USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, 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 NoAdj-H: A 14 ARGHH11 : A 14 ARG NH1 : A 82 ILE C :(H bumps) USER MOD Set 1.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 71 THR OG1 : rot -117:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.61 USER MOD Single : A 29 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.45) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 156:sc= -0.0391 (180deg=-0.349) USER MOD ----------------------------------------------------------------- ATOM 183 N LEU A 13 -3.760 -6.645 -2.035 1.00 0.00 N ATOM 184 CA LEU A 13 -3.152 -6.901 -0.713 1.00 0.00 C ATOM 185 C LEU A 13 -1.708 -6.393 -0.686 1.00 0.00 C ATOM 186 O LEU A 13 -1.183 -6.050 0.372 1.00 0.00 O ATOM 187 CB LEU A 13 -3.182 -8.417 -0.357 1.00 0.00 C ATOM 188 CG LEU A 13 -4.231 -9.165 -1.190 1.00 0.00 C ATOM 189 CD1 LEU A 13 -4.137 -10.662 -0.879 1.00 0.00 C ATOM 190 CD2 LEU A 13 -5.653 -8.660 -0.859 1.00 0.00 C ATOM 0 HA LEU A 13 -3.740 -6.364 0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.198 -8.853 -0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.402 -8.539 0.704 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.038 -8.986 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.879 -11.203 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.140 -11.024 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.325 -10.826 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.381 -9.204 -1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.861 -8.825 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.722 -7.595 -1.081 1.00 0.00 H new ATOM 202 N ARG A 14 -1.071 -6.360 -1.853 1.00 0.00 N ATOM 203 CA ARG A 14 0.314 -5.906 -1.950 1.00 0.00 C ATOM 204 C ARG A 14 0.393 -4.381 -1.986 1.00 0.00 C ATOM 205 O ARG A 14 1.442 -3.802 -1.708 1.00 0.00 O ATOM 206 CB ARG A 14 0.956 -6.491 -3.219 1.00 0.00 C ATOM 207 CG ARG A 14 2.370 -5.917 -3.426 1.00 0.00 C ATOM 208 CD ARG A 14 2.306 -4.515 -4.059 1.00 0.00 C ATOM 209 NE ARG A 14 1.410 -4.508 -5.221 1.00 0.00 N ATOM 210 CZ ARG A 14 1.851 -4.368 -6.476 1.00 0.00 C ATOM 211 NH1 ARG A 14 3.129 -4.255 -6.733 1.00 0.00 N ATOM 212 NH2 ARG A 14 0.994 -4.353 -7.460 1.00 0.00 N ATOM 0 H ARG A 14 -1.488 -6.640 -2.740 1.00 0.00 H new ATOM 0 HA ARG A 14 0.854 -6.252 -1.068 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.007 -7.577 -3.140 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.335 -6.263 -4.085 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.890 -5.865 -2.469 1.00 0.00 H new ATOM 0 HG3 ARG A 14 2.947 -6.584 -4.066 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.957 -3.793 -3.321 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.305 -4.202 -4.363 1.00 0.00 H new ATOM 0 HE ARG A 14 0.408 -4.614 -5.065 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.448 -4.149 -7.696 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.003 -4.448 -7.269 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.322 -4.247 -8.420 1.00 0.00 H new ATOM 226 N ILE A 15 -0.707 -3.732 -2.347 1.00 0.00 N ATOM 227 CA ILE A 15 -0.719 -2.274 -2.433 1.00 0.00 C ATOM 228 C ILE A 15 -0.458 -1.638 -1.070 1.00 0.00 C ATOM 229 O ILE A 15 0.013 -0.504 -0.986 1.00 0.00 O ATOM 230 CB ILE A 15 -2.071 -1.787 -2.972 1.00 0.00 C ATOM 231 CG1 ILE A 15 -2.538 -2.703 -4.109 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.934 -0.355 -3.494 1.00 0.00 C ATOM 233 CD1 ILE A 15 -1.424 -2.872 -5.149 1.00 0.00 C ATOM 0 H ILE A 15 -1.591 -4.183 -2.582 1.00 0.00 H new ATOM 0 HA ILE A 15 0.077 -1.974 -3.114 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.804 -1.810 -2.166 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.821 -3.676 -3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.426 -2.283 -4.582 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.896 -0.013 -3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.612 0.299 -2.683 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.196 -0.329 -4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.770 -3.525 -5.950 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.161 -1.898 -5.562 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.547 -3.313 -4.675 1.00 0.00 H new ATOM 245 N ALA A 16 -0.789 -2.361 -0.001 1.00 0.00 N ATOM 246 CA ALA A 16 -0.611 -1.846 1.352 1.00 0.00 C ATOM 247 C ALA A 16 0.741 -2.229 1.937 1.00 0.00 C ATOM 248 O ALA A 16 1.251 -1.546 2.821 1.00 0.00 O ATOM 249 CB ALA A 16 -1.738 -2.354 2.244 1.00 0.00 C ATOM 0 H ALA A 16 -1.180 -3.302 -0.047 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.642 -0.758 1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.604 -1.969 3.255 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.696 -2.014 1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.721 -3.444 2.266 1.00 0.00 H new ATOM 255 N LEU A 17 1.336 -3.297 1.440 1.00 0.00 N ATOM 256 CA LEU A 17 2.644 -3.697 1.941 1.00 0.00 C ATOM 257 C LEU A 17 3.647 -2.605 1.587 1.00 0.00 C ATOM 258 O LEU A 17 4.589 -2.337 2.332 1.00 0.00 O ATOM 259 CB LEU A 17 3.065 -5.045 1.324 1.00 0.00 C ATOM 260 CG LEU A 17 2.611 -6.224 2.213 1.00 0.00 C ATOM 261 CD1 LEU A 17 3.494 -6.327 3.473 1.00 0.00 C ATOM 262 CD2 LEU A 17 1.136 -6.040 2.626 1.00 0.00 C ATOM 0 H LEU A 17 0.949 -3.893 0.708 1.00 0.00 H new ATOM 0 HA LEU A 17 2.607 -3.826 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.630 -5.146 0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.148 -5.072 1.203 1.00 0.00 H new ATOM 0 HG LEU A 17 2.712 -7.145 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.158 -7.163 4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.531 -6.487 3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.418 -5.403 4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.826 -6.877 3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.028 -5.110 3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.510 -6.003 1.734 1.00 0.00 H new ATOM 274 N ALA A 18 3.419 -1.979 0.441 1.00 0.00 N ATOM 275 CA ALA A 18 4.281 -0.907 -0.027 1.00 0.00 C ATOM 276 C ALA A 18 4.391 0.188 1.029 1.00 0.00 C ATOM 277 O ALA A 18 5.486 0.663 1.321 1.00 0.00 O ATOM 278 CB ALA A 18 3.716 -0.344 -1.332 1.00 0.00 C ATOM 0 H ALA A 18 2.642 -2.197 -0.182 1.00 0.00 H new ATOM 0 HA ALA A 18 5.282 -1.298 -0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.358 0.461 -1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.674 -1.134 -2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.712 0.043 -1.157 1.00 0.00 H new ATOM 284 N ALA A 19 3.254 0.579 1.606 1.00 0.00 N ATOM 285 CA ALA A 19 3.265 1.616 2.642 1.00 0.00 C ATOM 286 C ALA A 19 4.421 1.357 3.606 1.00 0.00 C ATOM 287 O ALA A 19 5.070 2.287 4.084 1.00 0.00 O ATOM 288 CB ALA A 19 1.943 1.636 3.405 1.00 0.00 C ATOM 0 H ALA A 19 2.332 0.204 1.381 1.00 0.00 H new ATOM 0 HA ALA A 19 3.396 2.587 