3.480 -0.556 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.845 -0.842 0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.062 -1.814 2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.022 -1.912 1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.195 -3.359 1.698 1.00 0.00 H new ATOM 255 N LEU A 17 0.978 -3.432 1.081 1.00 0.00 N ATOM 256 CA LEU A 17 2.205 -3.875 1.726 1.00 0.00 C ATOM 257 C LEU A 17 3.298 -2.859 1.418 1.00 0.00 C ATOM 258 O LEU A 17 4.206 -2.635 2.217 1.00 0.00 O ATOM 259 CB LEU A 17 2.597 -5.282 1.221 1.00 0.00 C ATOM 260 CG LEU A 17 2.142 -6.367 2.219 1.00 0.00 C ATOM 261 CD1 LEU A 17 2.929 -6.249 3.544 1.00 0.00 C ATOM 262 CD2 LEU A 17 0.631 -6.229 2.488 1.00 0.00 C ATOM 0 H LEU A 17 0.657 -4.017 0.309 1.00 0.00 H new ATOM 0 HA LEU A 17 2.063 -3.942 2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.143 -5.464 0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.677 -5.337 1.084 1.00 0.00 H new ATOM 0 HG LEU A 17 2.341 -7.347 1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.595 -7.022 4.236 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.994 -6.374 3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.754 -5.268 3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.315 -6.998 3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.425 -5.244 2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.083 -6.347 1.553 1.00 0.00 H new ATOM 274 N ALA A 18 3.184 -2.246 0.248 1.00 0.00 N ATOM 275 CA ALA A 18 4.141 -1.242 -0.185 1.00 0.00 C ATOM 276 C ALA A 18 4.210 -0.094 0.815 1.00 0.00 C ATOM 277 O ALA A 18 5.291 0.402 1.123 1.00 0.00 O ATOM 278 CB ALA A 18 3.731 -0.719 -1.558 1.00 0.00 C ATOM 0 H ALA A 18 2.435 -2.429 -0.419 1.00 0.00 H new ATOM 0 HA ALA A 18 5.130 -1.696 -0.246 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.445 0.035 -1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.717 -1.543 -2.272 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.737 -0.275 -1.496 1.00 0.00 H new ATOM 284 N ALA A 19 3.054 0.329 1.321 1.00 0.00 N ATOM 285 CA ALA A 19 3.024 1.427 2.289 1.00 0.00 C ATOM 286 C ALA A 19 4.156 1.260 3.306 1.00 0.00 C ATOM 287 O ALA A 19 4.778 2.238 3.721 1.00 0.00 O ATOM 288 CB ALA A 19 1.672 1.483 3.005 1.00 0.00 C ATOM 0 H ALA A 19 2.142 -0.061 1.084 1.00 0.00 H new ATOM 0 HA ALA A 19 3.165 2.365 1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.672 2.306 3.719 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.879 1.638 2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.501 0.545 3.533 1.00 0.00 H new ATOM 294 N ARG A 20 4.427 0.012 3.687 1.00 0.00 N ATOM 295 CA ARG A 20 5.499 -0.262 4.637 1.00 0.00 C ATOM 296 C ARG A 20 6.845 0.137 4.036 1.00 0.00 C ATOM 297 O ARG A 20 7.717 0.663 4.730 1.00 0.00 O ATOM 298 CB ARG A 20 5.523 -1.749 4.991 1.00 0.00 C ATOM 299 CG ARG A 20 4.223 -2.129 5.705 1.00 0.00 C ATOM 300 CD ARG A 20 4.232 -3.626 6.030 1.00 0.00 C ATOM 301 NE ARG A 20 3.247 -3.929 7.063 1.00 0.00 N ATOM 302 CZ ARG A 20 3.489 -3.660 8.343 1.00 0.00 C ATOM 303 NH1 ARG A 20 4.620 -3.108 8.691 1.00 0.00 N ATOM 304 NH2 ARG A 20 2.598 -3.949 9.251 1.00 0.00 N ATOM 0 H ARG A 20 3.926 -0.813 3.357 1.00 0.00 H new ATOM 0 HA ARG A 20 5.319 0.320 5.541 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.641 -2.346 4.087 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.378 -1.967 5.631 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.117 -1.549 6.621 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.367 -1.889 5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.013 -4.201 5.130 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.225 -3.926 6.366 1.00 0.00 H new ATOM 0 HE ARG A 20 2.358 -4.354 6.799 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.317 -2.883 7.981 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.806 -2.902 9.672 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.715 -4.382 8.980 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.784 -3.742 10.232 1.00 0.00 H new ATOM 318 N ALA A 21 7.004 -0.122 2.740 1.00 0.00 N ATOM 319 CA ALA A 21 8.243 0.203 2.036 1.00 0.00 C ATOM 320 C ALA A 21 8.549 1.686 2.114 1.00 0.00 C ATOM 321 O ALA A 21 9.606 2.126 1.668 1.00 0.00 O ATOM 322 CB ALA A 21 8.112 -0.158 0.558 1.00 0.00 C ATOM 0 H ALA A 21 6.290 -0.556 2.155 1.00 0.00 H new ATOM 0 HA ALA A 21 9.043 -0.365 2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.039 0.087 0.040 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.913 -1.225 0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.290 0.406 0.117 1.00 0.00 H new ATOM 328 N LEU A 22 7.614 2.462 2.652 1.00 0.00 N ATOM 329 CA LEU A 22 7.782 3.910 2.749 1.00 0.00 C ATOM 330 C LEU A 22 7.904 4.337 4.217 1.00 0.00 C ATOM 331 O LEU A 22 7.293 3.724 5.092 1.00 0.00 O ATOM 332 CB LEU A 22 6.562 4.587 2.119 1.00 0.00 C ATOM 333 CG LEU A 22 6.282 3.994 0.722 1.00 0.00 C ATOM 334 CD1 LEU A 22 4.920 4.494 0.225 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.394 4.399 -0.275 1.00 0.00 C ATOM 0 H LEU A 22 6.732 2.114 3.028 1.00 0.00 H new ATOM 0 HA LEU A 22 8.691 4.205 2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.691 4.452 2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.735 5.660 2.038 1.00 0.00 H new ATOM 0 HG LEU A 22 6.269 2.906 0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.718 4.078 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.141 4.178 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.932 5.582 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.178 3.971 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.433 5.485 -0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.355 4.026 0.080 1.00 0.00 H new ATOM 347 N PRO A 23 8.671 5.364 4.510 1.00 0.00 N ATOM 348 CA PRO A 23 8.849 5.848 5.906 1.00 0.00 C ATOM 349 C PRO A 23 7.544 5.798 6.707 1.00 0.00 C ATOM 350 O PRO A 23 7.383 4.967 7.600 1.00 0.00 O ATOM 351 CB PRO A 23 9.354 7.294 5.745 1.00 0.00 C ATOM 352 CG PRO A 23 9.934 7.388 4.355 1.00 0.00 C ATOM 353 CD PRO A 23 9.449 6.165 3.552 1.00 0.00 C ATOM 0 HA PRO A 23 9.543 5.221 6.466 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.540 8.007 5.876 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.107 7.529 6.497 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.616 8.312 3.871 