USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 LYS NZ :NH3+ 172:sc= -1.07 (180deg=-1.19) USER MOD Set 1.2: A 73 MET CE :methyl -119:sc= -1.4! (180deg=-1.06) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -1.89 USER MOD Single : A 29 GLN : amide:sc= -0.568 K(o=-0.57,f=-3.1!) USER MOD Single : A 48 GLN : amide:sc= -0.652 K(o=-0.65,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 62 SER OG : rot -147:sc= -0.196 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -140:sc= -3.28! USER MOD Single : A 74 SER OG : rot -33:sc= 0.239! USER MOD Single : A 77 LYS NZ :NH3+ 159:sc= -0.191 (180deg=-1.04) USER MOD ----------------------------------------------------------------- ATOM 183 N LEU A 13 -4.573 -5.893 -1.451 1.00 0.00 N ATOM 184 CA LEU A 13 -3.945 -6.608 -0.342 1.00 0.00 C ATOM 185 C LEU A 13 -2.420 -6.469 -0.424 1.00 0.00 C ATOM 186 O LEU A 13 -1.744 -6.301 0.590 1.00 0.00 O ATOM 187 CB LEU A 13 -4.326 -8.099 -0.438 1.00 0.00 C ATOM 188 CG LEU A 13 -5.655 -8.415 0.289 1.00 0.00 C ATOM 189 CD1 LEU A 13 -6.705 -7.308 0.076 1.00 0.00 C ATOM 190 CD2 LEU A 13 -6.208 -9.741 -0.262 1.00 0.00 C ATOM 0 HA LEU A 13 -4.289 -6.189 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.412 -8.383 -1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.527 -8.704 -0.009 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.453 -8.483 1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.622 -7.570 0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.322 -6.364 0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.915 -7.206 -0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.146 -9.980 0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.384 -9.645 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.487 -10.538 -0.083 1.00 0.00 H new ATOM 202 N ARG A 14 -1.892 -6.574 -1.642 1.00 0.00 N ATOM 203 CA ARG A 14 -0.444 -6.496 -1.866 1.00 0.00 C ATOM 204 C ARG A 14 0.043 -5.056 -2.023 1.00 0.00 C ATOM 205 O ARG A 14 1.122 -4.706 -1.545 1.00 0.00 O ATOM 206 CB ARG A 14 -0.079 -7.293 -3.123 1.00 0.00 C ATOM 207 CG ARG A 14 1.411 -7.640 -3.103 1.00 0.00 C ATOM 208 CD ARG A 14 1.803 -8.287 -4.432 1.00 0.00 C ATOM 209 NE ARG A 14 1.082 -9.542 -4.614 1.00 0.00 N ATOM 210 CZ ARG A 14 1.456 -10.645 -3.976 1.00 0.00 C ATOM 211 NH1 ARG A 14 2.481 -10.614 -3.170 1.00 0.00 N ATOM 212 NH2 ARG A 14 0.798 -11.758 -4.155 1.00 0.00 N ATOM 0 H ARG A 14 -2.442 -6.713 -2.490 1.00 0.00 H new ATOM 0 HA ARG A 14 0.046 -6.917 -0.988 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.673 -8.205 -3.171 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.314 -6.711 -4.014 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.003 -6.740 -2.936 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.626 -8.320 -2.278 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.579 -7.608 -5.255 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.877 -8.470 -4.453 1.00 0.00 H new ATOM 0 HE ARG A 14 0.278 -9.573 -5.241 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.994 -9.743 -3.031 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.770 -11.460 -2.679 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.004 -11.781 -4.785 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.086 -12.605 -3.665 1.00 0.00 H new ATOM 226 N ILE A 15 -0.744 -4.227 -2.695 1.00 0.00 N ATOM 227 CA ILE A 15 -0.362 -2.835 -2.902 1.00 0.00 C ATOM 228 C ILE A 15 -0.315 -2.096 -1.563 1.00 0.00 C ATOM 229 O ILE A 15 0.124 -0.949 -1.493 1.00 0.00 O ATOM 230 CB ILE A 15 -1.350 -2.163 -3.885 1.00 0.00 C ATOM 231 CG1 ILE A 15 -0.951 -2.488 -5.333 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.344 -0.638 -3.713 1.00 0.00 C ATOM 233 CD1 ILE A 15 -0.765 -3.998 -5.516 1.00 0.00 C ATOM 0 H ILE A 15 -1.642 -4.489 -3.103 1.00 0.00 H new ATOM 0 HA ILE A 15 0.635 -2.792 -3.340 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.347 -2.547 -3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.718 -2.125 -6.017 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.027 -1.969 -5.586 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.047 -0.190 -4.415 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.638 -0.386 -2.694 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.343 -0.254 -3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.483 -4.207 -6.548 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.019 -4.352 -4.846 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.699 -4.510 -5.284 1.00 0.00 H new ATOM 245 N ALA A 16 -0.756 -2.763 -0.498 1.00 0.00 N ATOM 246 CA ALA A 16 -0.743 -2.156 0.829 1.00 0.00 C ATOM 247 C ALA A 16 0.533 -2.519 1.567 1.00 0.00 C ATOM 248 O ALA A 16 0.923 -1.844 2.516 1.00 0.00 O ATOM 249 CB ALA A 16 -1.965 -2.590 1.632 1.00 0.00 C ATOM 0 H ALA A 16 -1.123 -3.714 -0.528 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.778 -1.073 0.710 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.936 -2.126 2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.871 -2.280 1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.962 -3.675 1.741 1.00 0.00 H new ATOM 255 N LEU A 17 1.196 -3.568 1.113 1.00 0.00 N ATOM 256 CA LEU A 17 2.447 -3.978 1.731 1.00 0.00 C ATOM 257 C LEU A 17 3.512 -2.939 1.400 1.00 0.00 C ATOM 258 O LEU A 17 4.439 -2.707 2.176 1.00 0.00 O ATOM 259 CB LEU A 17 2.864 -5.369 1.204 1.00 0.00 C ATOM 260 CG LEU A 17 2.405 -6.488 2.165 1.00 0.00 C ATOM 261 CD1 LEU A 17 3.314 -6.535 3.405 1.00 0.00 C ATOM 262 CD2 LEU A 17 0.940 -6.260 2.599 1.00 0.00 C ATOM 0 H LEU A 17 0.895 -4.146 0.328 1.00 0.00 H new ATOM 0 HA LEU A 17 2.328 -4.047 2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.431 -5.532 0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.947 -5.407 1.087 1.00 0.00 H new ATOM 0 HG LEU A 17 2.473 -7.440 1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.978 -7.328 4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.341 -6.731 3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.268 -5.579 3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.633 -7.057 3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.857 -5.300 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.296 -6.262 1.720 1.00 0.00 H new ATOM 274 N ALA A 18 3.359 -2.317 0.238 1.00 0.00 N ATOM 275 CA ALA A 18 4.294 -1.296 -0.204 1.00 0.00 C ATOM 276 C ALA A 18 4.367 -0.169 0.812 1.00 0.00 C ATOM 277 O ALA A 18 5.448 0.335 1.109 1.00 0.00 O ATOM 278 CB ALA A 18 3.853 -0.758 -1.561 1.00 0.00 C ATOM 0 H ALA A 18 2.596 -2.503 -0.413 1.00 0.00 H new ATOM 0 HA ALA A 18 5.287 -1.736 -0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.553 0.008 -1.894 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.834 -1.572 -2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.856 -0.325 -1.474 1.00 0.00 H new ATOM 284 N ALA A 19 3.214 0.224 1.349 1.00 0.00 N ATOM 285 CA ALA A 19 3.184 1.298 2.343 1.00 0.00 C ATOM 286 C ALA A 19 4.355 