2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.975 2.413 4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.126 1.841 2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.782 0.668 3.880 1.00 0.00 H new ATOM 294 N ARG A 20 4.683 0.077 3.860 1.00 0.00 N ATOM 295 CA ARG A 20 5.776 -0.310 4.739 1.00 0.00 C ATOM 296 C ARG A 20 7.098 0.141 4.124 1.00 0.00 C ATOM 297 O ARG A 20 7.979 0.652 4.816 1.00 0.00 O ATOM 298 CB ARG A 20 5.773 -1.834 4.922 1.00 0.00 C ATOM 299 CG ARG A 20 6.591 -2.217 6.160 1.00 0.00 C ATOM 300 CD ARG A 20 6.924 -3.711 6.109 1.00 0.00 C ATOM 301 NE ARG A 20 7.640 -4.114 7.313 1.00 0.00 N ATOM 302 CZ ARG A 20 8.141 -5.338 7.432 1.00 0.00 C ATOM 303 NH1 ARG A 20 7.993 -6.200 6.464 1.00 0.00 N ATOM 304 NH2 ARG A 20 8.780 -5.679 8.517 1.00 0.00 N ATOM 0 H ARG A 20 4.155 -0.704 3.470 1.00 0.00 H new ATOM 0 HA ARG A 20 5.652 0.163 5.713 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.749 -2.193 5.027 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.190 -2.315 4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.509 -1.630 6.199 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.029 -1.989 7.066 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.006 -4.291 6.013 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.530 -3.925 5.229 1.00 0.00 H new ATOM 0 HE ARG A 20 7.758 -3.446 8.075 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.493 -5.934 5.616 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.378 -7.140 6.555 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.895 -5.005 9.274 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.165 -6.619 8.608 1.00 0.00 H new ATOM 318 N ALA A 21 7.217 -0.048 2.812 1.00 0.00 N ATOM 319 CA ALA A 21 8.418 0.340 2.082 1.00 0.00 C ATOM 320 C ALA A 21 8.631 1.841 2.142 1.00 0.00 C ATOM 321 O ALA A 21 9.658 2.346 1.689 1.00 0.00 O ATOM 322 CB ALA A 21 8.276 -0.054 0.614 1.00 0.00 C ATOM 0 H ALA A 21 6.492 -0.470 2.232 1.00 0.00 H new ATOM 0 HA ALA A 21 9.266 -0.168 2.542 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.175 0.237 0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.140 -1.133 0.538 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.412 0.452 0.183 1.00 0.00 H new ATOM 328 N LEU A 22 7.655 2.554 2.691 1.00 0.00 N ATOM 329 CA LEU A 22 7.731 4.008 2.795 1.00 0.00 C ATOM 330 C LEU A 22 7.659 4.426 4.273 1.00 0.00 C ATOM 331 O LEU A 22 6.606 4.285 4.894 1.00 0.00 O ATOM 332 CB LEU A 22 6.548 4.636 2.043 1.00 0.00 C ATOM 333 CG LEU A 22 6.288 3.914 0.704 1.00 0.00 C ATOM 334 CD1 LEU A 22 4.976 4.439 0.104 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.460 4.149 -0.276 1.00 0.00 C ATOM 0 H LEU A 22 6.800 2.149 3.072 1.00 0.00 H new ATOM 0 HA LEU A 22 8.671 4.349 2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.653 4.589 2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.751 5.691 1.857 1.00 0.00 H new ATOM 0 HG LEU A 22 6.208 2.841 0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.782 3.936 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.156 4.242 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.058 5.513 -0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.259 3.632 -1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.567 5.217 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.382 3.764 0.160 1.00 0.00 H new ATOM 347 N PRO A 23 8.728 4.922 4.859 1.00 0.00 N ATOM 348 CA PRO A 23 8.717 5.334 6.291 1.00 0.00 C ATOM 349 C PRO A 23 8.126 6.730 6.491 1.00 0.00 C ATOM 350 O PRO A 23 8.822 7.653 6.915 1.00 0.00 O ATOM 351 CB PRO A 23 10.200 5.292 6.671 1.00 0.00 C ATOM 352 CG PRO A 23 10.924 5.654 5.410 1.00 0.00 C ATOM 353 CD PRO A 23 10.054 5.150 4.246 1.00 0.00 C ATOM 0 HA PRO A 23 8.092 4.688 6.908 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.424 5.996 7.473 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.491 4.303 7.025 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.073 6.732 5.344 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.912 5.193 5.384 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.000 5.884 3.442 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.457 4.233 3.815 1.00 0.00 H new ATOM 361 N GLY A 24 6.836 6.877 6.190 1.00 0.00 N ATOM 362 CA GLY A 24 6.168 8.165 6.352 1.00 0.00 C ATOM 363 C GLY A 24 4.912 8.261 5.487 1.00 0.00 C ATOM 364 O GLY A 24 3.911 8.847 5.898 1.00 0.00 O ATOM 0 H GLY A 24 6.240 6.129 5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.901 8.308 7.399 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.856 8.968 6.086 1.00 0.00 H new ATOM 368 N THR A 25 4.975 7.696 4.285 1.00 0.00 N ATOM 369 CA THR A 25 3.838 7.739 3.367 1.00 0.00 C ATOM 370 C THR A 25 2.802 6.675 3.713 1.00 0.00 C ATOM 371 O THR A 25 3.145 5.541 4.047 1.00 0.00 O ATOM 372 CB THR A 25 4.317 7.517 1.934 1.00 0.00 C ATOM 373 OG1 THR A 25 5.413 8.379 1.661 1.00 0.00 O ATOM 374 CG2 THR A 25 3.180 7.808 0.956 1.00 0.00 C ATOM 0 H THR A 25 5.794 7.206 3.924 1.00 0.00 H new ATOM 0 HA THR A 25 3.374 8.721 3.461 1.00 0.00 H new ATOM 0 HB THR A 25 4.632 6.480 1.817 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.721 8.235 0.742 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.528 7.648 -0.064 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.343 7.141 1.163 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.857 8.843 1.071 1.00 0.00 H new ATOM 382 N THR A 26 1.530 7.053 3.618 1.00 0.00 N ATOM 383 CA THR A 26 0.434 6.148 3.904 1.00 0.00 C ATOM 384 C THR A 26 0.079 5.346 2.649 1.00 0.00 C ATOM 385 O THR A 26 0.522 5.673 1.548 1.00 0.00 O ATOM 386 CB THR A 26 -0.774 6.982 4.386 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.327 8.290 4.705 1.00 0.00 O ATOM 388 CG2 THR A 26 -1.393 6.361 5.633 1.00 0.00 C ATOM 0 H THR A 26 1.237 7.990 3.342 1.00 0.00 H new ATOM 0 HA THR A 26 0.719 5.441 4.683 1.00 0.00 H new ATOM 0 HB THR A 26 -1.523 7.009 3.594 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.086 8.830 5.011 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.242 6.963 5.956 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.731 5.350 5.406 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.649 6.325 6.429 1.00 0.00 H new ATOM 396 N VAL A 27 -0.713 4.297 2.826 1.00 0.00 N ATOM 397 CA VAL A 27 -1.110 3.453 1.705 1.00 0.00 C ATOM 398 C VAL A 27 -1.877 4.254 0.661 1.00 0.00 C ATOM 399 O VAL A 27 -1.470 4.334 -0.498 1.00 0.00 O ATOM 400 CB VAL A 27 -1.997 2.298 2.189 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.263 1.335 1.025 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.309 1.540 3.334 1.00 0.00 C ATOM 0 H VAL A 27 -1.092 4.011 3.729 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.199 3.057 1.256 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.940 2.706 2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.893 0.514 1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.769 