USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.561 USER MOD Single : A 29 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.24) USER MOD Single : A 48 GLN : amide:sc= -0.0139 K(o=-0.014,f=-1.5!) 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= -0.0307 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -150:sc= -1.07 USER MOD Single : A 73 MET CE :methyl 179:sc= 0 (180deg=-0.000735) USER MOD Single : A 74 SER OG : rot -74:sc= 0.553 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 183 N LEU A 13 -4.294 -6.335 -1.369 1.00 0.00 N ATOM 184 CA LEU A 13 -3.429 -6.400 -0.182 1.00 0.00 C ATOM 185 C LEU A 13 -2.010 -5.897 -0.487 1.00 0.00 C ATOM 186 O LEU A 13 -1.473 -5.057 0.236 1.00 0.00 O ATOM 187 CB LEU A 13 -3.375 -7.856 0.377 1.00 0.00 C ATOM 188 CG LEU A 13 -4.391 -8.742 -0.359 1.00 0.00 C ATOM 189 CD1 LEU A 13 -4.217 -10.200 0.078 1.00 0.00 C ATOM 190 CD2 LEU A 13 -5.837 -8.266 -0.067 1.00 0.00 C ATOM 0 HA LEU A 13 -3.861 -5.745 0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.371 -8.263 0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.591 -7.852 1.445 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.213 -8.666 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.939 -10.826 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.207 -10.533 -0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.380 -10.280 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.544 -8.905 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.029 -8.322 1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.956 -7.236 -0.404 1.00 0.00 H new ATOM 202 N ARG A 14 -1.404 -6.431 -1.543 1.00 0.00 N ATOM 203 CA ARG A 14 -0.043 -6.044 -1.912 1.00 0.00 C ATOM 204 C ARG A 14 0.121 -4.524 -1.978 1.00 0.00 C ATOM 205 O ARG A 14 1.187 -4.001 -1.655 1.00 0.00 O ATOM 206 CB ARG A 14 0.329 -6.653 -3.272 1.00 0.00 C ATOM 207 CG ARG A 14 0.582 -8.161 -3.130 1.00 0.00 C ATOM 208 CD ARG A 14 1.278 -8.682 -4.397 1.00 0.00 C ATOM 209 NE ARG A 14 0.854 -7.908 -5.567 1.00 0.00 N ATOM 210 CZ ARG A 14 -0.082 -8.347 -6.412 1.00 0.00 C ATOM 211 NH1 ARG A 14 -0.662 -9.502 -6.222 1.00 0.00 N ATOM 212 NH2 ARG A 14 -0.420 -7.614 -7.437 1.00 0.00 N ATOM 0 H ARG A 14 -1.828 -7.128 -2.155 1.00 0.00 H new ATOM 0 HA ARG A 14 0.623 -6.424 -1.137 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.474 -6.478 -3.988 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.220 -6.163 -3.666 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.202 -8.356 -2.255 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.361 -8.687 -2.977 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.360 -8.613 -4.280 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.039 -9.735 -4.544 1.00 0.00 H new ATOM 0 HE ARG A 14 1.289 -7.002 -5.742 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.401 -10.078 -5.422 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.376 -9.828 -6.874 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.030 -6.711 -7.589 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.134 -7.944 -8.086 1.00 0.00 H new ATOM 226 N ILE A 15 -0.919 -3.817 -2.406 1.00 0.00 N ATOM 227 CA ILE A 15 -0.834 -2.362 -2.510 1.00 0.00 C ATOM 228 C ILE A 15 -0.638 -1.729 -1.137 1.00 0.00 C ATOM 229 O ILE A 15 -0.123 -0.616 -1.027 1.00 0.00 O ATOM 230 CB ILE A 15 -2.105 -1.791 -3.154 1.00 0.00 C ATOM 231 CG1 ILE A 15 -2.423 -2.548 -4.451 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.901 -0.309 -3.471 1.00 0.00 C ATOM 233 CD1 ILE A 15 -1.194 -2.591 -5.364 1.00 0.00 C ATOM 0 H ILE A 15 -1.816 -4.217 -2.682 1.00 0.00 H new ATOM 0 HA ILE A 15 0.026 -2.125 -3.137 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.935 -1.906 -2.457 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.745 -3.563 -4.217 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.251 -2.063 -4.968 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.805 0.093 -3.928 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.687 0.234 -2.550 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.065 -0.196 -4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.439 -3.132 -6.278 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.891 -1.574 -5.614 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.377 -3.098 -4.851 1.00 0.00 H new ATOM 245 N ALA A 16 -1.057 -2.437 -0.087 1.00 0.00 N ATOM 246 CA ALA A 16 -0.930 -1.923 1.274 1.00 0.00 C ATOM 247 C ALA A 16 0.376 -2.359 1.916 1.00 0.00 C ATOM 248 O ALA A 16 0.838 -1.737 2.869 1.00 0.00 O ATOM 249 CB ALA A 16 -2.116 -2.378 2.119 1.00 0.00 C ATOM 0 H ALA A 16 -1.484 -3.361 -0.153 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.925 -0.834 1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.011 -1.989 3.132 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.041 -2.003 1.680 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.144 -3.467 2.149 1.00 0.00 H new ATOM 255 N LEU A 17 0.991 -3.404 1.389 1.00 0.00 N ATOM 256 CA LEU A 17 2.263 -3.849 1.937 1.00 0.00 C ATOM 257 C LEU A 17 3.321 -2.818 1.566 1.00 0.00 C ATOM 258 O LEU A 17 4.267 -2.578 2.315 1.00 0.00 O ATOM 259 CB LEU A 17 2.635 -5.242 1.385 1.00 0.00 C ATOM 260 CG LEU A 17 2.188 -6.350 2.362 1.00 0.00 C ATOM 261 CD1 LEU A 17 2.992 -6.271 3.680 1.00 0.00 C ATOM 262 CD2 LEU A 17 0.683 -6.205 2.651 1.00 0.00 C ATOM 0 H LEU A 17 0.642 -3.950 0.601 1.00 0.00 H new ATOM 0 HA LEU A 17 2.195 -3.938 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.162 -5.393 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.712 -5.301 1.228 1.00 0.00 H new ATOM 0 HG LEU A 17 2.377 -7.321 1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.662 -7.060 4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.054 -6.396 3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.828 -5.301 4.149 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.368 -6.988 3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.490 -5.229 3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.123 -6.295 1.720 1.00 0.00 H new ATOM 274 N ALA A 18 3.136 -2.207 0.402 1.00 0.00 N ATOM 275 CA ALA A 18 4.058 -1.190 -0.073 1.00 0.00 C ATOM 276 C ALA A 18 4.186 -0.072 0.952 1.00 0.00 C ATOM 277 O ALA A 18 5.288 0.389 1.239 1.00 0.00 O ATOM 278 CB ALA A 18 3.561 -0.635 -1.406 1.00 0.00 C ATOM 0 H ALA A 18 2.357 -2.400 -0.227 1.00 0.00 H new ATOM 0 HA ALA A 18 5.042 -1.637 -0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.253 0.128 -1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.502 -1.442 -2.137 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.573 -0.195 -1.271 1.00 0.00 H new ATOM 284 N ALA A 19 3.054 0.360 1.508 1.00 0.00 N ATOM 285 CA ALA A 19 3.072 1.427 2.513 1.00 0.00 C ATOM 286 C ALA A 19 4.257 1.231 3.461 1.00 0.00 C ATOM 287 O ALA A 19 4.887 2.200 3.892 1.00 0.00 O ATOM 288 CB ALA A 19 1.760 1.449 3.302 1.00 0.00 C ATOM 0 H ALA A 19 2.127 -0.004 1.286 1.00 0.00 H new ATOM 0 HA ALA A 19 3.180 2.384 2.002 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.794 2.248 4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.928 1.622 2.620 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.623 0.493 3.806 1.00 0.00 H new ATOM 294 N ARG A 20 4.567 -0.029 3.768 1.00 0.00 N ATOM 295 CA ARG A 20 5.691 -0.329 4.647 1.00 0.00 C ATOM 296 C ARG A 20 7.001 0.080 3.976 1.00 0.00 C ATOM 297 O ARG A 20 7.878 0.665 4.610 1.00 0.00 O ATOM 298 CB ARG A 20 5.719 -1.822 4.978 1.00 0.00 C ATOM 299 CG ARG A 20 4.358 -2.242 5.539 1.00 0.00 C ATOM 300 CD ARG A 20 4.460 -3.641 6.152 1.00 0.00 C ATOM 301 NE ARG A 20 3.229 -3.971 6.860 1.00 0.00 N ATOM 302 CZ ARG A 20 2.959 -3.442 8.049 1.00 0.00 C ATOM 303 NH1 ARG A 20 3.803 -2.613 8.602 1.00 0.00 N ATOM 304 NH2 ARG A 20 1.849 -3.749 8.664 1.00 0.00 N ATOM 0 H ARG A 20 4.062 -0.846 3.425 1.00 0.00 H new ATOM 0 HA ARG A 20 5.573 0.234 5.573 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.950 -2.400 4.083 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.505 -2.030 5.704 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.029 -1.527 6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.610 -2.236 4.746 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.646 -4.376 5.369 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.306 -3.685 6.838 1.00 0.00 H new ATOM 0 HE ARG A 20 2.564 -4.618 6.436 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.670 -2.371 8.121 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.596 -2.207 9.514 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.189 -4.395 8.232 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.642 -3.343 9.576 1.00 0.00 H new ATOM 318 N ALA A 21 7.117 -0.220 2.682 1.00 0.00 N ATOM 319 CA ALA A 21 8.313 0.130 1.923 1.00 0.00 C ATOM 320 C ALA A 21 8.545 1.627 1.966 1.00 0.00 C ATOM 321 O ALA A 21 9.556 2.124 1.471 1.00 0.00 O ATOM 322 CB ALA A 21 8.138 -0.276 0.463 1.00 0.00 C ATOM 0 H ALA A 21 6.399 -0.703 2.141 1.00 0.00 H new ATOM 0 HA ALA A 21 9.161 -0.393 2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.034 -0.012 -0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.975 -1.352 0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.279 0.245 0.041 1.00 0.00 H new ATOM 328 N LEU A 22 7.593 2.345 2.548 1.00 0.00 N ATOM 329 CA LEU A 22 7.673 3.797 2.643 1.00 0.00 C ATOM 330 C LEU A 22 7.630 4.222 4.123 1.00 0.00 C ATOM 331 O LEU A 22 6.601 4.048 4.776 1.00 0.00 O ATOM 332 CB LEU A 22 6.476 4.421 1.907 1.00 0.00 C ATOM 333 CG LEU A 22 6.138 3.643 0.622 1.00 0.00 C ATOM 334 CD1 LEU A 22 4.830 4.190 0.038 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.277 3.788 -0.404 1.00 0.00 C ATOM 0 H LEU A 22 6.753 1.943 2.963 1.00 0.00 H new ATOM 0 HA LEU A 22 8.605 4.137 2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.608 4.433 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.701 5.458 1.658 1.00 0.00 H new ATOM 0 HG LEU A 22 6.021 2.585 0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.582 3.645 -0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.027 4.066 0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.950 5.248 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.025 3.233 -1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.413 4.841 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.200 3.393 0.019 1.00 0.00 H new ATOM 347 N PRO A 23 8.698 