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.023 7.409 4.397 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.837 6.468 2.703 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.289 5.597 3.153 1.00 0.00 H new ATOM 361 N GLY A 24 6.621 6.702 6.381 1.00 0.00 N ATOM 362 CA GLY A 24 5.332 6.770 7.069 1.00 0.00 C ATOM 363 C GLY A 24 4.208 7.064 6.083 1.00 0.00 C ATOM 364 O GLY A 24 3.055 7.244 6.477 1.00 0.00 O ATOM 0 H GLY A 24 6.742 7.398 5.645 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.137 5.827 7.579 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.363 7.546 7.834 1.00 0.00 H new ATOM 368 N THR A 25 4.550 7.109 4.800 1.00 0.00 N ATOM 369 CA THR A 25 3.557 7.377 3.768 1.00 0.00 C ATOM 370 C THR A 25 2.438 6.344 3.842 1.00 0.00 C ATOM 371 O THR A 25 2.693 5.155 4.034 1.00 0.00 O ATOM 372 CB THR A 25 4.215 7.337 2.389 1.00 0.00 C ATOM 373 OG1 THR A 25 5.368 8.169 2.391 1.00 0.00 O ATOM 374 CG2 THR A 25 3.232 7.827 1.327 1.00 0.00 C ATOM 0 H THR A 25 5.498 6.965 4.453 1.00 0.00 H new ATOM 0 HA THR A 25 3.135 8.369 3.930 1.00 0.00 H new ATOM 0 HB THR A 25 4.504 6.311 2.160 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.792 8.143 1.508 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.709 7.795 0.347 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.351 7.185 1.323 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.934 8.851 1.552 1.00 0.00 H new ATOM 382 N THR A 26 1.198 6.804 3.708 1.00 0.00 N ATOM 383 CA THR A 26 0.045 5.917 3.781 1.00 0.00 C ATOM 384 C THR A 26 -0.213 5.247 2.427 1.00 0.00 C ATOM 385 O THR A 26 0.300 5.679 1.397 1.00 0.00 O ATOM 386 CB THR A 26 -1.190 6.733 4.240 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.778 8.058 4.538 1.00 0.00 O ATOM 388 CG2 THR A 26 -1.805 6.119 5.501 1.00 0.00 C ATOM 0 H THR A 26 0.967 7.785 3.549 1.00 0.00 H new ATOM 0 HA THR A 26 0.242 5.125 4.504 1.00 0.00 H new ATOM 0 HB THR A 26 -1.932 6.726 3.442 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.552 8.584 4.828 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.671 6.707 5.807 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.117 5.095 5.293 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.066 6.117 6.302 1.00 0.00 H new ATOM 396 N VAL A 27 -0.993 4.176 2.455 1.00 0.00 N ATOM 397 CA VAL A 27 -1.305 3.420 1.246 1.00 0.00 C ATOM 398 C VAL A 27 -2.033 4.274 0.216 1.00 0.00 C ATOM 399 O VAL A 27 -1.611 4.371 -0.934 1.00 0.00 O ATOM 400 CB VAL A 27 -2.193 2.221 1.585 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.351 1.343 0.339 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.575 1.392 2.722 1.00 0.00 C ATOM 0 H VAL A 27 -1.424 3.808 3.303 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.355 3.088 0.826 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.167 2.585 1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.983 0.487 0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.811 1.925 -0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.371 0.992 0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.222 0.544 2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.594 1.028 2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.470 2.015 3.611 1.00 0.00 H new ATOM 412 N GLY A 28 -3.148 4.860 0.623 1.00 0.00 N ATOM 413 CA GLY A 28 -3.947 5.669 -0.286 1.00 0.00 C ATOM 414 C GLY A 28 -3.288 7.004 -0.618 1.00 0.00 C ATOM 415 O GLY A 28 -3.945 7.894 -1.158 1.00 0.00 O ATOM 0 H GLY A 28 -3.519 4.792 1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.116 5.113 -1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.925 5.852 0.160 1.00 0.00 H new ATOM 419 N GLN A 29 -1.999 7.167 -0.294 1.00 0.00 N ATOM 420 CA GLN A 29 -1.319 8.438 -0.581 1.00 0.00 C ATOM 421 C GLN A 29 -0.517 8.376 -1.879 1.00 0.00 C ATOM 422 O GLN A 29 -0.169 9.416 -2.439 1.00 0.00 O ATOM 423 CB GLN A 29 -0.382 8.808 0.572 1.00 0.00 C ATOM 424 CG GLN A 29 -1.201 9.286 1.773 1.00 0.00 C ATOM 425 CD GLN A 29 -1.813 10.653 1.481 1.00 0.00 C ATOM 426 OE1 GLN A 29 -1.497 11.273 0.467 1.00 0.00 O ATOM 427 NE2 GLN A 29 -2.675 11.162 2.319 1.00 0.00 N ATOM 0 H GLN A 29 -1.419 6.458 0.154 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.092 9.198 -0.694 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.222 7.945 0.853 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.307 9.591 0.256 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.989 8.566 1.995 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.565 9.345 2.656 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.935 10.646 3.159 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.088 12.076 2.133 1.00 0.00 H new ATOM 436 N LEU A 30 -0.198 7.170 -2.355 1.00 0.00 N ATOM 437 CA LEU A 30 0.596 7.038 -3.588 1.00 0.00 C ATOM 438 C LEU A 30 -0.290 6.803 -4.820 1.00 0.00 C ATOM 439 O LEU A 30 0.166 6.997 -5.947 1.00 0.00 O ATOM 440 CB LEU A 30 1.642 5.898 -3.450 1.00 0.00 C ATOM 441 CG LEU A 30 1.165 4.836 -2.434 1.00 0.00 C ATOM 442 CD1 LEU A 30 1.747 3.466 -2.797 1.00 0.00 C ATOM 443 CD2 LEU A 30 1.630 5.206 -1.018 1.00 0.00 C ATOM 0 H LEU A 30 -0.468 6.287 -1.921 1.00 0.00 H new ATOM 0 HA LEU A 30 1.120 7.982 -3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.807 5.431 -4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.598 6.312 -3.128 1.00 0.00 H new ATOM 0 HG LEU A 30 0.076 4.799 -2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.406 2.723 -2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.414 3.182 -3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.836 3.517 -2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.287 4.449 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.719 5.257 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.215 6.175 -0.740 1.00 0.00 H new ATOM 455 N LEU A 31 -1.548 6.395 -4.624 1.00 0.00 N ATOM 456 CA LEU A 31 -2.446 6.157 -5.765 1.00 0.00 C ATOM 457 C LEU A 31 -3.319 7.382 -6.027 1.00 0.00 C ATOM 458 O LEU A 31 -3.445 7.838 -7.164 1.00 0.00 O ATOM 459 CB LEU A 31 -3.365 4.955 -5.488 1.00 0.00 C ATOM 460 CG LEU A 31 -2.574 3.632 -5.482 1.00 0.00 C ATOM 461 CD1 LEU A 31 -1.936 3.371 -6.860 1.00 0.00 C ATOM 462 CD2 LEU A 31 -1.487 3.679 -4.399 1.00 0.00 C ATOM 0 H LEU A 31 -1.963 6.225 -3.708 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.824 5.954 -6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.861 