1.868 0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.317 0.937 0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.950 0.724 3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.359 1.136 2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.129 2.222 4.165 1.00 0.00 H new ATOM 412 N GLY A 28 -2.999 4.823 1.075 1.00 0.00 N ATOM 413 CA GLY A 28 -3.834 5.592 0.164 1.00 0.00 C ATOM 414 C GLY A 28 -3.222 6.947 -0.178 1.00 0.00 C ATOM 415 O GLY A 28 -3.894 7.797 -0.762 1.00 0.00 O ATOM 0 H GLY A 28 -3.351 4.768 2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.987 5.023 -0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.816 5.742 0.613 1.00 0.00 H new ATOM 419 N GLN A 29 -1.950 7.161 0.174 1.00 0.00 N ATOM 420 CA GLN A 29 -1.297 8.440 -0.129 1.00 0.00 C ATOM 421 C GLN A 29 -0.444 8.313 -1.384 1.00 0.00 C ATOM 422 O GLN A 29 -0.069 9.315 -1.991 1.00 0.00 O ATOM 423 CB GLN A 29 -0.420 8.888 1.057 1.00 0.00 C ATOM 424 CG GLN A 29 -1.272 9.626 2.099 1.00 0.00 C ATOM 425 CD GLN A 29 -1.745 10.966 1.542 1.00 0.00 C ATOM 426 OE1 GLN A 29 -2.888 11.088 1.104 1.00 0.00 O ATOM 427 NE2 GLN A 29 -0.928 11.984 1.534 1.00 0.00 N ATOM 0 H GLN A 29 -1.362 6.482 0.658 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.069 9.190 -0.300 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.056 8.021 1.514 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.378 9.540 0.702 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.132 9.015 2.375 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.690 9.786 3.007 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.019 11.881 1.898 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.237 12.883 1.164 1.00 0.00 H new ATOM 436 N LEU A 30 -0.135 7.078 -1.768 1.00 0.00 N ATOM 437 CA LEU A 30 0.687 6.836 -2.955 1.00 0.00 C ATOM 438 C LEU A 30 -0.191 6.619 -4.190 1.00 0.00 C ATOM 439 O LEU A 30 0.283 6.730 -5.319 1.00 0.00 O ATOM 440 CB LEU A 30 1.584 5.616 -2.704 1.00 0.00 C ATOM 441 CG LEU A 30 2.347 5.211 -3.975 1.00 0.00 C ATOM 442 CD1 LEU A 30 3.197 6.385 -4.474 1.00 0.00 C ATOM 443 CD2 LEU A 30 3.264 4.028 -3.648 1.00 0.00 C ATOM 0 H LEU A 30 -0.437 6.234 -1.281 1.00 0.00 H new ATOM 0 HA LEU A 30 1.311 7.710 -3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.294 5.842 -1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.975 4.779 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 30 1.634 4.932 -4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.734 6.088 -5.375 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.550 7.233 -4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.912 6.670 -3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.810 3.733 -4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.971 4.320 -2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.664 3.189 -3.296 1.00 0.00 H new ATOM 455 N LEU A 31 -1.469 6.306 -3.980 1.00 0.00 N ATOM 456 CA LEU A 31 -2.382 6.076 -5.100 1.00 0.00 C ATOM 457 C LEU A 31 -2.951 7.394 -5.628 1.00 0.00 C ATOM 458 O LEU A 31 -3.102 7.575 -6.836 1.00 0.00 O ATOM 459 CB LEU A 31 -3.533 5.171 -4.649 1.00 0.00 C ATOM 460 CG LEU A 31 -2.988 4.048 -3.762 1.00 0.00 C ATOM 461 CD1 LEU A 31 -4.126 3.096 -3.392 1.00 0.00 C ATOM 462 CD2 LEU A 31 -1.905 3.275 -4.519 1.00 0.00 C ATOM 0 H LEU A 31 -1.892 6.207 -3.057 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.822 5.595 -5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.274 5.754 -4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.039 4.749 -5.518 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.560 4.477 -2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.740 2.296 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.898 3.644 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.552 2.668 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.518 2.476 -3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.331 2.845 -5.426 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.093 3.952 -4.785 1.00 0.00 H new ATOM 715 N LEU A 47 -1.968 0.489 -13.351 1.00 0.00 N ATOM 716 CA LEU A 47 -1.033 1.403 -12.706 1.00 0.00 C ATOM 717 C LEU A 47 0.262 1.506 -13.509 1.00 0.00 C ATOM 718 O LEU A 47 0.936 2.535 -13.483 1.00 0.00 O ATOM 719 CB LEU A 47 -0.722 0.915 -11.284 1.00 0.00 C ATOM 720 CG LEU A 47 -0.123 2.066 -10.443 1.00 0.00 C ATOM 721 CD1 LEU A 47 -1.244 2.895 -9.802 1.00 0.00 C ATOM 722 CD2 LEU A 47 0.761 1.487 -9.331 1.00 0.00 C ATOM 0 HA LEU A 47 -1.493 2.390 -12.659 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.632 0.545 -10.812 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.021 0.081 -11.323 1.00 0.00 H new ATOM 0 HG LEU A 47 0.470 2.703 -11.099 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.808 3.702 -9.213 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.877 3.317 -10.583 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.844 2.256 -9.154 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.182 2.300 -8.740 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.161 0.843 -8.687 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.569 0.905 -9.774 1.00 0.00 H new ATOM 734 N GLN A 48 0.601 0.436 -14.222 1.00 0.00 N ATOM 735 CA GLN A 48 1.818 0.423 -15.030 1.00 0.00 C ATOM 736 C GLN A 48 1.722 1.461 -16.141 1.00 0.00 C ATOM 737 O GLN A 48 1.605 1.118 -17.318 1.00 0.00 O ATOM 738 CB GLN A 48 2.036 -0.964 -15.644 1.00 0.00 C ATOM 739 CG GLN A 48 2.533 -1.941 -14.575 1.00 0.00 C ATOM 740 CD GLN A 48 2.973 -3.248 -15.229 1.00 0.00 C ATOM 741 OE1 GLN A 48 3.963 -3.274 -15.960 1.00 0.00 O ATOM 742 NE2 GLN A 48 2.293 -4.339 -15.009 1.00 0.00 N ATOM 0 H GLN A 48 0.057 -0.426 -14.258 1.00 0.00 H new ATOM 0 HA GLN A 48 2.662 0.664 -14.384 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.104 -1.329 -16.076 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.761 -0.901 -16.455 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.366 -1.501 -14.026 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.741 -2.135 -13.851 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.473 -4.315 -14.403 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.581 -5.216 -15.443 1.00 0.00 H new ATOM 751 N GLY A 49 1.774 2.732 -15.758 1.00 0.00 N ATOM 752 CA GLY A 49 1.695 3.822 -16.724 1.00 0.00 C ATOM 753 C GLY A 49 2.409 5.059 -16.193 1.00 0.00 C ATOM 754 O GLY A 49 2.337 6.134 -16.790 1.00 0.00 O ATOM 0 H GLY A 49 1.870 3.033 -14.788 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.144 3.513 -17.668 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.651 4.058 -16.930 1.00 0.00 H new ATOM 758 N VAL A 50 3.097 4.898 -15.061 1.00 0.00 N ATOM 759 CA VAL A 50 3.832 6.005 -14.435 1.00 0.00 C ATOM 760 C VAL A 50 5.302 5.614 -14.248 1.00 0.00 C ATOM 761 O VAL A 50 5.687 4.479 -14.524 1.00 0.00 O ATOM 762 CB VAL A 50 3.160 6.359 -13.077 1.00 0.00 C ATOM 763 CG1 VAL