1.135 3.316 1.00 0.00 C ATOM 287 O ALA A 19 4.929 2.120 3.781 1.00 0.00 O ATOM 288 CB ALA A 19 1.854 1.295 3.100 1.00 0.00 C ATOM 0 H ALA A 19 2.304 -0.175 1.119 1.00 0.00 H new ATOM 0 HA ALA A 19 3.279 2.255 1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.851 2.101 3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.035 1.443 2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.727 0.340 3.609 1.00 0.00 H new ATOM 294 N ARG A 20 4.716 -0.118 3.597 1.00 0.00 N ATOM 295 CA ARG A 20 5.833 -0.392 4.493 1.00 0.00 C ATOM 296 C ARG A 20 7.149 0.046 3.847 1.00 0.00 C ATOM 297 O ARG A 20 8.007 0.635 4.504 1.00 0.00 O ATOM 298 CB ARG A 20 5.890 -1.886 4.816 1.00 0.00 C ATOM 299 CG ARG A 20 4.532 -2.344 5.351 1.00 0.00 C ATOM 300 CD ARG A 20 4.671 -3.736 5.968 1.00 0.00 C ATOM 301 NE ARG A 20 3.372 -4.217 6.426 1.00 0.00 N ATOM 302 CZ ARG A 20 3.193 -5.489 6.766 1.00 0.00 C ATOM 303 NH1 ARG A 20 4.190 -6.327 6.699 1.00 0.00 N ATOM 304 NH2 ARG A 20 2.021 -5.899 7.169 1.00 0.00 N ATOM 0 H ARG A 20 4.256 -0.947 3.221 1.00 0.00 H new ATOM 0 HA ARG A 20 5.686 0.170 5.416 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.151 -2.453 3.922 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.668 -2.080 5.554 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.166 -1.639 6.097 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.799 -2.363 4.544 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.085 -4.427 5.234 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.370 -3.703 6.804 1.00 0.00 H new ATOM 0 HE ARG A 20 2.589 -3.566 6.486 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.106 -6.006 6.386 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.054 -7.304 6.960 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.242 -5.243 7.223 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.884 -6.876 7.430 1.00 0.00 H new ATOM 318 N ALA A 21 7.297 -0.244 2.555 1.00 0.00 N ATOM 319 CA ALA A 21 8.507 0.128 1.824 1.00 0.00 C ATOM 320 C ALA A 21 8.727 1.625 1.893 1.00 0.00 C ATOM 321 O ALA A 21 9.730 2.137 1.398 1.00 0.00 O ATOM 322 CB ALA A 21 8.370 -0.249 0.349 1.00 0.00 C ATOM 0 H ALA A 21 6.598 -0.733 1.996 1.00 0.00 H new ATOM 0 HA ALA A 21 9.345 -0.401 2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.278 0.033 -0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.217 -1.325 0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.517 0.275 -0.083 1.00 0.00 H new ATOM 328 N LEU A 22 7.770 2.322 2.482 1.00 0.00 N ATOM 329 CA LEU A 22 7.827 3.772 2.589 1.00 0.00 C ATOM 330 C LEU A 22 7.935 4.187 4.062 1.00 0.00 C ATOM 331 O LEU A 22 7.409 3.500 4.938 1.00 0.00 O ATOM 332 CB LEU A 22 6.544 4.351 1.990 1.00 0.00 C ATOM 333 CG LEU A 22 6.217 3.672 0.642 1.00 0.00 C ATOM 334 CD1 LEU A 22 4.836 4.135 0.150 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.300 4.018 -0.406 1.00 0.00 C ATOM 0 H LEU A 22 6.937 1.904 2.897 1.00 0.00 H new ATOM 0 HA LEU A 22 8.699 4.147 2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.716 4.209 2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.657 5.425 1.844 1.00 0.00 H new ATOM 0 HG LEU A 22 6.201 2.591 0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.609 3.654 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.078 3.863 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.841 5.217 0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.059 3.534 -1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.335 5.098 -0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.271 3.667 -0.056 1.00 0.00 H new ATOM 347 N PRO A 23 8.594 5.283 4.358 1.00 0.00 N ATOM 348 CA PRO A 23 8.749 5.765 5.766 1.00 0.00 C ATOM 349 C PRO A 23 7.420 6.231 6.374 1.00 0.00 C ATOM 350 O PRO A 23 6.687 5.435 6.961 1.00 0.00 O ATOM 351 CB PRO A 23 9.751 6.925 5.642 1.00 0.00 C ATOM 352 CG PRO A 23 9.594 7.416 4.241 1.00 0.00 C ATOM 353 CD PRO A 23 9.267 6.182 3.402 1.00 0.00 C ATOM 0 HA PRO A 23 9.090 4.976 6.436 1.00 0.00 H new ATOM 0 HB2 PRO A 23 9.535 7.713 6.364 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.770 6.589 5.832 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.798 8.157 4.173 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.507 7.897 3.890 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.620 6.429 2.560 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.168 5.727 2.989 1.00 0.00 H new ATOM 361 N GLY A 24 7.127 7.526 6.247 1.00 0.00 N ATOM 362 CA GLY A 24 5.895 8.095 6.805 1.00 0.00 C ATOM 363 C GLY A 24 4.826 8.299 5.735 1.00 0.00 C ATOM 364 O GLY A 24 4.195 9.354 5.673 1.00 0.00 O ATOM 0 H GLY A 24 7.722 8.200 5.765 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.510 7.435 7.582 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.119 9.050 7.281 1.00 0.00 H new ATOM 368 N THR A 25 4.618 7.283 4.897 1.00 0.00 N ATOM 369 CA THR A 25 3.610 7.355 3.830 1.00 0.00 C ATOM 370 C THR A 25 2.542 6.283 4.034 1.00 0.00 C ATOM 371 O THR A 25 2.844 5.161 4.440 1.00 0.00 O ATOM 372 CB THR A 25 4.281 7.147 2.472 1.00 0.00 C ATOM 373 OG1 THR A 25 5.464 7.931 2.402 1.00 0.00 O ATOM 374 CG2 THR A 25 3.329 7.556 1.347 1.00 0.00 C ATOM 0 H THR A 25 5.130 6.402 4.933 1.00 0.00 H new ATOM 0 HA THR A 25 3.139 8.337 3.862 1.00 0.00 H new ATOM 0 HB THR A 25 4.533 6.093 2.358 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.895 7.796 1.532 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.817 7.404 0.384 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.425 6.948 1.396 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.065 8.608 1.458 1.00 0.00 H new ATOM 382 N THR A 26 1.290 6.636 3.747 1.00 0.00 N ATOM 383 CA THR A 26 0.173 5.701 3.897 1.00 0.00 C ATOM 384 C THR A 26 -0.138 5.024 2.562 1.00 0.00 C ATOM 385 O THR A 26 0.225 5.519 1.496 1.00 0.00 O ATOM 386 CB THR A 26 -1.076 6.467 4.407 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.841 7.861 4.292 1.00 0.00 O ATOM 388 CG2 THR A 26 -1.357 6.128 5.874 1.00 0.00 C ATOM 0 H THR A 26 1.023 7.561 3.410 1.00 0.00 H new ATOM 0 HA THR A 26 0.447 4.932 4.619 1.00 0.00 H new ATOM 0 HB THR A 26 -1.938 6.174 3.807 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.627 8.353 4.611 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.237 6.676 6.212 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.536 5.057 5.972 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.498 6.409 6.483 1.00 0.00 H new ATOM 396 N VAL A 27 -0.809 3.885 2.635 1.00 0.00 N ATOM 397 CA VAL A 27 -1.166 3.152 1.433 1.00 0.00 C ATOM 398 C VAL A 27 -1.936 4.053 0.480 1.00 0.00 C ATOM 399 O VAL A 27 -1.608 4.158 -0.701 1.00 0.00 O ATOM 400 CB VAL A 27 -2.046 1.948 1.778 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.254 1.102 0.522 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.389 1.091 2.867 1.00 0.00 C ATOM 0 H VAL A 27 -1.115 3.452 3.506 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.244 2.809 0.963 