5.088 -4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.146 4.910 -6.247 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.264 2.817 -5.264 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.383 2.432 -6.833 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.718 3.310 -7.617 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.256 4.186 -7.106 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.932 2.741 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.805 4.505 -4.603 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.951 3.825 -3.424 1.00 0.00 H new ATOM 715 N LEU A 47 -1.840 0.487 -12.976 1.00 0.00 N ATOM 716 CA LEU A 47 -0.808 1.145 -12.175 1.00 0.00 C ATOM 717 C LEU A 47 0.503 1.230 -12.957 1.00 0.00 C ATOM 718 O LEU A 47 1.350 2.078 -12.677 1.00 0.00 O ATOM 719 CB LEU A 47 -0.591 0.375 -10.860 1.00 0.00 C ATOM 720 CG LEU A 47 -1.665 0.780 -9.841 1.00 0.00 C ATOM 721 CD1 LEU A 47 -3.054 0.524 -10.431 1.00 0.00 C ATOM 722 CD2 LEU A 47 -1.490 -0.034 -8.552 1.00 0.00 C ATOM 0 HA LEU A 47 -1.139 2.157 -11.943 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.637 -0.698 -11.044 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.401 0.588 -10.462 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.562 1.840 -9.610 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.816 0.812 -9.706 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.177 1.112 -11.340 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.160 -0.535 -10.667 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.254 0.257 -7.831 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.588 -1.096 -8.776 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.503 0.158 -8.131 1.00 0.00 H new ATOM 734 N GLN A 48 0.656 0.355 -13.948 1.00 0.00 N ATOM 735 CA GLN A 48 1.863 0.354 -14.771 1.00 0.00 C ATOM 736 C GLN A 48 1.753 1.420 -15.857 1.00 0.00 C ATOM 737 O GLN A 48 1.702 1.105 -17.046 1.00 0.00 O ATOM 738 CB GLN A 48 2.065 -1.016 -15.422 1.00 0.00 C ATOM 739 CG GLN A 48 2.115 -2.098 -14.343 1.00 0.00 C ATOM 740 CD GLN A 48 2.246 -3.473 -14.991 1.00 0.00 C ATOM 741 OE1 GLN A 48 2.989 -3.634 -15.960 1.00 0.00 O ATOM 742 NE2 GLN A 48 1.566 -4.480 -14.514 1.00 0.00 N ATOM 0 H GLN A 48 -0.032 -0.355 -14.199 1.00 0.00 H new ATOM 0 HA GLN A 48 2.718 0.573 -14.131 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.252 -1.221 -16.119 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.989 -1.022 -16.000 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.958 -1.919 -13.676 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.212 -2.058 -13.734 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.951 -4.346 -13.711 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.650 -5.401 -14.944 1.00 0.00 H new ATOM 751 N GLY A 49 1.708 2.686 -15.440 1.00 0.00 N ATOM 752 CA GLY A 49 1.593 3.795 -16.388 1.00 0.00 C ATOM 753 C GLY A 49 2.307 5.039 -15.873 1.00 0.00 C ATOM 754 O GLY A 49 2.275 6.090 -16.514 1.00 0.00 O ATOM 0 H GLY A 49 1.749 2.968 -14.461 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.017 3.501 -17.348 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.541 4.022 -16.560 1.00 0.00 H new ATOM 758 N VAL A 50 2.961 4.917 -14.714 1.00 0.00 N ATOM 759 CA VAL A 50 3.695 6.043 -14.121 1.00 0.00 C ATOM 760 C VAL A 50 5.170 5.668 -13.964 1.00 0.00 C ATOM 761 O VAL A 50 5.551 4.519 -14.185 1.00 0.00 O ATOM 762 CB VAL A 50 3.054 6.427 -12.755 1.00 0.00 C ATOM 763 CG1 VAL A 50 3.750 5.712 -11.581 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.144 7.947 -12.543 1.00 0.00 C ATOM 0 H VAL A 50 2.998 4.056 -14.169 1.00 0.00 H new ATOM 0 HA VAL A 50 3.635 6.912 -14.776 1.00 0.00 H new ATOM 0 HB VAL A 50 2.011 6.112 -12.781 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.276 6.004 -10.644 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.664 4.633 -11.710 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.803 5.992 -11.557 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.694 8.208 -11.585 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.190 8.254 -12.548 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.612 8.458 -13.345 1.00 0.00 H new ATOM 774 N SER A 51 5.999 6.639 -13.577 1.00 0.00 N ATOM 775 CA SER A 51 7.432 6.401 -13.387 1.00 0.00 C ATOM 776 C SER A 51 7.776 6.601 -11.922 1.00 0.00 C ATOM 777 O SER A 51 7.007 7.219 -11.194 1.00 0.00 O ATOM 778 CB SER A 51 8.244 7.372 -14.244 1.00 0.00 C ATOM 779 OG SER A 51 8.057 7.053 -15.618 1.00 0.00 O ATOM 0 H SER A 51 5.704 7.597 -13.389 1.00 0.00 H new ATOM 0 HA SER A 51 7.674 5.382 -13.688 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.929 8.397 -14.050 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.301 7.309 -13.984 1.00 0.00 H new ATOM 0 HG SER A 51 8.575 7.674 -16.171 1.00 0.00 H new ATOM 785 N VAL A 52 8.926 6.087 -11.495 1.00 0.00 N ATOM 786 CA VAL A 52 9.344 6.225 -10.100 1.00 0.00 C ATOM 787 C VAL A 52 9.370 7.701 -9.675 1.00 0.00 C ATOM 788 O VAL A 52 8.962 8.042 -8.565 1.00 0.00 O ATOM 789 CB VAL A 52 10.734 5.577 -9.898 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.446 6.176 -8.669 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.561 4.065 -9.695 1.00 0.00 C ATOM 0 H VAL A 52 9.581 5.576 -12.087 1.00 0.00 H new ATOM 0 HA VAL A 52 8.619 5.709 -9.471 1.00 0.00 H new ATOM 0 HB VAL A 52 11.342 5.773 -10.781 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.421 5.704 -8.548 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.577 7.249 -8.811 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.844 5.999 -7.778 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.538 3.603 -9.552 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.942 3.884 -8.816 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.080 3.633 -10.572 1.00 0.00 H new ATOM 801 N THR A 53 9.876 8.560 -10.547 1.00 0.00 N ATOM 802 CA THR A 53 9.979 9.985 -10.235 1.00 0.00 C ATOM 803 C THR A 53 8.618 10.601 -9.898 1.00 0.00 C ATOM 804 O THR A 53 8.555 11.621 -9.228 1.00 0.00 O ATOM 805 CB THR A 53 10.606 10.729 -11.424 1.00 0.00 C ATOM 806 OG1 THR A 53 12.007 10.499 -11.434 1.00 0.00 O ATOM 807 CG2 THR A 53 10.339 12.237 -11.308 1.00 0.00 C ATOM 0 H THR A 53 10.221 8.302 -11.472 1.00 0.00 H new ATOM 0 HA THR A 53 10.612 10.086 -9.353 1.00 0.00 