A 50 3.817 5.601 -11.908 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.254 7.871 -12.816 1.00 0.00 C ATOM 0 H VAL A 50 3.162 4.013 -14.557 1.00 0.00 H new ATOM 0 HA VAL A 50 3.802 6.886 -15.076 1.00 0.00 H new ATOM 0 HB VAL A 50 2.114 6.059 -13.141 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.323 5.872 -10.975 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.721 4.527 -12.071 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.873 5.866 -11.850 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.780 8.106 -11.863 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.302 8.170 -12.784 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.747 8.411 -13.616 1.00 0.00 H new ATOM 774 N SER A 51 6.116 6.555 -13.769 1.00 0.00 N ATOM 775 CA SER A 51 7.541 6.302 -13.531 1.00 0.00 C ATOM 776 C SER A 51 7.834 6.517 -12.054 1.00 0.00 C ATOM 777 O SER A 51 7.024 7.116 -11.357 1.00 0.00 O ATOM 778 CB SER A 51 8.393 7.252 -14.373 1.00 0.00 C ATOM 779 OG SER A 51 8.232 6.933 -15.750 1.00 0.00 O ATOM 0 H SER A 51 5.814 7.501 -13.537 1.00 0.00 H new ATOM 0 HA SER A 51 7.784 5.278 -13.814 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.096 8.285 -14.190 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.442 7.167 -14.088 1.00 0.00 H new ATOM 0 HG SER A 51 8.776 7.542 -16.293 1.00 0.00 H new ATOM 785 N VAL A 52 8.978 6.029 -11.581 1.00 0.00 N ATOM 786 CA VAL A 52 9.336 6.175 -10.168 1.00 0.00 C ATOM 787 C VAL A 52 9.337 7.652 -9.741 1.00 0.00 C ATOM 788 O VAL A 52 8.853 7.992 -8.662 1.00 0.00 O ATOM 789 CB VAL A 52 10.718 5.531 -9.902 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.367 6.133 -8.640 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.545 4.017 -9.707 1.00 0.00 C ATOM 0 H VAL A 52 9.668 5.534 -12.146 1.00 0.00 H new ATOM 0 HA VAL A 52 8.584 5.659 -9.571 1.00 0.00 H new ATOM 0 HB VAL A 52 11.364 5.729 -10.757 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.337 5.666 -8.472 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.500 7.206 -8.776 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.724 5.953 -7.779 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.517 3.561 -9.519 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.888 3.832 -8.857 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.107 3.582 -10.606 1.00 0.00 H new ATOM 801 N THR A 53 9.908 8.512 -10.573 1.00 0.00 N ATOM 802 CA THR A 53 9.994 9.938 -10.250 1.00 0.00 C ATOM 803 C THR A 53 8.618 10.549 -9.980 1.00 0.00 C ATOM 804 O THR A 53 8.522 11.571 -9.318 1.00 0.00 O ATOM 805 CB THR A 53 10.676 10.690 -11.405 1.00 0.00 C ATOM 806 OG1 THR A 53 12.074 10.452 -11.361 1.00 0.00 O ATOM 807 CG2 THR A 53 10.411 12.197 -11.287 1.00 0.00 C ATOM 0 H THR A 53 10.317 8.255 -11.471 1.00 0.00 H new ATOM 0 HA THR A 53 10.584 10.036 -9.339 1.00 0.00 H new ATOM 0 HB THR A 53 10.270 10.332 -12.351 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.510 10.929 -12.097 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.899 12.718 -12.111 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.338 12.382 -11.326 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.808 12.563 -10.340 1.00 0.00 H new ATOM 815 N ASP A 54 7.569 9.948 -10.500 1.00 0.00 N ATOM 816 CA ASP A 54 6.231 10.486 -10.298 1.00 0.00 C ATOM 817 C ASP A 54 5.740 10.201 -8.884 1.00 0.00 C ATOM 818 O ASP A 54 4.961 10.964 -8.313 1.00 0.00 O ATOM 819 CB ASP A 54 5.269 9.859 -11.299 1.00 0.00 C ATOM 820 CG ASP A 54 3.889 10.497 -11.170 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.191 10.167 -10.226 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.552 11.307 -12.018 1.00 0.00 O ATOM 0 H ASP A 54 7.610 9.096 -11.060 1.00 0.00 H new ATOM 0 HA ASP A 54 6.270 11.565 -10.445 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.647 9.994 -12.312 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.200 8.785 -11.125 1.00 0.00 H new ATOM 827 N LEU A 55 6.169 9.070 -8.348 1.00 0.00 N ATOM 828 CA LEU A 55 5.746 8.643 -7.015 1.00 0.00 C ATOM 829 C LEU A 55 6.212 9.598 -5.916 1.00 0.00 C ATOM 830 O LEU A 55 5.391 10.229 -5.258 1.00 0.00 O ATOM 831 CB LEU A 55 6.286 7.237 -6.706 1.00 0.00 C ATOM 832 CG LEU A 55 5.588 6.184 -7.589 1.00 0.00 C ATOM 833 CD1 LEU A 55 5.863 6.477 -9.063 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.130 4.793 -7.228 1.00 0.00 C ATOM 0 H LEU A 55 6.811 8.427 -8.812 1.00 0.00 H new ATOM 0 HA LEU A 55 4.656 8.640 -7.025 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.362 7.209 -6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.125 7.002 -5.654 1.00 0.00 H new ATOM 0 HG LEU A 55 4.512 6.218 -7.418 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.367 5.729 -9.681 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.482 7.467 -9.315 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.937 6.445 -9.246 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.642 4.040 -7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.206 4.765 -7.402 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.927 4.585 -6.177 1.00 0.00 H new ATOM 846 N LYS A 56 7.523 9.673 -5.698 1.00 0.00 N ATOM 847 CA LYS A 56 8.071 10.523 -4.632 1.00 0.00 C ATOM 848 C LYS A 56 7.609 11.976 -4.721 1.00 0.00 C ATOM 849 O LYS A 56 7.414 12.629 -3.697 1.00 0.00 O ATOM 850 CB LYS A 56 9.596 10.488 -4.665 1.00 0.00 C ATOM 851 CG LYS A 56 10.150 11.327 -3.508 1.00 0.00 C ATOM 852 CD LYS A 56 11.615 10.959 -3.241 1.00 0.00 C ATOM 853 CE LYS A 56 12.400 10.946 -4.555 1.00 0.00 C ATOM 854 NZ LYS A 56 13.859 11.023 -4.263 1.00 0.00 N ATOM 0 H LYS A 56 8.223 9.163 -6.237 1.00 0.00 H new ATOM 0 HA LYS A 56 7.694 10.115 -3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.949 9.460 -4.585 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.959 10.876 -5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.072 12.387 -3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.556 11.159 -2.610 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.058 11.676 -2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.672 9.980 -2.764 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.178 10.037 -5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.098 11.787 -5.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.393 11.014 -5.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.064 11.902 -3.