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.005 2.308 2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.880 0.243 0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.741 1.704 -0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.289 0.756 0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.031 0.241 3.097 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.423 0.731 2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.246 1.691 3.765 1.00 0.00 H new ATOM 412 N GLY A 28 -2.979 4.684 1.005 1.00 0.00 N ATOM 413 CA GLY A 28 -3.816 5.557 0.198 1.00 0.00 C ATOM 414 C GLY A 28 -3.159 6.908 -0.055 1.00 0.00 C ATOM 415 O GLY A 28 -3.767 7.785 -0.668 1.00 0.00 O ATOM 0 H GLY A 28 -3.263 4.607 1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.029 5.074 -0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.772 5.708 0.700 1.00 0.00 H new ATOM 419 N GLN A 29 -1.920 7.090 0.409 1.00 0.00 N ATOM 420 CA GLN A 29 -1.233 8.366 0.199 1.00 0.00 C ATOM 421 C GLN A 29 -0.469 8.332 -1.124 1.00 0.00 C ATOM 422 O GLN A 29 -0.141 9.379 -1.681 1.00 0.00 O ATOM 423 CB GLN A 29 -0.273 8.657 1.383 1.00 0.00 C ATOM 424 CG GLN A 29 -0.869 9.724 2.313 1.00 0.00 C ATOM 425 CD GLN A 29 -0.959 11.063 1.586 1.00 0.00 C ATOM 426 OE1 GLN A 29 -0.574 11.164 0.421 1.00 0.00 O ATOM 427 NE2 GLN A 29 -1.447 12.102 2.206 1.00 0.00 N ATOM 0 H GLN A 29 -1.383 6.389 0.920 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.970 9.168 0.153 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.090 7.740 1.943 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.690 8.996 1.002 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.860 9.415 2.646 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.251 9.826 3.205 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.766 12.017 3.171 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.510 13.000 1.726 1.00 0.00 H new ATOM 436 N LEU A 30 -0.192 7.128 -1.627 1.00 0.00 N ATOM 437 CA LEU A 30 0.534 6.983 -2.890 1.00 0.00 C ATOM 438 C LEU A 30 -0.445 6.806 -4.055 1.00 0.00 C ATOM 439 O LEU A 30 -0.135 7.157 -5.193 1.00 0.00 O ATOM 440 CB LEU A 30 1.494 5.774 -2.803 1.00 0.00 C ATOM 441 CG LEU A 30 2.799 6.059 -3.565 1.00 0.00 C ATOM 442 CD1 LEU A 30 3.712 4.834 -3.481 1.00 0.00 C ATOM 443 CD2 LEU A 30 2.492 6.369 -5.037 1.00 0.00 C ATOM 0 H LEU A 30 -0.456 6.248 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 30 1.116 7.887 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.717 5.555 -1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.011 4.889 -3.218 1.00 0.00 H new ATOM 0 HG LEU A 30 3.295 6.920 -3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.638 5.033 -4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.939 4.620 -2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.210 3.975 -3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.422 6.569 -5.568 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.991 5.514 -5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.844 7.244 -5.097 1.00 0.00 H new ATOM 455 N LEU A 31 -1.630 6.263 -3.775 1.00 0.00 N ATOM 456 CA LEU A 31 -2.627 6.054 -4.822 1.00 0.00 C ATOM 457 C LEU A 31 -3.421 7.332 -5.080 1.00 0.00 C ATOM 458 O LEU A 31 -3.717 7.666 -6.226 1.00 0.00 O ATOM 459 CB LEU A 31 -3.585 4.932 -4.411 1.00 0.00 C ATOM 460 CG LEU A 31 -2.789 3.734 -3.886 1.00 0.00 C ATOM 461 CD1 LEU A 31 -3.757 2.617 -3.485 1.00 0.00 C ATOM 462 CD2 LEU A 31 -1.840 3.223 -4.979 1.00 0.00 C ATOM 0 H LEU A 31 -1.920 5.964 -2.844 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.107 5.776 -5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.270 5.290 -3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.193 4.630 -5.264 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.205 4.040 -3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.192 1.763 -3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.427 2.979 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.342 2.313 -4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.275 2.371 -4.601 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.419 2.917 -5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.150 4.018 -5.263 1.00 0.00 H new ATOM 715 N LEU A 47 -1.258 0.205 -13.623 1.00 0.00 N ATOM 716 CA LEU A 47 -0.241 0.926 -12.864 1.00 0.00 C ATOM 717 C LEU A 47 1.055 1.026 -13.671 1.00 0.00 C ATOM 718 O LEU A 47 1.784 2.012 -13.564 1.00 0.00 O ATOM 719 CB LEU A 47 0.035 0.216 -11.521 1.00 0.00 C ATOM 720 CG LEU A 47 -0.984 0.648 -10.453 1.00 0.00 C ATOM 721 CD1 LEU A 47 -2.340 0.002 -10.738 1.00 0.00 C ATOM 722 CD2 LEU A 47 -0.488 0.196 -9.076 1.00 0.00 C ATOM 0 HA LEU A 47 -0.613 1.931 -12.663 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.013 -0.864 -11.659 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.044 0.450 -11.182 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.092 1.732 -10.473 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.057 0.312 -9.978 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.693 0.316 -11.720 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.237 -1.083 -10.719 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.205 0.499 -8.313 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.383 -0.889 -9.065 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.478 0.656 -8.868 1.00 0.00 H new ATOM 734 N GLN A 48 1.338 0.004 -14.473 1.00 0.00 N ATOM 735 CA GLN A 48 2.552 0.003 -15.282 1.00 0.00 C ATOM 736 C GLN A 48 2.455 1.046 -16.387 1.00 0.00 C ATOM 737 O GLN A 48 2.388 0.709 -17.569 1.00 0.00 O ATOM 738 CB GLN A 48 2.769 -1.380 -15.902 1.00 0.00 C ATOM 739 CG GLN A 48 2.798 -2.443 -14.802 1.00 0.00 C ATOM 740 CD GLN A 48 2.628 -3.829 -15.412 1.00 0.00 C ATOM 741 OE1 GLN A 48 2.245 -4.771 -14.719 1.00 0.00 O ATOM 742 NE2 GLN A 48 2.891 -4.010 -16.677 1.00 0.00 N ATOM 0 H GLN A 48 0.752 -0.824 -14.580 1.00 0.00 H new ATOM 0 HA GLN A 48 3.396 0.247 -14.637 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.971 -1.600 -16.612 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.705 -1.396 -16.460 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.741 -2.389 -14.258 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.003 -2.254 -14.081 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.208 -3.227 -17.249 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.779 -4.934 -17.094 1.00 0.00 H new ATOM 751 N GLY A 49 2.444 2.315 -15.995 1.00 0.00 N ATOM 752 CA GLY A 49 2.351 3.406 -16.960 1.00 0.00 C ATOM 753 C GLY A 49 2.939 4.686 -16.382 1.00 0.00 C ATOM 754 O GLY A 49 2.778 5.766 -16.951 1.00 0.00 O ATOM 0 H GLY A 49 2.498 2.614 -15.021 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.881 3.136 -17.874 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.308 3.569 -17.233 1.00 0.00 H new ATOM 758 N VAL A 50 3.624 4.555 -15.246 1.00 0.00 N ATOM 759 CA VAL A 50 4.244 5.706 -14.583 1.00 0.00 C ATOM 