H new ATOM 0 HB THR A 53 10.162 10.361 -12.349 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.411 10.971 -12.192 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.789 12.752 -12.157 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.264 12.417 -11.302 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.775 12.614 -10.383 1.00 0.00 H new ATOM 815 N ASP A 54 7.542 10.005 -10.370 1.00 0.00 N ATOM 816 CA ASP A 54 6.216 10.552 -10.102 1.00 0.00 C ATOM 817 C ASP A 54 5.787 10.267 -8.665 1.00 0.00 C ATOM 818 O ASP A 54 5.030 11.029 -8.064 1.00 0.00 O ATOM 819 CB ASP A 54 5.202 9.941 -11.062 1.00 0.00 C ATOM 820 CG ASP A 54 3.839 10.599 -10.870 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.234 10.372 -9.835 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.423 11.321 -11.760 1.00 0.00 O ATOM 0 H ASP A 54 7.551 9.155 -10.933 1.00 0.00 H new ATOM 0 HA ASP A 54 6.258 11.632 -10.245 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.537 10.073 -12.091 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.125 8.868 -10.888 1.00 0.00 H new ATOM 827 N LEU A 55 6.239 9.137 -8.143 1.00 0.00 N ATOM 828 CA LEU A 55 5.871 8.713 -6.790 1.00 0.00 C ATOM 829 C LEU A 55 6.400 9.665 -5.712 1.00 0.00 C ATOM 830 O LEU A 55 5.617 10.299 -5.007 1.00 0.00 O ATOM 831 CB LEU A 55 6.406 7.301 -6.509 1.00 0.00 C ATOM 832 CG LEU A 55 5.689 6.258 -7.391 1.00 0.00 C ATOM 833 CD1 LEU A 55 5.951 6.550 -8.871 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.221 4.859 -7.042 1.00 0.00 C ATOM 0 H LEU A 55 6.862 8.493 -8.631 1.00 0.00 H new ATOM 0 HA LEU A 55 4.782 8.723 -6.747 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.479 7.269 -6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.262 7.055 -5.457 1.00 0.00 H new ATOM 0 HG LEU A 55 4.616 6.306 -7.208 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.440 5.808 -9.484 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.577 7.544 -9.118 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.022 6.507 -9.066 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.720 4.114 -7.661 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.295 4.821 -7.227 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.026 4.648 -5.991 1.00 0.00 H new ATOM 846 N LYS A 56 7.724 9.739 -5.562 1.00 0.00 N ATOM 847 CA LYS A 56 8.328 10.592 -4.526 1.00 0.00 C ATOM 848 C LYS A 56 7.837 12.038 -4.589 1.00 0.00 C ATOM 849 O LYS A 56 7.674 12.686 -3.556 1.00 0.00 O ATOM 850 CB LYS A 56 9.852 10.583 -4.659 1.00 0.00 C ATOM 851 CG LYS A 56 10.467 11.520 -3.615 1.00 0.00 C ATOM 852 CD LYS A 56 11.962 11.220 -3.445 1.00 0.00 C ATOM 853 CE LYS A 56 12.630 11.091 -4.816 1.00 0.00 C ATOM 854 NZ LYS A 56 14.109 11.200 -4.662 1.00 0.00 N ATOM 0 H LYS A 56 8.395 9.227 -6.135 1.00 0.00 H new ATOM 0 HA LYS A 56 8.023 10.176 -3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.233 9.571 -4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.141 10.900 -5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.330 12.557 -3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.954 11.399 -2.661 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.438 12.016 -2.873 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.094 10.298 -2.879 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.371 10.135 -5.270 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.265 11.871 -5.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.562 11.112 -5.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.348 12.123 -4.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.450 10.441 -4.038 1.00 0.00 H new ATOM 868 N ILE A 57 7.612 12.543 -5.792 1.00 0.00 N ATOM 869 CA ILE A 57 7.151 13.919 -5.951 1.00 0.00 C ATOM 870 C ILE A 57 5.652 13.995 -5.674 1.00 0.00 C ATOM 871 O ILE A 57 5.105 15.066 -5.422 1.00 0.00 O ATOM 872 CB ILE A 57 7.473 14.423 -7.371 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.541 13.749 -8.389 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.929 14.073 -7.696 1.00 0.00 C ATOM 875 CD1 ILE A 57 6.906 14.169 -9.818 1.00 0.00 C ATOM 0 H ILE A 57 7.738 12.030 -6.665 1.00 0.00 H new ATOM 0 HA ILE A 57 7.669 14.559 -5.237 1.00 0.00 H new ATOM 0 HB ILE A 57 7.327 15.502 -7.422 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.612 12.666 -8.293 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.507 14.020 -8.178 1.00 0.00 H new ATOM 0 HG21 ILE A 57 9.172 14.424 -8.699 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.589 14.554 -6.974 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.063 12.992 -7.647 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.234 13.681 -10.524 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.810 15.250 -9.915 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.933 13.875 -10.032 1.00 0.00 H new ATOM 887 N GLY A 58 4.996 12.839 -5.743 1.00 0.00 N ATOM 888 CA GLY A 58 3.556 12.759 -5.517 1.00 0.00 C ATOM 889 C GLY A 58 3.183 13.103 -4.078 1.00 0.00 C ATOM 890 O GLY A 58 2.180 13.774 -3.836 1.00 0.00 O ATOM 0 H GLY A 58 5.439 11.945 -5.954 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.044 13.440 -6.197 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.208 11.753 -5.751 1.00 0.00 H new ATOM 894 N LEU A 59 3.984 12.641 -3.121 1.00 0.00 N ATOM 895 CA LEU A 59 3.701 12.919 -1.718 1.00 0.00 C ATOM 896 C LEU A 59 4.071 14.355 -1.380 1.00 0.00 C ATOM 897 O LEU A 59 3.245 15.106 -0.863 1.00 0.00 O ATOM 898 CB LEU A 59 4.471 11.963 -0.797 1.00 0.00 C ATOM 899 CG LEU A 59 4.132 10.492 -1.117 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.610 10.278 -1.095 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.699 10.092 -2.495 1.00 0.00 C ATOM 0 H LEU A 59 4.820 12.082 -3.288 1.00 0.00 H new ATOM 0 HA LEU A 59 2.633 12.771 -1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.543 12.126 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.226 12.178 0.243 1.00 0.00 H new ATOM 0 HG LEU A 59 4.590 9.862 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.386 9.236 -1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.222 10.525 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.141 10.921 -1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.450 9.051 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.266 10.730 -3.266 