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.141 10.207 -3.683 1.00 0.00 H new ATOM 868 N ILE A 57 7.438 12.482 -5.931 1.00 0.00 N ATOM 869 CA ILE A 57 7.001 13.865 -6.104 1.00 0.00 C ATOM 870 C ILE A 57 5.499 13.957 -5.869 1.00 0.00 C ATOM 871 O ILE A 57 4.963 15.028 -5.594 1.00 0.00 O ATOM 872 CB ILE A 57 7.365 14.362 -7.511 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.486 13.665 -8.559 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.837 14.036 -7.773 1.00 0.00 C ATOM 875 CD1 ILE A 57 6.890 14.101 -9.974 1.00 0.00 C ATOM 0 H ILE A 57 7.591 11.968 -6.799 1.00 0.00 H new ATOM 0 HA ILE A 57 7.509 14.500 -5.378 1.00 0.00 H new ATOM 0 HB ILE A 57 7.200 15.437 -7.578 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.584 12.584 -8.463 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.438 13.907 -8.383 1.00 0.00 H new ATOM 0 HG21 ILE A 57 9.115 14.382 -8.769 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.458 14.535 -7.029 1.00 0.00 H new ATOM 0 HG23 ILE A 57 8.988 12.959 -7.708 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.257 13.597 -10.705 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.769 15.180 -10.071 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.932 13.836 -10.153 1.00 0.00 H new ATOM 887 N GLY A 58 4.829 12.815 -5.986 1.00 0.00 N ATOM 888 CA GLY A 58 3.387 12.756 -5.796 1.00 0.00 C ATOM 889 C GLY A 58 2.993 13.024 -4.344 1.00 0.00 C ATOM 890 O GLY A 58 1.974 13.664 -4.084 1.00 0.00 O ATOM 0 H GLY A 58 5.262 11.920 -6.211 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.905 13.488 -6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.021 11.774 -6.096 1.00 0.00 H new ATOM 894 N LEU A 59 3.798 12.539 -3.398 1.00 0.00 N ATOM 895 CA LEU A 59 3.495 12.750 -1.984 1.00 0.00 C ATOM 896 C LEU A 59 3.845 14.174 -1.587 1.00 0.00 C ATOM 897 O LEU A 59 3.001 14.901 -1.061 1.00 0.00 O ATOM 898 CB LEU A 59 4.268 11.769 -1.086 1.00 0.00 C ATOM 899 CG LEU A 59 3.911 10.303 -1.412 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.387 10.099 -1.399 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.476 9.903 -2.785 1.00 0.00 C ATOM 0 H LEU A 59 4.649 12.007 -3.580 1.00 0.00 H new ATOM 0 HA LEU A 59 2.428 12.574 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.339 11.921 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.042 11.976 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 59 4.358 9.669 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.157 9.059 -1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.995 10.346 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.927 10.747 -2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.215 8.866 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.054 10.549 -3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.561 10.009 -2.777 1.00 0.00 H new ATOM 913 N ALA A 60 5.079 14.588 -1.855 1.00 0.00 N ATOM 914 CA ALA A 60 5.485 15.944 -1.530 1.00 0.00 C ATOM 915 C ALA A 60 4.764 16.912 -2.452 1.00 0.00 C ATOM 916 O ALA A 60 4.371 18.003 -2.040 1.00 0.00 O ATOM 917 CB ALA A 60 6.997 16.105 -1.695 1.00 0.00 C ATOM 0 H ALA A 60 5.802 14.013 -2.289 1.00 0.00 H new ATOM 0 HA ALA A 60 5.226 16.155 -0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.283 17.127 -1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.511 15.413 -1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.275 15.890 -2.727 1.00 0.00 H new ATOM 923 N GLY A 61 4.584 16.494 -3.709 1.00 0.00 N ATOM 924 CA GLY A 61 3.892 17.326 -4.698 1.00 0.00 C ATOM 925 C GLY A 61 4.788 17.614 -5.894 1.00 0.00 C ATOM 926 O GLY A 61 4.402 17.377 -7.039 1.00 0.00 O ATOM 0 H GLY A 61 4.905 15.593 -4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.985 16.821 -5.032 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.583 18.264 -4.237 1.00 0.00 H new ATOM 930 N SER A 62 5.988 18.131 -5.629 1.00 0.00 N ATOM 931 CA SER A 62 6.930 18.451 -6.701 1.00 0.00 C ATOM 932 C SER A 62 8.348 18.059 -6.313 1.00 0.00 C ATOM 933 O SER A 62 8.702 18.049 -5.133 1.00 0.00 O ATOM 934 CB SER A 62 6.883 19.948 -7.006 1.00 0.00 C ATOM 935 OG SER A 62 5.528 20.377 -7.047 1.00 0.00 O ATOM 0 H SER A 62 6.328 18.336 -4.690 1.00 0.00 H new ATOM 0 HA SER A 62 6.641 17.886 -7.587 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.429 20.503 -6.244 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.370 20.152 -7.960 1.00 0.00 H new ATOM 0 HG SER A 62 5.495 21.337 -7.241 1.00 0.00 H new ATOM 941 N GLU A 63 9.154 17.729 -7.316 1.00 0.00 N ATOM 942 CA GLU A 63 10.537 17.331 -7.094 1.00 0.00 C ATOM 943 C GLU A 63 11.340 18.439 -6.413 1.00 0.00 C ATOM 944 O GLU A 63 12.567 18.468 -6.502 1.00 0.00 O ATOM 945 CB GLU A 63 11.195 16.971 -8.429 1.00 0.00 C ATOM 946 CG GLU A 63 11.014 18.124 -9.421 1.00 0.00 C ATOM 947 CD GLU A 63 11.899 17.904 -10.643 1.00 0.00 C ATOM 948 OE1 GLU A 63 12.611 16.913 -10.665 1.00 0.00 O ATOM 949 OE2 GLU A 63 11.853 18.730 -11.540 1.00 0.00 O ATOM 0 H GLU A 63 8.870 17.730 -8.296 1.00 0.00 H new ATOM 0 HA GLU A 63 10.531 16.463 -6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.256 16.770 -8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.751 16.060 -8.830 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.970 18.192 -9.726 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.269 19.070 -8.943 1.00 0.00 H new ATOM 956 N GLU A 64 10.647 19.350 -5.729 1.00 0.00 N ATOM 957 CA GLU A 64 11.302 20.451 -5.035 1.00 0.00 C ATOM 958 C GLU A 64 11.501 20.114 -3.559 1.00 0.00 C ATOM 959 O GLU A 64 12.628 20.107 -3.062 1.00 0.00 O ATOM 960 CB GLU A 64 10.450 21.718 -5.149 1.00 0.00 C ATOM 961 CG GLU A 64 10.132 22.004 -6.620 1.00 0.00 C ATOM 962 CD GLU A 64 9.062 23.087 -6.719 1.00 0.00 C ATOM 963 OE1 GLU A 64 9.387 24.237 -6.478 1.00 0.00 O ATOM 964 OE2 GLU A 64 7.933 22.747 -7.034 1.00 0.00 O ATOM 0 H GLU A 64 9.631 19.344 -5.643 1.00 0.00 H new ATOM 0 HA GLU A 64 12.275 20.616 -5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.525 21.596 -4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.981 22.564 -4.712 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.035 22.324 -7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.787 21.094 -7.110 1.00 0.00 H new ATOM 971 N ASP A 65 10.396 19.869 -2.850 1.00 0.00 N ATOM 972 CA ASP A 65 10.457 19.573 -1.418 1.00 0.00 C ATOM 973 C ASP A 65 10.762 18.100 -1.135 1.00 0.00 C ATOM 974 O ASP A 65 11.075 17.742 0.001 1.00 0.00 O ATOM 975 CB ASP A 65 9.113 19.955 -0.764 1.00 0.00 C ATOM 976 CG ASP A 65 9.321 20.384 0.688 1.00 0.00 C ATOM 977 OD1 ASP A 65 9.745 21.509 0.897 1.00 0.00 O ATOM 978 OD2 ASP A 65 9.055 19.581 1.568 1.00 0.00 O ATOM 0 H ASP A 65 9.454 19.870 -3.242 1.00 0.00 H new ATOM 0 HA ASP A 65 11.273 20.159 -0.995 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.648 20.766 -1.325 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.430 19.107 -0.803 1.00 0.00 H new ATOM 983 N VAL A 66 10.668 17.243 -2.146 1.00 0.00 N ATOM 984 CA VAL A 66 10.939 15.824 -1.930 1.00 0.00 C ATOM 985 C VAL A 66 12.237 15.644 -1.149 1.00 0.00 C ATOM 986 O VAL A 66 12.437 14.629 -0.481 1.00 0.00 O ATOM 987 CB VAL A 66 11.036 15.079 -3.259 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.647 14.945 -3.880 1.00 0.00 C ATOM 989 CG2 VAL A 66 11.933 15.848 -4.220 1.00 0.00 C ATOM 0 H VAL A 66 10.413 17.495 -3.101 1.00 0.00 H new ATOM 0 HA VAL A 66 10.111 15.409 -1.355 1.00 0.00 H new ATOM 0 