760 C VAL A 50 5.721 5.409 -14.308 1.00 0.00 C ATOM 761 O VAL A 50 6.179 4.282 -14.493 1.00 0.00 O ATOM 762 CB VAL A 50 3.463 6.030 -13.275 1.00 0.00 C ATOM 763 CG1 VAL A 50 4.115 5.375 -12.043 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.407 7.546 -13.059 1.00 0.00 C ATOM 0 H VAL A 50 3.764 3.666 -14.765 1.00 0.00 H new ATOM 0 HA VAL A 50 4.198 6.583 -15.228 1.00 0.00 H new ATOM 0 HB VAL A 50 2.457 5.627 -13.390 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.540 5.625 -11.151 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.132 4.293 -12.172 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.135 5.743 -11.932 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.859 7.763 -12.142 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.420 7.940 -12.978 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.902 8.015 -13.903 1.00 0.00 H new ATOM 774 N SER A 51 6.459 6.425 -13.862 1.00 0.00 N ATOM 775 CA SER A 51 7.884 6.266 -13.557 1.00 0.00 C ATOM 776 C SER A 51 8.097 6.442 -12.063 1.00 0.00 C ATOM 777 O SER A 51 7.245 7.007 -11.387 1.00 0.00 O ATOM 778 CB SER A 51 8.702 7.309 -14.322 1.00 0.00 C ATOM 779 OG SER A 51 8.428 7.195 -15.712 1.00 0.00 O ATOM 0 H SER A 51 6.097 7.365 -13.704 1.00 0.00 H new ATOM 0 HA SER A 51 8.211 5.271 -13.859 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.453 8.311 -13.972 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.766 7.161 -14.136 1.00 0.00 H new ATOM 0 HG SER A 51 8.949 7.863 -16.204 1.00 0.00 H new ATOM 785 N VAL A 52 9.235 5.972 -11.556 1.00 0.00 N ATOM 786 CA VAL A 52 9.534 6.097 -10.131 1.00 0.00 C ATOM 787 C VAL A 52 9.442 7.566 -9.691 1.00 0.00 C ATOM 788 O VAL A 52 8.993 7.867 -8.586 1.00 0.00 O ATOM 789 CB VAL A 52 10.946 5.528 -9.841 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.586 6.231 -8.634 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.851 4.024 -9.544 1.00 0.00 C ATOM 0 H VAL A 52 9.958 5.506 -12.104 1.00 0.00 H new ATOM 0 HA VAL A 52 8.800 5.526 -9.562 1.00 0.00 H new ATOM 0 HB VAL A 52 11.565 5.700 -10.722 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.576 5.813 -8.452 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.675 7.298 -8.839 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.962 6.082 -7.753 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.847 3.630 -9.341 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.213 3.864 -8.675 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.426 3.509 -10.405 1.00 0.00 H new ATOM 801 N THR A 53 9.894 8.465 -10.557 1.00 0.00 N ATOM 802 CA THR A 53 9.890 9.895 -10.251 1.00 0.00 C ATOM 803 C THR A 53 8.483 10.423 -9.958 1.00 0.00 C ATOM 804 O THR A 53 8.332 11.411 -9.255 1.00 0.00 O ATOM 805 CB THR A 53 10.492 10.674 -11.432 1.00 0.00 C ATOM 806 OG1 THR A 53 11.906 10.530 -11.417 1.00 0.00 O ATOM 807 CG2 THR A 53 10.128 12.163 -11.329 1.00 0.00 C ATOM 0 H THR A 53 10.268 8.232 -11.477 1.00 0.00 H new ATOM 0 HA THR A 53 10.490 10.039 -9.352 1.00 0.00 H new ATOM 0 HB THR A 53 10.089 10.276 -12.363 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.293 11.024 -12.170 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.561 12.702 -12.172 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.044 12.274 -11.345 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.521 12.570 -10.397 1.00 0.00 H new ATOM 815 N ASP A 54 7.468 9.790 -10.507 1.00 0.00 N ATOM 816 CA ASP A 54 6.101 10.249 -10.295 1.00 0.00 C ATOM 817 C ASP A 54 5.613 9.889 -8.894 1.00 0.00 C ATOM 818 O ASP A 54 4.771 10.580 -8.319 1.00 0.00 O ATOM 819 CB ASP A 54 5.182 9.622 -11.336 1.00 0.00 C ATOM 820 CG ASP A 54 3.843 10.353 -11.368 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.732 11.311 -12.115 1.00 0.00 O ATOM 822 OD2 ASP A 54 2.949 9.944 -10.647 1.00 0.00 O ATOM 0 H ASP A 54 7.556 8.964 -11.099 1.00 0.00 H new ATOM 0 HA ASP A 54 6.084 11.334 -10.395 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.651 9.665 -12.319 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.024 8.569 -11.104 1.00 0.00 H new ATOM 827 N LEU A 55 6.120 8.786 -8.364 1.00 0.00 N ATOM 828 CA LEU A 55 5.708 8.315 -7.040 1.00 0.00 C ATOM 829 C LEU A 55 6.158 9.263 -5.922 1.00 0.00 C ATOM 830 O LEU A 55 5.324 9.812 -5.208 1.00 0.00 O ATOM 831 CB LEU A 55 6.280 6.916 -6.762 1.00 0.00 C ATOM 832 CG LEU A 55 5.681 5.880 -7.733 1.00 0.00 C ATOM 833 CD1 LEU A 55 6.086 6.206 -9.175 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.200 4.485 -7.353 1.00 0.00 C ATOM 0 H LEU A 55 6.815 8.199 -8.824 1.00 0.00 H new ATOM 0 HA LEU A 55 4.619 8.281 -7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.365 6.934 -6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.063 6.626 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 55 4.594 5.905 -7.664 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.656 5.466 -9.850 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.718 7.197 -9.441 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.172 6.187 -9.261 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.782 3.743 -8.034 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.288 4.470 -7.423 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.899 4.250 -6.332 1.00 0.00 H new ATOM 846 N LYS A 56 7.474 9.431 -5.753 1.00 0.00 N ATOM 847 CA LYS A 56 8.001 10.289 -4.681 1.00 0.00 C ATOM 848 C LYS A 56 7.418 11.702 -4.709 1.00 0.00 C ATOM 849 O LYS A 56 7.211 12.312 -3.659 1.00 0.00 O ATOM 850 CB LYS A 56 9.525 10.393 -4.779 1.00 0.00 C ATOM 851 CG LYS A 56 10.039 11.256 -3.622 1.00 0.00 C ATOM 852 CD LYS A 56 11.553 11.077 -3.451 1.00 0.00 C ATOM 853 CE LYS A 56 12.268 11.244 -4.797 1.00 0.00 C ATOM 854 NZ LYS A 56 13.682 11.644 -4.550 1.00 0.00 N ATOM 0 H LYS A 56 8.187 8.992 -6.335 1.00 0.00 H new ATOM 0 HA LYS A 56 7.705 9.817 -3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.974 9.401 -4.737 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.812 10.833 -5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.810 12.304 -3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.528 10.981 -2.700 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.933 11.808 -2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.764 10.090 -3.040 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.234 10.311 -5.360 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.763 11.999 -5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.209 11.628 -5.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.707 12.604 -4.