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.782 10.212 -2.491 1.00 0.00 H new ATOM 913 N ALA A 60 5.304 14.747 -1.686 1.00 0.00 N ATOM 914 CA ALA A 60 5.732 16.109 -1.412 1.00 0.00 C ATOM 915 C ALA A 60 5.018 17.061 -2.359 1.00 0.00 C ATOM 916 O ALA A 60 4.643 18.169 -1.975 1.00 0.00 O ATOM 917 CB ALA A 60 7.246 16.233 -1.597 1.00 0.00 C ATOM 0 H ALA A 60 6.011 14.151 -2.116 1.00 0.00 H new ATOM 0 HA ALA A 60 5.483 16.363 -0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.555 17.257 -1.389 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.753 15.555 -0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.509 15.976 -2.623 1.00 0.00 H new ATOM 923 N GLY A 61 4.825 16.612 -3.601 1.00 0.00 N ATOM 924 CA GLY A 61 4.140 17.424 -4.610 1.00 0.00 C ATOM 925 C GLY A 61 5.043 17.694 -5.807 1.00 0.00 C ATOM 926 O GLY A 61 4.663 17.436 -6.948 1.00 0.00 O ATOM 0 H GLY A 61 5.131 15.697 -3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.237 16.911 -4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.826 18.369 -4.168 1.00 0.00 H new ATOM 930 N SER A 62 6.239 18.219 -5.544 1.00 0.00 N ATOM 931 CA SER A 62 7.186 18.523 -6.621 1.00 0.00 C ATOM 932 C SER A 62 8.600 18.104 -6.235 1.00 0.00 C ATOM 933 O SER A 62 8.978 18.153 -5.065 1.00 0.00 O ATOM 934 CB SER A 62 7.154 20.024 -6.932 1.00 0.00 C ATOM 935 OG SER A 62 7.593 20.232 -8.269 1.00 0.00 O ATOM 0 H SER A 62 6.574 18.441 -4.607 1.00 0.00 H new ATOM 0 HA SER A 62 6.891 17.962 -7.508 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.144 20.413 -6.803 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.796 20.566 -6.237 1.00 0.00 H new ATOM 0 HG SER A 62 7.573 21.190 -8.475 1.00 0.00 H new ATOM 941 N GLU A 63 9.374 17.691 -7.233 1.00 0.00 N ATOM 942 CA GLU A 63 10.744 17.260 -7.004 1.00 0.00 C ATOM 943 C GLU A 63 11.587 18.377 -6.395 1.00 0.00 C ATOM 944 O GLU A 63 12.803 18.244 -6.265 1.00 0.00 O ATOM 945 CB GLU A 63 11.376 16.810 -8.324 1.00 0.00 C ATOM 946 CG GLU A 63 11.317 17.956 -9.336 1.00 0.00 C ATOM 947 CD GLU A 63 11.660 17.436 -10.727 1.00 0.00 C ATOM 948 OE1 GLU A 63 11.027 16.486 -11.156 1.00 0.00 O ATOM 949 OE2 GLU A 63 12.552 17.996 -11.344 1.00 0.00 O ATOM 0 H GLU A 63 9.074 17.646 -8.207 1.00 0.00 H new ATOM 0 HA GLU A 63 10.718 16.428 -6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.411 16.509 -8.160 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.849 15.939 -8.714 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.321 18.399 -9.339 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.015 18.742 -9.050 1.00 0.00 H new ATOM 956 N GLU A 64 10.942 19.479 -6.027 1.00 0.00 N ATOM 957 CA GLU A 64 11.651 20.607 -5.440 1.00 0.00 C ATOM 958 C GLU A 64 11.907 20.391 -3.950 1.00 0.00 C ATOM 959 O GLU A 64 13.034 20.547 -3.481 1.00 0.00 O ATOM 960 CB GLU A 64 10.834 21.888 -5.630 1.00 0.00 C ATOM 961 CG GLU A 64 10.590 22.127 -7.123 1.00 0.00 C ATOM 962 CD GLU A 64 11.860 22.654 -7.782 1.00 0.00 C ATOM 963 OE1 GLU A 64 12.844 22.820 -7.080 1.00 0.00 O ATOM 964 OE2 GLU A 64 11.830 22.888 -8.979 1.00 0.00 O ATOM 0 H GLU A 64 9.936 19.614 -6.125 1.00 0.00 H new ATOM 0 HA GLU A 64 12.613 20.697 -5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.883 21.805 -5.105 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.364 22.737 -5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.280 21.198 -7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.778 22.841 -7.257 1.00 0.00 H new ATOM 971 N ASP A 65 10.849 20.076 -3.199 1.00 0.00 N ATOM 972 CA ASP A 65 10.966 19.892 -1.748 1.00 0.00 C ATOM 973 C ASP A 65 11.118 18.427 -1.336 1.00 0.00 C ATOM 974 O ASP A 65 11.348 18.142 -0.161 1.00 0.00 O ATOM 975 CB ASP A 65 9.720 20.470 -1.072 1.00 0.00 C ATOM 976 CG ASP A 65 9.756 21.994 -1.126 1.00 0.00 C ATOM 977 OD1 ASP A 65 9.666 22.531 -2.218 1.00 0.00 O ATOM 978 OD2 ASP A 65 9.870 22.602 -0.074 1.00 0.00 O ATOM 0 H ASP A 65 9.907 19.943 -3.567 1.00 0.00 H new ATOM 0 HA ASP A 65 11.871 20.410 -1.431 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.823 20.101 -1.569 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.670 20.136 -0.036 1.00 0.00 H new ATOM 983 N VAL A 66 10.982 17.494 -2.272 1.00 0.00 N ATOM 984 CA VAL A 66 11.105 16.083 -1.910 1.00 0.00 C ATOM 985 C VAL A 66 12.343 15.851 -1.046 1.00 0.00 C ATOM 986 O VAL A 66 12.354 14.964 -0.192 1.00 0.00 O ATOM 987 CB VAL A 66 11.176 15.193 -3.150 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.808 15.131 -3.820 1.00 0.00 C ATOM 989 CG2 VAL A 66 12.185 15.752 -4.147 1.00 0.00 C ATOM 0 H VAL A 66 10.793 17.677 -3.257 1.00 0.00 H new ATOM 0 HA VAL A 66 10.214 15.817 -1.341 1.00 0.00 H new ATOM 0 HB VAL A 66 11.486 14.195 -2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.864 14.495 -4.704 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.079 14.719 -3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.501 16.135 -4.114 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.224 15.107 -5.025 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.883 16.755 -4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 66 13.170 15.794 -3.683 1.00 0.00 H new ATOM 999 N ASP A 67 13.382 16.648 -1.268 1.00 0.00 N ATOM 1000 CA ASP A 67 14.610 16.509 -0.495 1.00 0.00 C ATOM 1001 C ASP A 67 14.299 16.532 0.998 1.00 0.00 C ATOM 1002 O ASP A 67 14.965 15.868 1.793 1.00 0.00 O ATOM 1003 CB ASP A 67 15.580 17.640 -0.838 1.00 0.00 C ATOM 1004 CG ASP A 67 16.892 17.442 -0.087 1.00 0.00 C ATOM 1005 OD1 ASP A 67 17.602 16.505 -0.411 1.00 0.00 O ATOM 1006 OD2 ASP A 67 17.167 18.230 0.803 1.00 0.00 O ATOM 0 H ASP A 67 13.399 17.389 -1.969 1.00 0.00 H new ATOM 0 HA ASP A 67 15.072 15.555 -0.747 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.765 17.660 -1.912 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.140 18.601 -0.573 1.00 0.00 H new ATOM 1011 N MET A 68 13.280 17.299 1.370 1.00 0.00 N ATOM 1012 CA MET A 68 12.880 17.403 2.770 1.00 0.00 C ATOM 1013 C MET A 68 12.023 16.204 3.169 1.00 0.00 C ATOM 1014 O MET A 68 11.902 15.880 4.351 1.00 0.00 O ATOM 1015 CB MET A 68 12.090 18.695 2.995 1.00 0.00 C ATOM 1016 CG MET A 68 12.791 19.855 2.284 1.00 0.00 C ATOM 1017 SD MET A 68 11.878 21.388 2.590 1.00 0.00 S ATOM 1018 CE MET A 68 13.228 22.535 2.218 1.00 0.00 C ATOM 0 H MET A 68 12.718 17.856 0.726 1.00 0.00 H new ATOM 0 HA MET A 68 