HB VAL A 66 11.456 14.090 -3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.722 14.413 -4.828 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.998 14.390 -3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.229 15.937 -4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.998 15.311 -5.166 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.515 16.839 -4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.929 15.945 -3.789 1.00 0.00 H new ATOM 999 N ASP A 67 13.112 16.640 -1.234 1.00 0.00 N ATOM 1000 CA ASP A 67 14.384 16.586 -0.526 1.00 0.00 C ATOM 1001 C ASP A 67 14.150 16.442 0.975 1.00 0.00 C ATOM 1002 O ASP A 67 14.915 15.776 1.673 1.00 0.00 O ATOM 1003 CB ASP A 67 15.190 17.858 -0.798 1.00 0.00 C ATOM 1004 CG ASP A 67 16.475 17.844 0.020 1.00 0.00 C ATOM 1005 OD1 ASP A 67 16.936 16.761 0.344 1.00 0.00 O ATOM 1006 OD2 ASP A 67 16.980 18.916 0.312 1.00 0.00 O ATOM 0 H ASP A 67 12.965 17.488 -1.782 1.00 0.00 H new ATOM 0 HA ASP A 67 14.943 15.721 -0.884 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.426 17.929 -1.860 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.596 18.736 -0.544 1.00 0.00 H new ATOM 1011 N MET A 68 13.086 17.074 1.463 1.00 0.00 N ATOM 1012 CA MET A 68 12.753 17.015 2.885 1.00 0.00 C ATOM 1013 C MET A 68 11.936 15.764 3.195 1.00 0.00 C ATOM 1014 O MET A 68 12.058 15.187 4.275 1.00 0.00 O ATOM 1015 CB MET A 68 11.957 18.259 3.286 1.00 0.00 C ATOM 1016 CG MET A 68 12.813 19.508 3.066 1.00 0.00 C ATOM 1017 SD MET A 68 14.145 19.549 4.292 1.00 0.00 S ATOM 1018 CE MET A 68 14.952 21.058 3.704 1.00 0.00 C ATOM 0 H MET A 68 12.443 17.630 0.900 1.00 0.00 H new ATOM 0 HA MET A 68 13.682 16.977 3.455 1.00 0.00 H new ATOM 0 HB2 MET A 68 11.043 18.324 2.696 1.00 0.00 H new ATOM 0 HB3 MET A 68 11.658 18.190 4.332 1.00 0.00 H new ATOM 0 HG2 MET A 68 13.231 19.503 2.059 1.00 0.00 H new ATOM 0 HG3 MET A 68 12.198 20.404 3.151 1.00 0.00 H new ATOM 0 HE1 MET A 68 15.818 21.275 4.330 1.00 0.00 H new ATOM 0 HE2 MET A 68 15.276 20.919 2.672 1.00 0.00 H new ATOM 0 HE3 MET A 68 14.249 21.890 3.755 1.00 0.00 H new ATOM 1028 N LEU A 69 11.104 15.348 2.244 1.00 0.00 N ATOM 1029 CA LEU A 69 10.277 14.163 2.439 1.00 0.00 C ATOM 1030 C LEU A 69 11.134 12.998 2.930 1.00 0.00 C ATOM 1031 O LEU A 69 12.104 12.610 2.278 1.00 0.00 O ATOM 1032 CB LEU A 69 9.585 13.786 1.126 1.00 0.00 C ATOM 1033 CG LEU A 69 8.446 12.784 1.394 1.00 0.00 C ATOM 1034 CD1 LEU A 69 7.294 13.459 2.170 1.00 0.00 C ATOM 1035 CD2 LEU A 69 7.922 12.253 0.051 1.00 0.00 C ATOM 0 H LEU A 69 10.986 15.808 1.341 1.00 0.00 H new ATOM 0 HA LEU A 69 9.518 14.383 3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.187 14.680 0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.308 13.350 0.437 1.00 0.00 H new ATOM 0 HG LEU A 69 8.831 11.963 1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.501 12.733 2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.667 13.831 3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.900 14.291 1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.115 11.543 0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.548 13.084 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.731 11.756 -0.484 1.00 0.00 H new ATOM 1047 N ASP A 70 10.778 12.459 4.091 1.00 0.00 N ATOM 1048 CA ASP A 70 11.527 11.351 4.679 1.00 0.00 C ATOM 1049 C ASP A 70 11.628 10.167 3.720 1.00 0.00 C ATOM 1050 O ASP A 70 12.562 9.374 3.812 1.00 0.00 O ATOM 1051 CB ASP A 70 10.854 10.895 5.974 1.00 0.00 C ATOM 1052 CG ASP A 70 11.776 9.944 6.732 1.00 0.00 C ATOM 1053 OD1 ASP A 70 12.980 10.123 6.642 1.00 0.00 O ATOM 1054 OD2 ASP A 70 11.265 9.053 7.388 1.00 0.00 O ATOM 0 H ASP A 70 9.978 12.769 4.643 1.00 0.00 H new ATOM 0 HA ASP A 70 12.535 11.709 4.888 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.618 11.759 6.595 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.911 10.398 5.748 1.00 0.00 H new ATOM 1059 N THR A 71 10.674 10.054 2.800 1.00 0.00 N ATOM 1060 CA THR A 71 10.689 8.955 1.836 1.00 0.00 C ATOM 1061 C THR A 71 12.069 8.851 1.171 1.00 0.00 C ATOM 1062 O THR A 71 12.418 9.714 0.365 1.00 0.00 O ATOM 1063 CB THR A 71 9.638 9.195 0.751 1.00 0.00 C ATOM 1064 OG1 THR A 71 8.382 9.469 1.357 1.00 0.00 O ATOM 1065 CG2 THR A 71 9.523 7.948 -0.130 1.00 0.00 C ATOM 0 H THR A 71 9.891 10.699 2.701 1.00 0.00 H new ATOM 0 HA THR A 71 10.467 8.030 2.368 1.00 0.00 H new ATOM 0 HB THR A 71 9.935 10.046 0.138 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.743 8.766 1.117 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.774 8.117 -0.904 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.486 7.742 -0.596 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.226 7.096 0.482 1.00 0.00 H new ATOM 1073 N PRO A 72 12.868 7.841 1.469 1.00 0.00 N ATOM 1074 CA PRO A 72 14.217 7.703 0.838 1.00 0.00 C ATOM 1075 C PRO A 72 14.144 7.713 -0.691 1.00 0.00 C ATOM 1076 O PRO A 72 13.211 8.255 -1.281 1.00 0.00 O ATOM 1077 CB PRO A 72 14.742 6.349 1.353 1.00 0.00 C ATOM 1078 CG PRO A 72 13.965 6.067 2.599 1.00 0.00 C ATOM 1079 CD PRO A 72 12.600 6.737 2.418 1.00 0.00 C ATOM 0 HA PRO A 72 14.868 8.537 1.098 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.594 5.563 0.612 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.811 6.395 1.559 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.853 4.994 2.753 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.479 6.463 3.475 1.00 0.00 H new ATOM 0 HD2 PRO A 72 11.862 6.040 2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.209 7.110 3.365 1.00 0.00 H new ATOM 1087 N MET A 73 15.138 7.092 -1.319 1.00 0.00 N ATOM 1088 CA MET A 73 15.204 7.003 -2.778 1.00 0.00 C ATOM 1089 C MET A 73 15.093 5.551 -3.204 1.00 0.00 C ATOM 1090 O MET A 73 14.736 5.243 -4.341 1.00 0.00 O ATOM 1091 CB MET A 73 16.536 7.566 -3.271 1.00 0.00 C ATOM 1092 CG MET A 73 17.680 6.672 -2.785 1.00 0.00 C ATOM 1093 SD MET A 73 19.261 7.521 -3.037 1.00 0.00 S ATOM 1094 CE MET A 73 19.651 6.813 -4.658 1.00 0.00 C ATOM 0 H MET A 73 15.915 6.639 -0.838 1.00 0.00 H new ATOM 0 HA MET A 73 14.383 7.578 -3.207 1.00 0.00 H new ATOM 0 HB2 MET A 73 16.540 7.620 -4.360 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.672 8.582 -2.901 1.00 0.00 H new ATOM 0 HG2 MET A 73 17.547 6.435 -1.729 1.00 0.00 H new ATOM 0 HG3 MET A 73 17.672 5.727 -3.328 1.00 0.00 H new ATOM 0 HE1 MET A 73 20.605 7.209 -5.008 1.00 0.00 H new ATOM 0 HE2 MET A 73 19.717 5.728 -4.575 1.00 0.00 H new ATOM 0 HE3 MET A 73 18.867 7.076 -5.368 1.00 0.00 H new ATOM 1104 N SER A 74 15.394 4.664 -2.268 1.00 0.00 N ATOM 1105 CA SER A 74 15.322 3.232 -2.518 1.00 0.00 C ATOM 1106 C SER A 74 13.931 2.723 -2.166 1.00 0.00 C ATOM 1107 O SER A 74 13.513 1.658 -2.621 1.00 0.00 O ATOM 1108 CB SER A 74 16.362 2.503 -1.666 1.00 0.00 C ATOM 1109 OG SER A 74 17.664 2.903 -2.071 1.00 0.00 O ATOM 0 H SER A 74 15.692 4.912 -1.324 