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.119 10.980 -3.880 1.00 0.00 H new ATOM 868 N ILE A 57 7.160 12.222 -5.899 1.00 0.00 N ATOM 869 CA ILE A 57 6.610 13.568 -6.026 1.00 0.00 C ATOM 870 C ILE A 57 5.114 13.555 -5.748 1.00 0.00 C ATOM 871 O ILE A 57 4.526 14.586 -5.444 1.00 0.00 O ATOM 872 CB ILE A 57 6.913 14.130 -7.421 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.094 13.374 -8.475 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.408 13.948 -7.698 1.00 0.00 C ATOM 875 CD1 ILE A 57 6.477 13.834 -9.891 1.00 0.00 C ATOM 0 H ILE A 57 7.320 11.741 -6.784 1.00 0.00 H new ATOM 0 HA ILE A 57 7.081 14.218 -5.289 1.00 0.00 H new ATOM 0 HB ILE A 57 6.648 15.186 -7.466 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.265 12.302 -8.376 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.030 13.543 -8.307 1.00 0.00 H new ATOM 0 HG21 ILE A 57 8.645 14.341 -8.686 1.00 0.00 H new ATOM 0 HG22 ILE A 57 8.985 14.485 -6.945 1.00 0.00 H new ATOM 0 HG23 ILE A 57 8.659 12.888 -7.660 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.885 13.286 -10.624 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.282 14.902 -9.992 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.536 13.641 -10.062 1.00 0.00 H new ATOM 887 N GLY A 58 4.507 12.378 -5.845 1.00 0.00 N ATOM 888 CA GLY A 58 3.078 12.247 -5.592 1.00 0.00 C ATOM 889 C GLY A 58 2.745 12.517 -4.125 1.00 0.00 C ATOM 890 O GLY A 58 1.675 13.042 -3.814 1.00 0.00 O ATOM 0 H GLY A 58 4.977 11.508 -6.095 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.529 12.944 -6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.749 11.244 -5.863 1.00 0.00 H new ATOM 894 N LEU A 59 3.656 12.151 -3.223 1.00 0.00 N ATOM 895 CA LEU A 59 3.424 12.359 -1.795 1.00 0.00 C ATOM 896 C LEU A 59 3.654 13.813 -1.413 1.00 0.00 C ATOM 897 O LEU A 59 2.772 14.454 -0.841 1.00 0.00 O ATOM 898 CB LEU A 59 4.338 11.461 -0.949 1.00 0.00 C ATOM 899 CG LEU A 59 4.111 9.969 -1.272 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.618 9.615 -1.154 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.614 9.640 -2.690 1.00 0.00 C ATOM 0 H LEU A 59 4.549 11.715 -3.452 1.00 0.00 H new ATOM 0 HA LEU A 59 2.385 12.096 -1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.380 11.721 -1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.148 11.639 0.109 1.00 0.00 H new ATOM 0 HG LEU A 59 4.674 9.376 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.475 8.559 -1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.276 9.814 -0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.044 10.221 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.446 8.584 -2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.073 10.245 -3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.680 9.858 -2.758 1.00 0.00 H new ATOM 913 N ALA A 60 4.830 14.344 -1.729 1.00 0.00 N ATOM 914 CA ALA A 60 5.121 15.731 -1.403 1.00 0.00 C ATOM 915 C ALA A 60 4.371 16.655 -2.349 1.00 0.00 C ATOM 916 O ALA A 60 3.973 17.757 -1.970 1.00 0.00 O ATOM 917 CB ALA A 60 6.622 15.998 -1.511 1.00 0.00 C ATOM 0 H ALA A 60 5.583 13.844 -2.202 1.00 0.00 H new ATOM 0 HA ALA A 60 4.799 15.922 -0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.825 17.040 -1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.158 15.350 -0.817 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.955 15.795 -2.529 1.00 0.00 H new ATOM 923 N GLY A 61 4.181 16.204 -3.588 1.00 0.00 N ATOM 924 CA GLY A 61 3.474 17.017 -4.571 1.00 0.00 C ATOM 925 C GLY A 61 4.398 18.073 -5.162 1.00 0.00 C ATOM 926 O GLY A 61 4.010 18.813 -6.067 1.00 0.00 O ATOM 0 H GLY A 61 4.501 15.297 -3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.087 16.380 -5.366 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.616 17.499 -4.102 1.00 0.00 H new ATOM 930 N SER A 62 5.627 18.147 -4.644 1.00 0.00 N ATOM 931 CA SER A 62 6.598 19.129 -5.130 1.00 0.00 C ATOM 932 C SER A 62 7.978 18.514 -5.289 1.00 0.00 C ATOM 933 O SER A 62 8.741 18.412 -4.329 1.00 0.00 O ATOM 934 CB SER A 62 6.675 20.310 -4.161 1.00 0.00 C ATOM 935 OG SER A 62 7.819 21.095 -4.468 1.00 0.00 O ATOM 0 H SER A 62 5.970 17.545 -3.896 1.00 0.00 H new ATOM 0 HA SER A 62 6.262 19.474 -6.108 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.773 20.917 -4.236 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.732 19.950 -3.134 1.00 0.00 H new ATOM 0 HG SER A 62 8.178 21.486 -3.644 1.00 0.00 H new ATOM 941 N GLU A 63 8.300 18.121 -6.519 1.00 0.00 N ATOM 942 CA GLU A 63 9.598 17.533 -6.810 1.00 0.00 C ATOM 943 C GLU A 63 10.713 18.448 -6.321 1.00 0.00 C ATOM 944 O GLU A 63 11.888 18.085 -6.351 1.00 0.00 O ATOM 945 CB GLU A 63 9.740 17.295 -8.317 1.00 0.00 C ATOM 946 CG GLU A 63 11.086 16.622 -8.615 1.00 0.00 C ATOM 947 CD GLU A 63 11.057 15.980 -9.998 1.00 0.00 C ATOM 948 OE1 GLU A 63 10.505 16.587 -10.900 1.00 0.00 O ATOM 949 OE2 GLU A 63 11.589 14.890 -10.135 1.00 0.00 O ATOM 0 H GLU A 63 7.680 18.200 -7.325 1.00 0.00 H new ATOM 0 HA GLU A 63 9.674 16.578 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.923 16.668 -8.673 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.671 18.242 -8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.888 17.358 -8.564 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.298 15.866 -7.859 1.00 0.00 H new ATOM 956 N GLU A 64 10.334 19.631 -5.854 1.00 0.00 N ATOM 957 CA GLU A 64 11.303 20.588 -5.341 1.00 0.00 C ATOM 958 C GLU A 64 11.587 20.319 -3.866 1.00 0.00 C ATOM 959 O GLU A 64 12.732 20.415 -3.420 1.00 0.00 O ATOM 960 CB GLU A 64 10.759 22.011 -5.509 1.00 0.00 C ATOM 961 CG GLU A 64 11.846 23.033 -5.161 1.00 0.00 C ATOM 962 CD GLU A 64 12.966 22.980 -6.195 1.00 0.00 C ATOM 963 OE1 GLU A 64 12.663 23.074 -7.373 1.00 0.00 O ATOM 964 OE2 GLU A 64 14.110 22.846 -5.793 1.00 0.00 O ATOM 0 H GLU A 64 9.365 19.949 -5.820 1.00 0.00 H new ATOM 0 HA GLU A 64 12.231 20.483 -5.902 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.422 22.161 -6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.892 22.156 -4.864 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.417 24.035 -5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.247 22.826 -4.169 1.00 0.00 H new ATOM 971 N ASP A 65 10.538 20.007 -3.099 1.00 0.00 N ATOM 972 CA ASP A 65 10.686 19.760 -1.662 1.00 0.00 C ATOM 973 C ASP A 65 10.898 18.280 -1.336 1.00 0.00 C ATOM 974 O ASP A 65 11.297 17.948 -0.221 1.00 0.00 O ATOM 975 CB ASP A 65 9.431 20.258 -0.935 1.00 0.00 C ATOM 976 CG ASP A 65 9.422 21.784 -0.887 1.00 0.00 C ATOM 977 OD1 ASP A 65 9.040 22.385 -1.878 1.00 0.00 O ATOM 978 OD2 ASP A 65 9.796 22.326 0.140 1.00 0.00 O ATOM 0 H ASP A 65 9.583 19.920 -3.446 1.00 0.00 H new ATOM 0 HA ASP A 65 11.573 20.298 -1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.538 19.897 -1.446 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.404 19.855 0.077 1.00 0.00 H new ATOM 983 N VAL A 66 10.632 17.386 -2.279 1.00 0.00 N ATOM 984 CA VAL A 66 10.811 15.963 -2.002 1.00 0.00 C ATOM 985 C VAL A 66 12.178 15.708 -1.379 1.00 0.00 C ATOM 986 O VAL A 66 12.396 14.686 -0.726 1.00 0.00 O ATOM 987 CB VAL A 66 10.674 15.127 -3.274 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.221 15.108 -3.722 1.00 0.00 C ATOM 989 CG2 VAL A 66 11.519 15.717 -4.395 1.00 0.00 C ATOM 0 H VAL A 66 10.301 17.609 -3.218 