13.779 17.417 3.386 1.00 0.00 H new ATOM 0 HB2 MET A 68 11.074 18.583 2.616 1.00 0.00 H new ATOM 0 HB3 MET A 68 12.011 18.904 4.062 1.00 0.00 H new ATOM 0 HG2 MET A 68 13.815 19.951 2.644 1.00 0.00 H new ATOM 0 HG3 MET A 68 12.846 19.659 1.213 1.00 0.00 H new ATOM 0 HE1 MET A 68 12.880 23.560 2.345 1.00 0.00 H new ATOM 0 HE2 MET A 68 14.061 22.348 2.895 1.00 0.00 H new ATOM 0 HE3 MET A 68 13.557 22.388 1.189 1.00 0.00 H new ATOM 1028 N LEU A 69 11.431 15.548 2.174 1.00 0.00 N ATOM 1029 CA LEU A 69 10.587 14.386 2.432 1.00 0.00 C ATOM 1030 C LEU A 69 11.416 13.240 3.005 1.00 0.00 C ATOM 1031 O LEU A 69 12.388 12.795 2.391 1.00 0.00 O ATOM 1032 CB LEU A 69 9.907 13.941 1.133 1.00 0.00 C ATOM 1033 CG LEU A 69 8.799 12.917 1.434 1.00 0.00 C ATOM 1034 CD1 LEU A 69 7.637 13.583 2.199 1.00 0.00 C ATOM 1035 CD2 LEU A 69 8.285 12.336 0.110 1.00 0.00 C ATOM 0 H LEU A 69 11.519 15.799 1.189 1.00 0.00 H new ATOM 0 HA LEU A 69 9.825 14.661 3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.484 14.805 0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.644 13.502 0.460 1.00 0.00 H new ATOM 0 HG LEU A 69 9.207 12.121 2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.864 12.842 2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.007 13.990 3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.218 14.388 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.499 11.609 0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.885 13.139 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.105 11.847 -0.415 1.00 0.00 H new ATOM 1047 N ASP A 70 11.031 12.773 4.188 1.00 0.00 N ATOM 1048 CA ASP A 70 11.748 11.686 4.849 1.00 0.00 C ATOM 1049 C ASP A 70 12.026 10.535 3.883 1.00 0.00 C ATOM 1050 O ASP A 70 12.919 9.722 4.121 1.00 0.00 O ATOM 1051 CB ASP A 70 10.933 11.173 6.038 1.00 0.00 C ATOM 1052 CG ASP A 70 10.980 12.187 7.176 1.00 0.00 C ATOM 1053 OD1 ASP A 70 12.067 12.649 7.485 1.00 0.00 O ATOM 1054 OD2 ASP A 70 9.932 12.486 7.722 1.00 0.00 O ATOM 0 H ASP A 70 10.229 13.128 4.708 1.00 0.00 H new ATOM 0 HA ASP A 70 12.704 12.077 5.198 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.900 11.001 5.735 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.330 10.216 6.376 1.00 0.00 H new ATOM 1059 N THR A 71 11.268 10.467 2.795 1.00 0.00 N ATOM 1060 CA THR A 71 11.466 9.403 1.818 1.00 0.00 C ATOM 1061 C THR A 71 12.909 9.449 1.294 1.00 0.00 C ATOM 1062 O THR A 71 13.347 10.491 0.808 1.00 0.00 O ATOM 1063 CB THR A 71 10.483 9.571 0.651 1.00 0.00 C ATOM 1064 OG1 THR A 71 9.206 9.928 1.160 1.00 0.00 O ATOM 1065 CG2 THR A 71 10.367 8.265 -0.141 1.00 0.00 C ATOM 0 H THR A 71 10.522 11.125 2.569 1.00 0.00 H new ATOM 0 HA THR A 71 11.285 8.440 2.296 1.00 0.00 H new ATOM 0 HB THR A 71 10.851 10.354 -0.012 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.508 9.587 0.562 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.666 8.400 -0.965 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.345 7.992 -0.537 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.007 7.472 0.515 1.00 0.00 H new ATOM 1073 N PRO A 72 13.666 8.373 1.382 1.00 0.00 N ATOM 1074 CA PRO A 72 15.077 8.371 0.901 1.00 0.00 C ATOM 1075 C PRO A 72 15.161 8.357 -0.624 1.00 0.00 C ATOM 1076 O PRO A 72 15.256 9.408 -1.257 1.00 0.00 O ATOM 1077 CB PRO A 72 15.669 7.092 1.513 1.00 0.00 C ATOM 1078 CG PRO A 72 14.505 6.168 1.689 1.00 0.00 C ATOM 1079 CD PRO A 72 13.278 7.055 1.933 1.00 0.00 C ATOM 0 HA PRO A 72 15.618 9.269 1.198 1.00 0.00 H new ATOM 0 HB2 PRO A 72 16.424 6.655 0.859 1.00 0.00 H new ATOM 0 HB3 PRO A 72 16.155 7.300 2.466 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.365 5.547 0.804 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.669 5.493 2.529 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.395 6.659 1.432 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.040 7.122 2.995 1.00 0.00 H new ATOM 1087 N MET A 73 15.128 7.162 -1.201 1.00 0.00 N ATOM 1088 CA MET A 73 15.207 7.023 -2.651 1.00 0.00 C ATOM 1089 C MET A 73 14.991 5.574 -3.075 1.00 0.00 C ATOM 1090 O MET A 73 14.525 5.303 -4.181 1.00 0.00 O ATOM 1091 CB MET A 73 16.582 7.484 -3.138 1.00 0.00 C ATOM 1092 CG MET A 73 17.651 6.493 -2.668 1.00 0.00 C ATOM 1093 SD MET A 73 19.286 7.254 -2.804 1.00 0.00 S ATOM 1094 CE MET A 73 20.254 5.755 -2.503 1.00 0.00 C ATOM 0 H MET A 73 15.048 6.281 -0.693 1.00 0.00 H new ATOM 0 HA MET A 73 14.424 7.639 -3.094 1.00 0.00 H new ATOM 0 HB2 MET A 73 16.589 7.554 -4.226 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.800 8.480 -2.753 1.00 0.00 H new ATOM 0 HG2 MET A 73 17.460 6.199 -1.636 1.00 0.00 H new ATOM 0 HG3 MET A 73 17.610 5.586 -3.270 1.00 0.00 H new ATOM 0 HE1 MET A 73 21.317 5.994 -2.541 1.00 0.00 H new ATOM 0 HE2 MET A 73 20.008 5.354 -1.520 1.00 0.00 H new ATOM 0 HE3 MET A 73 20.022 5.012 -3.266 1.00 0.00 H new ATOM 1104 N SER A 74 15.340 4.643 -2.194 1.00 0.00 N ATOM 1105 CA SER A 74 15.184 3.225 -2.489 1.00 0.00 C ATOM 1106 C SER A 74 13.779 2.772 -2.131 1.00 0.00 C ATOM 1107 O SER A 74 13.317 1.728 -2.591 1.00 0.00 O ATOM 1108 CB SER A 74 16.203 2.412 -1.692 1.00 0.00 C ATOM 1109 OG SER A 74 17.516 2.804 -2.071 1.00 0.00 O ATOM 0 H SER A 74 15.731 4.844 -1.274 1.00 0.00 H new ATOM 0 HA SER A 74 15.352 3.066 -3.554 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.057 2.572 -0.624 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.061 1.347 -1.877 1.00 0.00 H new ATOM 0 HG SER A 74 18.172 2.286 -1.560 1.00 0.00 H new ATOM 1115 N ALA A 75 13.099 3.567 -1.311 1.00 0.00 N ATOM 1116 CA ALA A 75 11.747 3.240 -0.906 1.00 0.00 C ATOM 1117 C ALA A 75 10.834 3.206 -2.123 1.00 0.00 C ATOM 1118 O ALA A 75 9.918 2.389 -2.204 1.00 0.00 O ATOM 1119 CB ALA A 75 11.250 4.277 0.093 1.00 0.00 C ATOM 0 H ALA A 75 13.464 4.435 -0.919 1.00 0.00 H new ATOM 0 HA ALA A 75 11.739 2.257 -0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.233 4.031 0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.900 4.280 0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.261 5.263 -0.371 1.00 0.00 H new ATOM 1125 N LEU A 76 11.091 4.094 -3.077 1.00 0.00 N ATOM 1126 CA LEU A 76 10.279 4.124 -4.284 1.00 0.00 C ATOM 1127 C LEU A 76 10.515 2.848 -5.071 1.00 0.00 C ATOM 1128 O LEU A 76 9.575 2.145 -5.442 1.00 0.00 O ATOM 1129 CB LEU A 76 10.631 5.315 -5.184 1.00 0.00 