1.00 0.00 H new ATOM 0 HA SER A 74 15.524 3.042 -3.572 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.210 2.732 -0.611 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.249 1.425 -1.777 1.00 0.00 H new ATOM 0 HG SER A 74 18.333 2.439 -1.526 1.00 0.00 H new ATOM 1115 N ALA A 75 13.214 3.497 -1.352 1.00 0.00 N ATOM 1116 CA ALA A 75 11.871 3.123 -0.945 1.00 0.00 C ATOM 1117 C ALA A 75 10.942 3.105 -2.151 1.00 0.00 C ATOM 1118 O ALA A 75 10.032 2.283 -2.235 1.00 0.00 O ATOM 1119 CB ALA A 75 11.356 4.112 0.098 1.00 0.00 C ATOM 0 H ALA A 75 13.544 4.382 -0.966 1.00 0.00 H new ATOM 0 HA ALA A 75 11.896 2.124 -0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.348 3.829 0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.014 4.100 0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.338 5.115 -0.329 1.00 0.00 H new ATOM 1125 N LEU A 76 11.173 4.017 -3.090 1.00 0.00 N ATOM 1126 CA LEU A 76 10.338 4.064 -4.280 1.00 0.00 C ATOM 1127 C LEU A 76 10.567 2.804 -5.097 1.00 0.00 C ATOM 1128 O LEU A 76 9.622 2.111 -5.476 1.00 0.00 O ATOM 1129 CB LEU A 76 10.665 5.275 -5.154 1.00 0.00 C ATOM 1130 CG LEU A 76 10.614 6.584 -4.349 1.00 0.00 C ATOM 1131 CD1 LEU A 76 9.300 6.676 -3.570 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.804 6.692 -3.379 1.00 0.00 C ATOM 0 H LEU A 76 11.914 4.717 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 76 9.300 4.141 -3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.657 5.153 -5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.958 5.328 -5.982 1.00 0.00 H new ATOM 0 HG LEU A 76 10.674 7.412 -5.056 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.277 7.607 -3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.462 6.653 -4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.224 5.833 -2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.738 7.629 -2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.781 5.855 -2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.736 6.669 -3.943 1.00 0.00 H new ATOM 1144 N LYS A 77 11.836 2.511 -5.355 1.00 0.00 N ATOM 1145 CA LYS A 77 12.190 1.326 -6.117 1.00 0.00 C ATOM 1146 C LYS A 77 11.594 0.099 -5.429 1.00 0.00 C ATOM 1147 O LYS A 77 11.227 -0.877 -6.084 1.00 0.00 O ATOM 1148 CB LYS A 77 13.729 1.204 -6.223 1.00 0.00 C ATOM 1149 CG LYS A 77 14.240 1.826 -7.541 1.00 0.00 C ATOM 1150 CD LYS A 77 14.035 3.355 -7.541 1.00 0.00 C ATOM 1151 CE LYS A 77 15.227 4.054 -6.872 1.00 0.00 C ATOM 1152 NZ LYS A 77 16.414 3.974 -7.768 1.00 0.00 N ATOM 0 H LYS A 77 12.629 3.074 -5.049 1.00 0.00 H new ATOM 0 HA LYS A 77 11.788 1.400 -7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.197 1.703 -5.375 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.019 0.154 -6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.298 1.596 -7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.712 1.384 -8.386 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.922 3.713 -8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 77 13.115 3.605 -7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.983 5.096 -6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 77 15.448 3.583 -5.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 17.071 4.749 -7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 16.894 3.062 -7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 16.107 4.055 -8.758 1.00 0.00 H new ATOM 1166 N ASP A 78 11.495 0.164 -4.104 1.00 0.00 N ATOM 1167 CA ASP A 78 10.934 -0.935 -3.336 1.00 0.00 C ATOM 1168 C ASP A 78 9.431 -1.020 -3.579 1.00 0.00 C ATOM 1169 O ASP A 78 8.919 -2.057 -3.998 1.00 0.00 O ATOM 1170 CB ASP A 78 11.216 -0.722 -1.842 1.00 0.00 C ATOM 1171 CG ASP A 78 12.663 -1.092 -1.523 1.00 0.00 C ATOM 1172 OD1 ASP A 78 13.488 -0.997 -2.417 1.00 0.00 O ATOM 1173 OD2 ASP A 78 12.923 -1.465 -0.391 1.00 0.00 O ATOM 0 H ASP A 78 11.795 0.963 -3.546 1.00 0.00 H new ATOM 0 HA ASP A 78 11.397 -1.869 -3.654 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.031 0.318 -1.574 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.537 -1.331 -1.245 1.00 0.00 H new ATOM 1178 N ALA A 79 8.728 0.076 -3.309 1.00 0.00 N ATOM 1179 CA ALA A 79 7.283 0.115 -3.494 1.00 0.00 C ATOM 1180 C ALA A 79 6.903 -0.043 -4.970 1.00 0.00 C ATOM 1181 O ALA A 79 6.195 -0.985 -5.325 1.00 0.00 O ATOM 1182 CB ALA A 79 6.727 1.437 -2.953 1.00 0.00 C ATOM 0 H ALA A 79 9.134 0.945 -2.963 1.00 0.00 H new ATOM 0 HA ALA A 79 6.849 -0.720 -2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.646 1.462 -3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.957 1.521 -1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.182 2.270 -3.490 1.00 0.00 H new ATOM 1188 N VAL A 80 7.352 0.894 -5.818 1.00 0.00 N ATOM 1189 CA VAL A 80 7.030 0.855 -7.253 1.00 0.00 C ATOM 1190 C VAL A 80 6.984 -0.581 -7.770 1.00 0.00 C ATOM 1191 O VAL A 80 6.294 -0.887 -8.739 1.00 0.00 O ATOM 1192 CB VAL A 80 8.046 1.674 -8.057 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.310 0.853 -8.320 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.428 2.080 -9.400 1.00 0.00 C ATOM 0 H VAL A 80 7.935 1.683 -5.538 1.00 0.00 H new ATOM 0 HA VAL A 80 6.042 1.296 -7.383 1.00 0.00 H new ATOM 0 HB VAL A 80 8.310 2.561 -7.481 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.020 1.451 -8.892 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.761 0.565 -7.370 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.051 -0.042 -8.885 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.150 2.662 -9.972 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.157 1.186 -9.961 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.536 2.681 -9.223 1.00 0.00 H new ATOM 1204 N ARG A 81 7.721 -1.451 -7.099 1.00 0.00 N ATOM 1205 CA ARG A 81 7.762 -2.856 -7.476 1.00 0.00 C ATOM 1206 C ARG A 81 6.512 -3.547 -6.957 1.00 0.00 C ATOM 1207 O ARG A 81 5.790 -4.216 -7.696 1.00 0.00 O ATOM 1208 CB ARG A 81 8.998 -3.529 -6.872 1.00 0.00 C ATOM 1209 CG ARG A 81 9.159 -4.937 -7.463 1.00 0.00 C ATOM 1210 CD ARG A 81 10.164 -5.748 -6.635 1.00 0.00 C ATOM 1211 NE ARG A 81 11.529 -5.322 -6.937 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.562 -6.148 -6.788 1.00 0.00 C ATOM 1213 NH1 ARG A 81 12.371 -7.372 -6.377 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.772 -5.734 -7.054 1.00 0.00 N ATOM 0 H ARG A 81 8.298 -1.211 -6.293 1.00 0.00 H new ATOM 0 HA ARG A 81 7.810 -2.934 -8.562 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.887 -2.933 -7.079 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.899 -3.588 -5.788 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.195 -5.445 -7.478 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.499 -4.869 -8.496 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.961 -5.616 -5.572 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.051 -6.810 -6.851 1.00 0.00 H new ATOM 0 HE ARG A 81 11.694 -4.372 -7.269 