1.00 0.00 H new ATOM 0 HA VAL A 66 10.029 15.667 -1.302 1.00 0.00 H new ATOM 0 HB VAL A 66 11.015 14.115 -3.056 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.128 14.511 -4.629 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.604 14.673 -2.936 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.889 16.127 -3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.409 15.108 -5.293 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.188 16.734 -4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.566 15.731 -4.093 1.00 0.00 H new ATOM 999 N ASP A 67 13.094 16.640 -1.594 1.00 0.00 N ATOM 1000 CA ASP A 67 14.444 16.514 -1.059 1.00 0.00 C ATOM 1001 C ASP A 67 14.421 16.276 0.450 1.00 0.00 C ATOM 1002 O ASP A 67 15.272 15.564 0.983 1.00 0.00 O ATOM 1003 CB ASP A 67 15.244 17.782 -1.364 1.00 0.00 C ATOM 1004 CG ASP A 67 15.095 18.147 -2.837 1.00 0.00 C ATOM 1005 OD1 ASP A 67 15.192 17.253 -3.661 1.00 0.00 O ATOM 1006 OD2 ASP A 67 14.885 19.316 -3.119 1.00 0.00 O ATOM 0 H ASP A 67 12.929 17.490 -2.133 1.00 0.00 H new ATOM 0 HA ASP A 67 14.917 15.655 -1.535 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.893 18.603 -0.739 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.296 17.626 -1.123 1.00 0.00 H new ATOM 1011 N MET A 68 13.451 16.879 1.140 1.00 0.00 N ATOM 1012 CA MET A 68 13.346 16.719 2.594 1.00 0.00 C ATOM 1013 C MET A 68 12.418 15.563 2.957 1.00 0.00 C ATOM 1014 O MET A 68 12.533 14.984 4.036 1.00 0.00 O ATOM 1015 CB MET A 68 12.831 18.013 3.241 1.00 0.00 C ATOM 1016 CG MET A 68 11.600 18.536 2.488 1.00 0.00 C ATOM 1017 SD MET A 68 10.573 19.505 3.621 1.00 0.00 S ATOM 1018 CE MET A 68 11.364 21.107 3.334 1.00 0.00 C ATOM 0 H MET A 68 12.735 17.475 0.724 1.00 0.00 H new ATOM 0 HA MET A 68 14.343 16.497 2.974 1.00 0.00 H new ATOM 0 HB2 MET A 68 12.575 17.828 4.284 1.00 0.00 H new ATOM 0 HB3 MET A 68 13.617 18.768 3.234 1.00 0.00 H new ATOM 0 HG2 MET A 68 11.910 19.151 1.644 1.00 0.00 H new ATOM 0 HG3 MET A 68 11.027 17.703 2.082 1.00 0.00 H new ATOM 0 HE1 MET A 68 10.878 21.867 3.945 1.00 0.00 H new ATOM 0 HE2 MET A 68 12.419 21.045 3.602 1.00 0.00 H new ATOM 0 HE3 MET A 68 11.272 21.375 2.281 1.00 0.00 H new ATOM 1028 N LEU A 69 11.501 15.224 2.055 1.00 0.00 N ATOM 1029 CA LEU A 69 10.573 14.127 2.312 1.00 0.00 C ATOM 1030 C LEU A 69 11.345 12.897 2.785 1.00 0.00 C ATOM 1031 O LEU A 69 12.237 12.407 2.091 1.00 0.00 O ATOM 1032 CB LEU A 69 9.779 13.805 1.036 1.00 0.00 C ATOM 1033 CG LEU A 69 8.700 12.737 1.311 1.00 0.00 C ATOM 1034 CD1 LEU A 69 7.522 13.346 2.087 1.00 0.00 C ATOM 1035 CD2 LEU A 69 8.185 12.187 -0.024 1.00 0.00 C ATOM 0 H LEU A 69 11.381 15.685 1.153 1.00 0.00 H new ATOM 0 HA LEU A 69 9.873 14.422 3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.309 14.713 0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.458 13.450 0.261 1.00 0.00 H new ATOM 0 HG LEU A 69 9.142 11.938 1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.771 12.577 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.878 13.741 3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.079 14.153 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.422 11.432 0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.755 12.999 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.011 11.739 -0.576 1.00 0.00 H new ATOM 1047 N ASP A 70 11.003 12.418 3.979 1.00 0.00 N ATOM 1048 CA ASP A 70 11.668 11.253 4.566 1.00 0.00 C ATOM 1049 C ASP A 70 12.038 10.219 3.500 1.00 0.00 C ATOM 1050 O ASP A 70 13.021 9.493 3.646 1.00 0.00 O ATOM 1051 CB ASP A 70 10.748 10.609 5.609 1.00 0.00 C ATOM 1052 CG ASP A 70 9.321 10.546 5.076 1.00 0.00 C ATOM 1053 OD1 ASP A 70 9.162 10.510 3.867 1.00 0.00 O ATOM 1054 OD2 ASP A 70 8.408 10.534 5.885 1.00 0.00 O ATOM 0 H ASP A 70 10.268 12.819 4.561 1.00 0.00 H new ATOM 0 HA ASP A 70 12.589 11.593 5.039 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.101 9.606 5.847 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.774 11.184 6.534 1.00 0.00 H new ATOM 1059 N THR A 71 11.248 10.155 2.435 1.00 0.00 N ATOM 1060 CA THR A 71 11.509 9.203 1.363 1.00 0.00 C ATOM 1061 C THR A 71 12.989 9.277 0.937 1.00 0.00 C ATOM 1062 O THR A 71 13.426 10.307 0.424 1.00 0.00 O ATOM 1063 CB THR A 71 10.601 9.521 0.169 1.00 0.00 C ATOM 1064 OG1 THR A 71 9.331 9.928 0.652 1.00 0.00 O ATOM 1065 CG2 THR A 71 10.433 8.278 -0.706 1.00 0.00 C ATOM 0 H THR A 71 10.429 10.745 2.291 1.00 0.00 H new ATOM 0 HA THR A 71 11.300 8.194 1.718 1.00 0.00 H new ATOM 0 HB THR A 71 11.050 10.317 -0.425 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.628 9.544 0.087 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.787 8.513 -1.552 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.408 7.957 -1.073 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.985 7.477 -0.118 1.00 0.00 H new ATOM 1073 N PRO A 72 13.774 8.234 1.143 1.00 0.00 N ATOM 1074 CA PRO A 72 15.223 8.243 0.774 1.00 0.00 C ATOM 1075 C PRO A 72 15.467 7.977 -0.715 1.00 0.00 C ATOM 1076 O PRO A 72 16.568 7.593 -1.106 1.00 0.00 O ATOM 1077 CB PRO A 72 15.799 7.113 1.632 1.00 0.00 C ATOM 1078 CG PRO A 72 14.685 6.121 1.740 1.00 0.00 C ATOM 1079 CD PRO A 72 13.388 6.938 1.746 1.00 0.00 C ATOM 0 HA PRO A 72 15.683 9.216 0.949 1.00 0.00 H new ATOM 0 HB2 PRO A 72 16.680 6.671 1.167 1.00 0.00 H new ATOM 0 HB3 PRO A 72 16.104 7.476 2.614 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.702 5.423 0.903 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.777 5.529 2.651 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.605 6.447 1.168 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.004 7.068 2.758 1.00 0.00 H new ATOM 1087 N MET A 73 14.441 8.178 -1.537 1.00 0.00 N ATOM 1088 CA MET A 73 14.571 7.949 -2.977 1.00 0.00 C ATOM 1089 C MET A 73 14.802 6.467 -3.273 1.00 0.00 C ATOM 1090 O MET A 73 14.699 6.034 -4.419 1.00 0.00 O ATOM 1091 CB MET A 73 15.739 8.773 -3.541 1.00 0.00 C ATOM 1092 CG MET A 73 15.574 8.949 -5.056 1.00 0.00 C ATOM 1093 SD MET A 73 17.099 9.631 -5.754 1.00 0.00 S ATOM 1094 CE MET A 73 17.097 11.193 -4.838 1.00 0.00 C ATOM 0 H MET A 73 13.519 8.495 -1.238 1.00 0.00 H new ATOM 0 HA MET A 73 13.642 8.261 -3.455 1.00 0.00 H new ATOM 0 HB2 MET A 73 15.775 9.748 -3.055 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.684 8.274 -3.325 1.00 0.00 H new ATOM 0 HG2 MET A 73 15.345 7.990 -5.521 1.00 0.00 H new ATOM 0 HG3 MET A 73 14.736 9.614 -5.267 1.00 0.00 H new ATOM 0 HE1 MET A 73 17.046 12.026 -5.539 1.00 0.00 H new ATOM 0 HE2 MET A 73 16.233 11.224 -4.174 1.00 0.00 H new ATOM 0 HE3 MET A 73 18.011 11.271 -4.249 1.00 0.00 H new ATOM 1104 N SER A 74 15.111 5.693 -2.233 1.00 0.00 N ATOM 1105 CA SER A 74 15.352 4.259 -2.391 1.00 0.00 C ATOM 1106 C SER A 74 14.085 3.478 -2.069 1.00 0.00 C ATOM 1107 O SER A 74 13.978 2.289 -2.371 1.00 0.00 O ATOM 1108 CB SER A 74 16.474 3.816 -1.451 1.00 0.00 C ATOM 1109 OG SER A 74 16.606 