4.759 4.676 1.00 0.00 N ATOM 348 CA PRO A 23 8.718 5.183 6.105 1.00 0.00 C ATOM 349 C PRO A 23 8.124 6.580 6.308 1.00 0.00 C ATOM 350 O PRO A 23 8.829 7.510 6.700 1.00 0.00 O ATOM 351 CB PRO A 23 10.209 5.163 6.440 1.00 0.00 C ATOM 352 CG PRO A 23 10.878 5.567 5.165 1.00 0.00 C ATOM 353 CD PRO A 23 9.998 5.026 4.026 1.00 0.00 C ATOM 0 HA PRO A 23 8.114 4.537 6.743 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.444 5.854 7.249 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.531 4.173 6.762 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.973 6.651 5.102 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.886 5.155 5.107 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.899 5.752 3.219 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.420 4.120 3.591 1.00 0.00 H new ATOM 361 N GLY A 24 6.825 6.718 6.044 1.00 0.00 N ATOM 362 CA GLY A 24 6.158 8.008 6.212 1.00 0.00 C ATOM 363 C GLY A 24 4.910 8.110 5.338 1.00 0.00 C ATOM 364 O GLY A 24 3.914 8.717 5.734 1.00 0.00 O ATOM 0 H GLY A 24 6.221 5.964 5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.883 8.143 7.258 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.849 8.812 5.957 1.00 0.00 H new ATOM 368 N THR A 25 4.973 7.526 4.144 1.00 0.00 N ATOM 369 CA THR A 25 3.842 7.571 3.219 1.00 0.00 C ATOM 370 C THR A 25 2.806 6.504 3.557 1.00 0.00 C ATOM 371 O THR A 25 3.147 5.348 3.811 1.00 0.00 O ATOM 372 CB THR A 25 4.330 7.351 1.790 1.00 0.00 C ATOM 373 OG1 THR A 25 5.448 8.188 1.535 1.00 0.00 O ATOM 374 CG2 THR A 25 3.207 7.677 0.810 1.00 0.00 C ATOM 0 H THR A 25 5.787 7.020 3.796 1.00 0.00 H new ATOM 0 HA THR A 25 3.377 8.553 3.311 1.00 0.00 H new ATOM 0 HB THR A 25 4.625 6.309 1.664 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.762 8.045 0.618 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.557 7.519 -0.210 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.354 7.027 1.005 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.907 8.717 0.934 1.00 0.00 H new ATOM 382 N THR A 26 1.538 6.904 3.548 1.00 0.00 N ATOM 383 CA THR A 26 0.447 5.995 3.841 1.00 0.00 C ATOM 384 C THR A 26 0.060 5.218 2.581 1.00 0.00 C ATOM 385 O THR A 26 0.531 5.521 1.484 1.00 0.00 O ATOM 386 CB THR A 26 -0.749 6.819 4.364 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.280 8.093 4.780 1.00 0.00 O ATOM 388 CG2 THR A 26 -1.401 6.122 5.553 1.00 0.00 C ATOM 0 H THR A 26 1.245 7.858 3.339 1.00 0.00 H new ATOM 0 HA THR A 26 0.751 5.274 4.600 1.00 0.00 H new ATOM 0 HB THR A 26 -1.485 6.921 3.567 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.032 8.626 5.113 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.242 6.718 5.908 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.757 5.138 5.248 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.671 6.011 6.355 1.00 0.00 H new ATOM 396 N VAL A 27 -0.790 4.214 2.750 1.00 0.00 N ATOM 397 CA VAL A 27 -1.220 3.397 1.621 1.00 0.00 C ATOM 398 C VAL A 27 -1.957 4.238 0.586 1.00 0.00 C ATOM 399 O VAL A 27 -1.536 4.334 -0.565 1.00 0.00 O ATOM 400 CB VAL A 27 -2.154 2.273 2.093 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.445 1.327 0.921 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.508 1.482 3.239 1.00 0.00 C ATOM 0 H VAL A 27 -1.193 3.947 3.648 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.325 2.970 1.169 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.083 2.716 2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.108 