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.427 -7.699 -6.169 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.165 -8.002 -6.264 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.925 -4.778 -7.376 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.564 -6.367 -6.940 1.00 0.00 H new ATOM 1228 N ILE A 82 6.294 -3.387 -5.663 1.00 0.00 N ATOM 1229 CA ILE A 82 5.164 -3.999 -4.992 1.00 0.00 C ATOM 1230 C ILE A 82 3.837 -3.726 -5.724 1.00 0.00 C ATOM 1231 O ILE A 82 3.036 -4.646 -5.890 1.00 0.00 O ATOM 1232 CB ILE A 82 5.116 -3.508 -3.536 1.00 0.00 C ATOM 1233 CG1 ILE A 82 6.203 -4.230 -2.724 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.747 -3.804 -2.922 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.347 -3.574 -1.349 1.00 0.00 C ATOM 0 H ILE A 82 6.893 -2.832 -5.052 1.00 0.00 H new ATOM 0 HA ILE A 82 5.298 -5.081 -5.002 1.00 0.00 H new ATOM 0 HB ILE A 82 5.288 -2.432 -3.517 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.945 -5.283 -2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.153 -4.191 -3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.727 -3.451 -1.891 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.973 -3.294 -3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.564 -4.878 -2.941 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.119 -4.090 -0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.626 -2.528 -1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.399 -3.636 -0.815 1.00 0.00 H new ATOM 1247 N LEU A 83 3.586 -2.487 -6.168 1.00 0.00 N ATOM 1248 CA LEU A 83 2.325 -2.215 -6.872 1.00 0.00 C ATOM 1249 C LEU A 83 2.406 -2.756 -8.297 1.00 0.00 C ATOM 1250 O LEU A 83 1.413 -3.239 -8.841 1.00 0.00 O ATOM 1251 CB LEU A 83 1.936 -0.703 -6.925 1.00 0.00 C ATOM 1252 CG LEU A 83 2.613 0.137 -5.821 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.698 -0.613 -4.481 1.00 0.00 C ATOM 1254 CD2 LEU A 83 3.991 0.567 -6.287 1.00 0.00 C ATOM 0 H LEU A 83 4.210 -1.687 -6.059 1.00 0.00 H new ATOM 0 HA LEU A 83 1.547 -2.718 -6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.209 -0.298 -7.900 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.854 -0.609 -6.832 1.00 0.00 H new ATOM 0 HG LEU A 83 1.995 1.017 -5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.182 0.022 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.694 -0.867 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.278 -1.526 -4.611 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.470 1.160 -5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.596 -0.315 -6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.898 1.165 -7.193 1.00 0.00 H new ATOM 1266 N TRP A 84 3.591 -2.671 -8.897 1.00 0.00 N ATOM 1267 CA TRP A 84 3.770 -3.161 -10.267 1.00 0.00 C ATOM 1268 C TRP A 84 3.118 -4.539 -10.427 1.00 0.00 C ATOM 1269 O TRP A 84 2.706 -4.917 -11.523 1.00 0.00 O ATOM 1270 CB TRP A 84 5.284 -3.246 -10.593 1.00 0.00 C ATOM 1271 CG TRP A 84 5.659 -2.318 -11.712 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.284 -2.697 -12.850 1.00 0.00 C ATOM 1273 CD2 TRP A 84 5.463 -0.877 -11.813 1.00 0.00 C ATOM 1274 NE1 TRP A 84 6.484 -1.583 -13.642 1.00 0.00 N ATOM 1275 CE2 TRP A 84 5.998 -0.437 -13.048 1.00 0.00 C ATOM 1276 CE3 TRP A 84 4.881 0.081 -10.964 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 5.958 0.905 -13.425 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 4.839 1.434 -11.342 1.00 0.00 C ATOM 1279 CH2 TRP A 84 5.377 1.843 -12.569 1.00 0.00 C ATOM 0 H TRP A 84 4.428 -2.276 -8.469 1.00 0.00 H new ATOM 0 HA TRP A 84 3.291 -2.469 -10.960 1.00 0.00 H new ATOM 0 HB2 TRP A 84 5.863 -2.998 -9.704 1.00 0.00 H new ATOM 0 HB3 TRP A 84 5.542 -4.269 -10.866 1.00 0.00 H new ATOM 0 HD1 TRP A 84 6.579 -3.706 -13.099 1.00 0.00 H new ATOM 0 HE1 TRP A 84 6.937 -1.605 -14.556 1.00 0.00 H new ATOM 0 HE3 TRP A 84 4.464 -0.225 -10.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 6.373 1.217 -14.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 4.390 2.162 -10.683 1.00 0.00 H new ATOM 0 HH2 TRP A 84 5.342 2.884 -12.853 1.00 0.00 H new ATOM 1290 N GLY A 85 3.047 -5.286 -9.327 1.00 0.00 N ATOM 1291 CA GLY A 85 2.464 -6.627 -9.349 1.00 0.00 C ATOM 1292 C GLY A 85 3.561 -7.673 -9.499 1.00 0.00 C ATOM 1293 O GLY A 85 3.291 -8.839 -9.786 1.00 0.00 O ATOM 0 H GLY A 85 3.385 -4.987 -8.412 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.905 -6.804 -8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.756 -6.711 -10.174 1.00 0.00 H new ATOM 1297 N GLU A 86 4.805 -7.238 -9.297 1.00 0.00 N ATOM 1298 CA GLU A 86 5.965 -8.126 -9.404 1.00 0.00 C ATOM 1299 C GLU A 86 6.507 -8.448 -8.014 1.00 0.00 C ATOM 1300 O GLU A 86 7.453 -9.223 -7.870 1.00 0.00 O ATOM 1301 CB GLU A 86 7.055 -7.447 -10.244 1.00 0.00 C ATOM 1302 CG GLU A 86 8.056 -8.490 -10.749 1.00 0.00 C ATOM 1303 CD GLU A 86 9.083 -7.827 -11.661 1.00 0.00 C ATOM 1304 OE1 GLU A 86 10.086 -7.360 -11.148 1.00 0.00 O ATOM 1305 OE2 GLU A 86 8.851 -7.797 -12.858 1.00 0.00 O ATOM 0 H GLU A 86 5.036 -6.274 -9.058 1.00 0.00 H new ATOM 0 HA GLU A 86 5.662 -9.055 -9.888 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.603 -6.927 -11.088 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.571 -6.696 -9.646 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.558 -8.963 -9.905 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.532 -9.278 -11.290 1.00 0.00 H new ATOM 1312 N ALA A 87 5.895 -7.841 -6.997 1.00 0.00 N ATOM 1313 CA ALA A 87 6.302 -8.049 -5.605 1.00 0.00 C ATOM 1314 C ALA A 87 6.808 -9.478 -5.378 1.00 0.00 C ATOM 1315 O ALA A 87 7.720 -9.705 -4.584 1.00 0.00 O ATOM 1316 CB ALA A 87 5.105 -7.759 -4.678 1.00 0.00 C ATOM 0 H ALA A 87 5.112 -7.198 -7.111 1.00 0.00 H new ATOM 0 HA ALA A 87 7.122 -7.367 -5.378 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.403 -7.912 -3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.781 -6.727 -4.814 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.284 -8.432 -4.923 1.00 0.00 H new ATOM 1322 N GLU A 88 6.209 -10.431 -6.084 1.00 0.00 N ATOM 1323 CA GLU A 88 6.604 -11.829 -5.953 1.00 0.00 C ATOM 1324 C GLU A 88 8.125 -11.960 -5.973 1.00 0.00 C ATOM 1325 O GLU A 88 8.712 -12.634 -5.128 1.00 0.00 O ATOM 1326 CB GLU A 88 6.002 -12.650 -7.095 1.00 0.00 C ATOM 1327 CG GLU A 88 4.476 -12.620 -6.993 1.00 0.00 C ATOM 1328 CD GLU A 88 4.020 -13.394 -5.761 1.00 0.00 C ATOM 1329 OE1 GLU A 88 4.431 -14.533 -5.616 1.00 0.00 O ATOM 1330 OE2 GLU A 88 3.264 -12.837 -4.982 1.00 0.00 O ATOM 0 H GLU A 88 5.453 -10.263 -6.748 1.00 0.00 H new ATOM 0 HA GLU A 88 6.232 -12.206 -5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.321 -12.246 -8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.361 -13.678 -7.047 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.128 -11.589 -6.934 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.035 -13.055 -7.890 1.00 0.00 H new