2.402 -1.510 1.00 0.00 O ATOM 0 H SER A 74 15.200 6.033 -1.276 1.00 0.00 H new ATOM 0 HA SER A 74 15.643 4.063 -3.423 1.00 0.00 H new ATOM 0 HB2 SER A 74 17.412 4.292 -1.736 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.254 4.130 -0.431 1.00 0.00 H new ATOM 0 HG SER A 74 15.728 1.998 -1.670 1.00 0.00 H new ATOM 1115 N ALA A 75 13.131 4.158 -1.443 1.00 0.00 N ATOM 1116 CA ALA A 75 11.873 3.531 -1.068 1.00 0.00 C ATOM 1117 C ALA A 75 10.966 3.334 -2.279 1.00 0.00 C ATOM 1118 O ALA A 75 10.186 2.385 -2.323 1.00 0.00 O ATOM 1119 CB ALA A 75 11.166 4.384 -0.022 1.00 0.00 C ATOM 0 H ALA A 75 13.206 5.142 -1.186 1.00 0.00 H new ATOM 0 HA ALA A 75 12.094 2.548 -0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.224 3.912 0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.800 4.478 0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.968 5.374 -0.433 1.00 0.00 H new ATOM 1125 N LEU A 76 11.075 4.211 -3.272 1.00 0.00 N ATOM 1126 CA LEU A 76 10.251 4.056 -4.463 1.00 0.00 C ATOM 1127 C LEU A 76 10.665 2.777 -5.171 1.00 0.00 C ATOM 1128 O LEU A 76 9.837 1.911 -5.449 1.00 0.00 O ATOM 1129 CB LEU A 76 10.396 5.236 -5.443 1.00 0.00 C ATOM 1130 CG LEU A 76 10.079 6.612 -4.792 1.00 0.00 C ATOM 1131 CD1 LEU A 76 9.015 6.486 -3.690 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.368 7.245 -4.218 1.00 0.00 C ATOM 0 H LEU A 76 11.706 5.013 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 76 9.209 4.022 -4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.413 5.252 -5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.730 5.080 -6.291 1.00 0.00 H new ATOM 0 HG LEU A 76 9.678 7.261 -5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.820 7.468 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.094 6.088 -4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.375 5.813 -2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.130 8.208 -3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.793 6.584 -3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.091 7.390 -5.021 1.00 0.00 H new ATOM 1144 N LYS A 77 11.963 2.658 -5.445 1.00 0.00 N ATOM 1145 CA LYS A 77 12.487 1.471 -6.105 1.00 0.00 C ATOM 1146 C LYS A 77 11.914 0.226 -5.434 1.00 0.00 C ATOM 1147 O LYS A 77 11.597 -0.765 -6.093 1.00 0.00 O ATOM 1148 CB LYS A 77 14.019 1.434 -6.011 1.00 0.00 C ATOM 1149 CG LYS A 77 14.635 2.540 -6.884 1.00 0.00 C ATOM 1150 CD LYS A 77 14.266 3.925 -6.327 1.00 0.00 C ATOM 1151 CE LYS A 77 15.293 4.972 -6.786 1.00 0.00 C ATOM 1152 NZ LYS A 77 15.801 4.612 -8.140 1.00 0.00 N ATOM 0 H LYS A 77 12.664 3.365 -5.221 1.00 0.00 H new ATOM 0 HA LYS A 77 12.198 1.498 -7.156 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.330 1.564 -4.974 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.386 0.460 -6.334 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.719 2.429 -6.913 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.277 2.445 -7.909 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.270 4.208 -6.667 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.233 3.890 -5.238 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.834 5.961 -6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.120 5.021 -6.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 16.200 5.457 -8.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 16.539 3.885 -8.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 15.019 4.243 -8.717 1.00 0.00 H new ATOM 1166 N ASP A 78 11.785 0.298 -4.112 1.00 0.00 N ATOM 1167 CA ASP A 78 11.251 -0.809 -3.338 1.00 0.00 C ATOM 1168 C ASP A 78 9.757 -0.965 -3.609 1.00 0.00 C ATOM 1169 O ASP A 78 9.302 -2.025 -4.037 1.00 0.00 O ATOM 1170 CB ASP A 78 11.501 -0.553 -1.840 1.00 0.00 C ATOM 1171 CG ASP A 78 12.932 -0.940 -1.471 1.00 0.00 C ATOM 1172 OD1 ASP A 78 13.721 -1.147 -2.379 1.00 0.00 O ATOM 1173 OD2 ASP A 78 13.215 -1.025 -0.288 1.00 0.00 O ATOM 0 H ASP A 78 12.044 1.114 -3.558 1.00 0.00 H new ATOM 0 HA ASP A 78 11.752 -1.732 -3.631 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.330 0.499 -1.610 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.795 -1.129 -1.242 1.00 0.00 H new ATOM 1178 N ALA A 79 8.997 0.093 -3.346 1.00 0.00 N ATOM 1179 CA ALA A 79 7.554 0.060 -3.554 1.00 0.00 C ATOM 1180 C ALA A 79 7.202 -0.159 -5.028 1.00 0.00 C ATOM 1181 O ALA A 79 6.543 -1.143 -5.363 1.00 0.00 O ATOM 1182 CB ALA A 79 6.934 1.371 -3.058 1.00 0.00 C ATOM 0 H ALA A 79 9.354 0.980 -2.990 1.00 0.00 H new ATOM 0 HA ALA A 79 7.149 -0.779 -2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.856 1.345 -3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.144 1.494 -1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.361 2.208 -3.611 1.00 0.00 H new ATOM 1188 N VAL A 80 7.620 0.774 -5.896 1.00 0.00 N ATOM 1189 CA VAL A 80 7.326 0.689 -7.336 1.00 0.00 C ATOM 1190 C VAL A 80 7.326 -0.759 -7.830 1.00 0.00 C ATOM 1191 O VAL A 80 6.685 -1.088 -8.826 1.00 0.00 O ATOM 1192 CB VAL A 80 8.340 1.519 -8.127 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.639 0.736 -8.311 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.762 1.862 -9.506 1.00 0.00 C ATOM 0 H VAL A 80 8.162 1.595 -5.627 1.00 0.00 H new ATOM 0 HA VAL A 80 6.326 1.091 -7.497 1.00 0.00 H new ATOM 0 HB VAL A 80 8.548 2.435 -7.573 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.350 1.339 -8.875 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.061 0.496 -7.335 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.434 -0.186 -8.854 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.486 2.453 -10.067 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.546 0.942 -10.049 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.843 2.435 -9.383 1.00 0.00 H new ATOM 1204 N ARG A 81 8.046 -1.614 -7.119 1.00 0.00 N ATOM 1205 CA ARG A 81 8.120 -3.024 -7.486 1.00 0.00 C ATOM 1206 C ARG A 81 6.865 -3.742 -7.014 1.00 0.00 C ATOM 1207 O ARG A 81 6.169 -4.398 -7.788 1.00 0.00 O ATOM 1208 CB ARG A 81 9.343 -3.687 -6.846 1.00 0.00 C ATOM 1209 CG ARG A 81 9.591 -5.046 -7.513 1.00 0.00 C ATOM 1210 CD ARG A 81 10.544 -5.887 -6.658 1.00 0.00 C ATOM 1211 NE ARG A 81 11.889 -5.326 -6.696 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.904 -5.937 -6.093 1.00 0.00 C ATOM 1213 NH1 ARG A 81 12.704 -7.049 -5.441 1.00 0.00 N ATOM 1214 NH2 ARG A 81 14.102 -5.421 -6.148 1.00 0.00 N ATOM 0 H ARG A 81 8.584 -1.361 -6.290 1.00 0.00 H new ATOM 0 HA ARG A 81 8.205 -3.092 -8.571 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.219 -3.048 -6.960 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.181 -3.818 -5.776 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.646 -5.573 -7.644 1.00 0.00 H new ATOM 0 HG3 ARG A 81 10.015 -4.900 -8.507 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.186 -5.921 -5.629 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.561 -6.914 -7.023 1.00 0.00 H new ATOM 0 HE ARG A 81 12.054 -4.451 -7.193 