C ATOM 1130 CG LEU A 76 10.554 6.674 -4.443 1.00 0.00 C ATOM 1131 CD1 LEU A 76 9.419 6.688 -3.416 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.879 6.996 -3.734 1.00 0.00 C ATOM 0 H LEU A 76 11.838 4.787 -3.040 1.00 0.00 H new ATOM 0 HA LEU A 76 9.237 4.218 -3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.637 5.180 -5.580 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.952 5.333 -6.037 1.00 0.00 H new ATOM 0 HG LEU A 76 10.357 7.434 -5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.394 7.656 -2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.469 6.516 -3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.585 5.902 -2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.795 7.955 -3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 76 12.101 6.216 -3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.682 7.046 -4.469 1.00 0.00 H new ATOM 1144 N LYS A 77 11.787 2.554 -5.317 1.00 0.00 N ATOM 1145 CA LYS A 77 12.149 1.358 -6.055 1.00 0.00 C ATOM 1146 C LYS A 77 11.552 0.141 -5.348 1.00 0.00 C ATOM 1147 O LYS A 77 11.184 -0.846 -5.987 1.00 0.00 O ATOM 1148 CB LYS A 77 13.689 1.235 -6.147 1.00 0.00 C ATOM 1149 CG LYS A 77 14.210 1.839 -7.469 1.00 0.00 C ATOM 1150 CD LYS A 77 14.023 3.370 -7.479 1.00 0.00 C ATOM 1151 CE LYS A 77 15.219 4.056 -6.808 1.00 0.00 C ATOM 1152 NZ LYS A 77 16.463 3.735 -7.561 1.00 0.00 N ATOM 0 H LYS A 77 12.577 3.125 -5.017 1.00 0.00 H new ATOM 0 HA LYS A 77 11.754 1.415 -7.069 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.150 1.746 -5.302 1.00 0.00 H new ATOM 0 HB3 LYS A 77 13.979 0.186 -6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.265 1.596 -7.595 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.678 1.397 -8.311 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.920 3.724 -8.505 1.00 0.00 H new ATOM 0 HD3 LYS A 77 13.103 3.634 -6.957 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.065 5.135 -6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 77 15.310 3.722 -5.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 16.940 4.617 -7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 17.098 3.172 -6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 16.222 3.191 -8.414 1.00 0.00 H new ATOM 1166 N ASP A 78 11.456 0.226 -4.022 1.00 0.00 N ATOM 1167 CA ASP A 78 10.901 -0.859 -3.233 1.00 0.00 C ATOM 1168 C ASP A 78 9.402 -0.977 -3.492 1.00 0.00 C ATOM 1169 O ASP A 78 8.909 -2.040 -3.867 1.00 0.00 O ATOM 1170 CB ASP A 78 11.162 -0.600 -1.745 1.00 0.00 C ATOM 1171 CG ASP A 78 12.637 -0.827 -1.431 1.00 0.00 C ATOM 1172 OD1 ASP A 78 13.433 -0.778 -2.353 1.00 0.00 O ATOM 1173 OD2 ASP A 78 12.949 -1.043 -0.271 1.00 0.00 O ATOM 0 H ASP A 78 11.756 1.035 -3.478 1.00 0.00 H new ATOM 0 HA ASP A 78 11.380 -1.795 -3.520 1.00 0.00 H new ATOM 0 HB2 ASP A 78 10.880 0.421 -1.489 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.545 -1.263 -1.138 1.00 0.00 H new ATOM 1178 N ALA A 79 8.682 0.123 -3.285 1.00 0.00 N ATOM 1179 CA ALA A 79 7.239 0.133 -3.494 1.00 0.00 C ATOM 1180 C ALA A 79 6.887 -0.042 -4.972 1.00 0.00 C ATOM 1181 O ALA A 79 6.212 -1.005 -5.338 1.00 0.00 O ATOM 1182 CB ALA A 79 6.652 1.451 -2.984 1.00 0.00 C ATOM 0 H ALA A 79 9.072 1.013 -2.975 1.00 0.00 H new ATOM 0 HA ALA A 79 6.814 -0.704 -2.940 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.574 1.454 -3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.863 1.556 -1.920 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.101 2.283 -3.526 1.00 0.00 H new ATOM 1188 N VAL A 80 7.322 0.907 -5.811 1.00 0.00 N ATOM 1189 CA VAL A 80 7.023 0.863 -7.250 1.00 0.00 C ATOM 1190 C VAL A 80 7.006 -0.573 -7.771 1.00 0.00 C ATOM 1191 O VAL A 80 6.315 -0.888 -8.739 1.00 0.00 O ATOM 1192 CB VAL A 80 8.038 1.705 -8.033 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.310 0.897 -8.317 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.416 2.149 -9.366 1.00 0.00 C ATOM 0 H VAL A 80 7.879 1.711 -5.521 1.00 0.00 H new ATOM 0 HA VAL A 80 6.028 1.284 -7.398 1.00 0.00 H new ATOM 0 HB VAL A 80 8.300 2.576 -7.433 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.016 1.514 -8.873 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.762 0.587 -7.375 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.057 0.015 -8.905 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.137 2.747 -9.923 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.145 1.270 -9.951 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.524 2.745 -9.171 1.00 0.00 H new ATOM 1204 N ARG A 81 7.771 -1.430 -7.110 1.00 0.00 N ATOM 1205 CA ARG A 81 7.844 -2.834 -7.494 1.00 0.00 C ATOM 1206 C ARG A 81 6.588 -3.568 -7.041 1.00 0.00 C ATOM 1207 O ARG A 81 5.865 -4.156 -7.844 1.00 0.00 O ATOM 1208 CB ARG A 81 9.069 -3.496 -6.852 1.00 0.00 C ATOM 1209 CG ARG A 81 9.262 -4.902 -7.437 1.00 0.00 C ATOM 1210 CD ARG A 81 10.333 -5.657 -6.645 1.00 0.00 C ATOM 1211 NE ARG A 81 11.664 -5.184 -7.018 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.333 -5.722 -8.036 1.00 0.00 C ATOM 1213 NH1 ARG A 81 11.801 -6.691 -8.730 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.519 -5.277 -8.344 1.00 0.00 N ATOM 0 H ARG A 81 8.349 -1.180 -6.307 1.00 0.00 H new ATOM 0 HA ARG A 81 7.928 -2.889 -8.579 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.958 -2.891 -7.032 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.938 -3.556 -5.772 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.320 -5.450 -7.405 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.555 -4.832 -8.485 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.174 -5.513 -5.576 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.252 -6.727 -6.838 1.00 0.00 H new ATOM 0 HE ARG A 81 12.090 -4.425 -6.487 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.871 -7.037 -8.493 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.315 -7.102 -9.509 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.934 -4.517 -7.805 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.032 -5.689 -9.124 1.00 0.00 H new ATOM 1228 N ILE A 82 6.364 -3.545 -5.734 1.00 0.00 N ATOM 1229 CA ILE A 82 5.226 -4.224 -5.136 1.00 0.00 C ATOM 1230 C ILE A 82 3.913 -3.963 -5.895 1.00 0.00 C ATOM 1231 O ILE A 82 3.120 -4.889 -6.069 1.00 0.00 O ATOM 1232 CB ILE A 82 5.102 -3.809 -3.658 1.00 0.00 C ATOM 1233 