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.768 -7.451 -5.393 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.484 -7.517 -4.979 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.259 -4.549 -6.654 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.881 -5.890 -5.685 1.00 0.00 H new ATOM 1228 N ILE A 82 6.609 -3.628 -5.722 1.00 0.00 N ATOM 1229 CA ILE A 82 5.463 -4.281 -5.117 1.00 0.00 C ATOM 1230 C ILE A 82 4.169 -4.008 -5.896 1.00 0.00 C ATOM 1231 O ILE A 82 3.382 -4.930 -6.110 1.00 0.00 O ATOM 1232 CB ILE A 82 5.331 -3.838 -3.649 1.00 0.00 C ATOM 1233 CG1 ILE A 82 6.381 -4.577 -2.805 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.931 -4.173 -3.124 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.441 -3.972 -1.403 1.00 0.00 C ATOM 0 H ILE A 82 7.181 -3.088 -5.072 1.00 0.00 H new ATOM 0 HA ILE A 82 5.627 -5.358 -5.152 1.00 0.00 H new ATOM 0 HB ILE A 82 5.489 -2.762 -3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.131 -5.636 -2.743 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.358 -4.508 -3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.847 -3.856 -2.085 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.184 -3.653 -3.724 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.765 -5.248 -3.190 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.187 -4.501 -0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.713 -2.919 -1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.466 -4.064 -0.925 1.00 0.00 H new ATOM 1247 N LEU A 83 3.931 -2.764 -6.325 1.00 0.00 N ATOM 1248 CA LEU A 83 2.698 -2.489 -7.070 1.00 0.00 C ATOM 1249 C LEU A 83 2.820 -3.051 -8.478 1.00 0.00 C ATOM 1250 O LEU A 83 1.854 -3.577 -9.029 1.00 0.00 O ATOM 1251 CB LEU A 83 2.342 -0.977 -7.155 1.00 0.00 C ATOM 1252 CG LEU A 83 2.905 -0.149 -5.974 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.918 -0.932 -4.651 1.00 0.00 C ATOM 1254 CD2 LEU A 83 4.300 0.343 -6.315 1.00 0.00 C ATOM 0 H LEU A 83 4.545 -1.963 -6.178 1.00 0.00 H new ATOM 0 HA LEU A 83 1.891 -2.973 -6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.728 -0.572 -8.090 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.258 -0.867 -7.183 1.00 0.00 H new ATOM 0 HG LEU A 83 2.239 0.701 -5.824 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.323 -0.302 -3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.901 -1.229 -4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.539 -1.821 -4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.694 0.926 -5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.952 -0.511 -6.501 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.257 0.968 -7.207 1.00 0.00 H new ATOM 1266 N TRP A 84 4.012 -2.941 -9.059 1.00 0.00 N ATOM 1267 CA TRP A 84 4.230 -3.456 -10.412 1.00 0.00 C ATOM 1268 C TRP A 84 3.619 -4.857 -10.541 1.00 0.00 C ATOM 1269 O TRP A 84 3.378 -5.343 -11.646 1.00 0.00 O ATOM 1270 CB TRP A 84 5.752 -3.513 -10.705 1.00 0.00 C ATOM 1271 CG TRP A 84 6.150 -2.554 -11.786 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.839 -2.893 -12.899 1.00 0.00 C ATOM 1273 CD2 TRP A 84 5.919 -1.118 -11.868 1.00 0.00 C ATOM 1274 NE1 TRP A 84 7.047 -1.760 -13.659 1.00 0.00 N ATOM 1275 CE2 TRP A 84 6.500 -0.640 -13.067 1.00 0.00 C ATOM 1276 CE3 TRP A 84 5.271 -0.193 -11.031 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 6.441 0.708 -13.421 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 5.210 1.164 -11.385 1.00 0.00 C ATOM 1279 CH2 TRP A 84 5.796 1.612 -12.578 1.00 0.00 C ATOM 0 H TRP A 84 4.828 -2.509 -8.626 1.00 0.00 H new ATOM 0 HA TRP A 84 3.750 -2.794 -11.132 1.00 0.00 H new ATOM 0 HB2 TRP A 84 6.306 -3.284 -9.795 1.00 0.00 H new ATOM 0 HB3 TRP A 84 6.027 -4.526 -10.999 1.00 0.00 H new ATOM 0 HD1 TRP A 84 7.172 -3.889 -13.152 1.00 0.00 H new ATOM 0 HE1 TRP A 84 7.544 -1.752 -14.550 1.00 0.00 H new ATOM 0 HE3 TRP A 84 4.817 -0.528 -10.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 6.892 1.049 -14.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 4.709 1.867 -10.735 1.00 0.00 H new ATOM 0 HH2 TRP A 84 5.748 2.658 -12.844 1.00 0.00 H new ATOM 1290 N GLY A 85 3.391 -5.502 -9.400 1.00 0.00 N ATOM 1291 CA GLY A 85 2.831 -6.849 -9.391 1.00 0.00 C ATOM 1292 C GLY A 85 3.938 -7.875 -9.597 1.00 0.00 C ATOM 1293 O GLY A 85 3.677 -9.042 -9.889 1.00 0.00 O ATOM 0 H GLY A 85 3.584 -5.116 -8.476 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.324 -7.034 -8.444 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.083 -6.946 -10.178 1.00 0.00 H new ATOM 1297 N GLU A 86 5.182 -7.422 -9.435 1.00 0.00 N ATOM 1298 CA GLU A 86 6.351 -8.287 -9.597 1.00 0.00 C ATOM 1299 C GLU A 86 7.014 -8.519 -8.245 1.00 0.00 C ATOM 1300 O GLU A 86 8.062 -9.159 -8.163 1.00 0.00 O ATOM 1301 CB GLU A 86 7.355 -7.632 -10.549 1.00 0.00 C ATOM 1302 CG GLU A 86 6.760 -7.571 -11.957 1.00 0.00 C ATOM 1303 CD GLU A 86 7.759 -6.937 -12.919 1.00 0.00 C ATOM 1304 OE1 GLU A 86 8.613 -6.199 -12.453 1.00 0.00 O ATOM 1305 OE2 GLU A 86 7.655 -7.197 -14.106 1.00 0.00 O ATOM 0 H GLU A 86 5.406 -6.457 -9.191 1.00 0.00 H new ATOM 0 HA GLU A 86 6.029 -9.242 -10.012 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.599 -6.628 -10.202 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.285 -8.200 -10.560 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.503 -8.575 -12.296 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.836 -6.992 -11.946 1.00 0.00 H new ATOM 1312 N ALA A 87 6.387 -7.982 -7.194 1.00 0.00 N ATOM 1313 CA ALA A 87 6.893 -8.107 -5.824 1.00 0.00 C ATOM 1314 C ALA A 87 7.709 -9.388 -5.633 1.00 0.00 C ATOM 1315 O ALA A 87 8.797 -9.363 -5.057 1.00 0.00 O ATOM 1316 CB ALA A 87 5.708 -8.094 -4.845 1.00 0.00 C ATOM 0 H ALA A 87 5.519 -7.451 -7.268 1.00 0.00 H new ATOM 0 HA ALA A 87 7.555 -7.263 -5.628 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.078 -8.187 -3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.161 -7.157 -4.949 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.043 -8.929 -5.067 1.00 0.00 H new ATOM 1322 N GLU A 88 7.176 -10.502 -6.124 1.00 0.00 N ATOM 1323 CA GLU A 88 7.865 -11.780 -6.005 1.00 0.00 C ATOM 1324 C GLU A 88 9.314 -11.639 -6.458 1.00 0.00 C ATOM 1325 O GLU A 88 9.689 -10.632 -7.058 1.00 0.00 O ATOM 1326 CB GLU A 88 7.158 -12.836 -6.856 1.00 0.00 C ATOM 1327 CG GLU A 88 5.679 -12.900 -6.469 1.00 0.00 C ATOM 1328 CD GLU A 88 5.540 -13.312 -5.008 1.00 0.00 C ATOM 1329 OE1 GLU A 88 6.196 -14.264 -4.616 1.00 0.00 O ATOM 1330 OE2 GLU A 88 4.780 -12.671 -4.301 1.00 0.00 O ATOM 0 H GLU A 88 6.277 -10.545 -6.604 1.00 0.00 H new ATOM 0 HA GLU A 88 7.848 -12.092 -4.961 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.257 -12.592 -7.914 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.626 -13.809 -6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.211 -11.929 -6.628 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.158 -13.613 -7.108 1.00 0.00 H new