CG1 ILE A 82 6.181 -4.525 -2.835 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.721 -4.189 -3.116 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.242 -3.919 -1.433 1.00 0.00 C ATOM 0 H ILE A 82 6.961 -3.059 -5.065 1.00 0.00 H new ATOM 0 HA ILE A 82 5.405 -5.297 -5.201 1.00 0.00 H new ATOM 0 HB ILE A 82 5.231 -2.729 -3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.958 -5.590 -2.772 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.150 -4.430 -3.326 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.646 -3.890 -2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.950 -3.680 -3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.583 -5.267 -3.196 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.009 -4.428 -0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.485 -2.859 -1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.275 -4.037 -0.943 1.00 0.00 H new ATOM 1247 N LEU A 83 3.667 -2.731 -6.356 1.00 0.00 N ATOM 1248 CA LEU A 83 2.419 -2.472 -7.090 1.00 0.00 C ATOM 1249 C LEU A 83 2.566 -2.950 -8.529 1.00 0.00 C ATOM 1250 O LEU A 83 1.599 -3.407 -9.141 1.00 0.00 O ATOM 1251 CB LEU A 83 1.968 -0.975 -7.088 1.00 0.00 C ATOM 1252 CG LEU A 83 2.645 -0.128 -5.990 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.783 -0.891 -4.661 1.00 0.00 C ATOM 1254 CD2 LEU A 83 3.995 0.349 -6.485 1.00 0.00 C ATOM 0 H LEU A 83 4.285 -1.927 -6.242 1.00 0.00 H new ATOM 0 HA LEU A 83 1.641 -3.026 -6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.188 -0.536 -8.061 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.887 -0.930 -6.955 1.00 0.00 H new ATOM 0 HG LEU A 83 2.007 0.731 -5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.265 -0.251 -3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.795 -1.178 -4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.387 -1.785 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.475 0.948 -5.711 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.621 -0.512 -6.719 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.861 0.955 -7.381 1.00 0.00 H new ATOM 1266 N TRP A 84 3.777 -2.848 -9.068 1.00 0.00 N ATOM 1267 CA TRP A 84 4.017 -3.284 -10.444 1.00 0.00 C ATOM 1268 C TRP A 84 3.504 -4.715 -10.631 1.00 0.00 C ATOM 1269 O TRP A 84 3.243 -5.151 -11.753 1.00 0.00 O ATOM 1270 CB TRP A 84 5.535 -3.213 -10.753 1.00 0.00 C ATOM 1271 CG TRP A 84 5.830 -2.195 -11.817 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.669 -2.389 -12.859 1.00 0.00 C ATOM 1273 CD2 TRP A 84 5.315 -0.839 -11.954 1.00 0.00 C ATOM 1274 NE1 TRP A 84 6.702 -1.239 -13.627 1.00 0.00 N ATOM 1275 CE2 TRP A 84 5.884 -0.256 -13.110 1.00 0.00 C ATOM 1276 CE3 TRP A 84 4.418 -0.066 -11.196 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 5.576 1.047 -13.501 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 4.104 1.245 -11.588 1.00 0.00 C ATOM 1279 CH2 TRP A 84 4.684 1.800 -12.737 1.00 0.00 C ATOM 0 H TRP A 84 4.595 -2.475 -8.586 1.00 0.00 H new ATOM 0 HA TRP A 84 3.484 -2.628 -11.132 1.00 0.00 H new ATOM 0 HB2 TRP A 84 6.082 -2.961 -9.844 1.00 0.00 H new ATOM 0 HB3 TRP A 84 5.888 -4.192 -11.076 1.00 0.00 H new ATOM 0 HD1 TRP A 84 7.223 -3.294 -13.059 1.00 0.00 H new ATOM 0 HE1 TRP A 84 7.263 -1.131 -14.472 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.968 -0.483 -10.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 6.024 1.470 -14.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 3.411 1.829 -11.001 1.00 0.00 H new ATOM 0 HH2 TRP A 84 4.440 2.810 -13.031 1.00 0.00 H new ATOM 1290 N GLY A 85 3.373 -5.439 -9.521 1.00 0.00 N ATOM 1291 CA GLY A 85 2.905 -6.822 -9.565 1.00 0.00 C ATOM 1292 C GLY A 85 4.085 -7.778 -9.700 1.00 0.00 C ATOM 1293 O GLY A 85 3.915 -8.948 -10.044 1.00 0.00 O ATOM 0 H GLY A 85 3.583 -5.093 -8.585 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.344 -7.052 -8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.223 -6.955 -10.405 1.00 0.00 H new ATOM 1297 N GLU A 86 5.284 -7.267 -9.422 1.00 0.00 N ATOM 1298 CA GLU A 86 6.506 -8.070 -9.507 1.00 0.00 C ATOM 1299 C GLU A 86 6.981 -8.444 -8.108 1.00 0.00 C ATOM 1300 O GLU A 86 7.987 -9.135 -7.948 1.00 0.00 O ATOM 1301 CB GLU A 86 7.605 -7.276 -10.221 1.00 0.00 C ATOM 1302 CG GLU A 86 7.117 -6.839 -11.607 1.00 0.00 C ATOM 1303 CD GLU A 86 7.161 -8.018 -12.574 1.00 0.00 C ATOM 1304 OE1 GLU A 86 8.224 -8.275 -13.114 1.00 0.00 O ATOM 1305 OE2 GLU A 86 6.132 -8.644 -12.762 1.00 0.00 O ATOM 0 H GLU A 86 5.436 -6.300 -9.136 1.00 0.00 H new ATOM 0 HA GLU A 86 6.291 -8.978 -10.071 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.877 -6.402 -9.629 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.502 -7.887 -10.318 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.100 -6.453 -11.538 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.741 -6.028 -11.982 1.00 0.00 H new ATOM 1312 N ALA A 87 6.249 -7.971 -7.099 1.00 0.00 N ATOM 1313 CA ALA A 87 6.588 -8.245 -5.703 1.00 0.00 C ATOM 1314 C ALA A 87 7.156 -9.658 -5.533 1.00 0.00 C ATOM 1315 O ALA A 87 8.041 -9.886 -4.709 1.00 0.00 O ATOM 1316 CB ALA A 87 5.331 -8.066 -4.830 1.00 0.00 C ATOM 0 H ALA A 87 5.416 -7.395 -7.223 1.00 0.00 H new ATOM 0 HA ALA A 87 7.358 -7.541 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.579 -8.269 -3.788 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.966 -7.043 -4.923 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.557 -8.759 -5.160 1.00 0.00 H new ATOM 1322 N GLU A 88 6.637 -10.598 -6.316 1.00 0.00 N ATOM 1323 CA GLU A 88 7.098 -11.979 -6.241 1.00 0.00 C ATOM 1324 C GLU A 88 8.624 -12.039 -6.252 1.00 0.00 C ATOM 1325 O GLU A 88 9.250 -12.314 -5.228 1.00 0.00 O ATOM 1326 CB GLU A 88 6.545 -12.781 -7.423 1.00 0.00 C ATOM 1327 CG GLU A 88 5.018 -12.686 -7.435 1.00 0.00 C ATOM 1328 CD GLU A 88 4.461 -13.405 -8.660 1.00 0.00 C ATOM 1329 OE1 GLU A 88 4.782 -12.992 -9.762 1.00 0.00 O ATOM 1330 OE2 GLU A 88 3.722 -14.358 -8.477 1.00 0.00 O ATOM 0 H GLU A 88 5.903 -10.431 -7.004 1.00 0.00 H new ATOM 0 HA GLU A 88 6.736 -12.411 -5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.951 -12.397 -8.359 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.854 -13.823 -7.345 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.611 -13.129 -6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.710 -11.640 -7.445 1.00 0.00 H new