0.528 1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.923 1.883 0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.511 0.896 0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.184 0.690 3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.572 1.043 2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.309 2.151 4.076 1.00 0.00 H new ATOM 412 N GLY A 28 -3.071 4.827 1.001 1.00 0.00 N ATOM 413 CA GLY A 28 -3.880 5.637 0.100 1.00 0.00 C ATOM 414 C GLY A 28 -3.210 6.966 -0.239 1.00 0.00 C ATOM 415 O GLY A 28 -3.839 7.843 -0.832 1.00 0.00 O ATOM 0 H GLY A 28 -3.434 4.760 1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.065 5.081 -0.819 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.850 5.828 0.558 1.00 0.00 H new ATOM 419 N GLN A 29 -1.936 7.125 0.131 1.00 0.00 N ATOM 420 CA GLN A 29 -1.222 8.372 -0.161 1.00 0.00 C ATOM 421 C GLN A 29 -0.349 8.212 -1.402 1.00 0.00 C ATOM 422 O GLN A 29 -0.042 9.190 -2.083 1.00 0.00 O ATOM 423 CB GLN A 29 -0.352 8.779 1.039 1.00 0.00 C ATOM 424 CG GLN A 29 -1.222 9.447 2.109 1.00 0.00 C ATOM 425 CD GLN A 29 -1.697 10.812 1.622 1.00 0.00 C ATOM 426 OE1 GLN A 29 -2.898 11.031 1.465 1.00 0.00 O ATOM 427 NE2 GLN A 29 -0.823 11.747 1.371 1.00 0.00 N ATOM 0 H GLN A 29 -1.386 6.421 0.624 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.959 9.153 -0.349 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.143 7.901 1.455 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.432 9.463 0.716 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.080 8.815 2.337 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.654 9.559 3.032 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.172 11.564 1.502 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.134 12.662 1.044 1.00 0.00 H new ATOM 436 N LEU A 30 0.051 6.976 -1.691 1.00 0.00 N ATOM 437 CA LEU A 30 0.895 6.712 -2.856 1.00 0.00 C ATOM 438 C LEU A 30 0.035 6.472 -4.094 1.00 0.00 C ATOM 439 O LEU A 30 0.476 6.709 -5.218 1.00 0.00 O ATOM 440 CB LEU A 30 1.791 5.499 -2.575 1.00 0.00 C ATOM 441 CG LEU A 30 2.543 5.056 -3.844 1.00 0.00 C ATOM 442 CD1 LEU A 30 3.402 6.212 -4.374 1.00 0.00 C ATOM 443 CD2 LEU A 30 3.452 3.869 -3.500 1.00 0.00 C ATOM 0 H LEU A 30 -0.191 6.150 -1.143 1.00 0.00 H new ATOM 0 HA LEU A 30 1.525 7.581 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.508 5.747 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.184 4.674 -2.202 1.00 0.00 H new ATOM 0 HG LEU A 30 1.821 4.766 -4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.931 5.891 -5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.762 7.061 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.125 6.507 -3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.988 3.550 -4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.168 4.169 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.846 3.043 -3.126 1.00 0.00 H new ATOM 455 N LEU A 31 -1.196 6.008 -3.895 1.00 0.00 N ATOM 456 CA LEU A 31 -2.091 5.755 -5.020 1.00 0.00 C ATOM 457 C LEU A 31 -2.771 7.054 -5.450 1.00 0.00 C ATOM 458 O LEU A 31 -2.972 7.291 -6.640 1.00 0.00 O ATOM 459 CB LEU A 31 -3.157 4.723 -4.625 1.00 0.00 C ATOM 460 CG LEU A 31 -2.557 3.304 -4.614 1.00 0.00 C ATOM 461 CD1 LEU A 31 -2.231 2.833 -6.045 1.00 0.00 C ATOM 462 CD2 LEU A 31 -1.283 3.293 -3.762 1.00 0.00 C ATOM 0 H LEU A 31 -1.592 5.802 -2.978 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.505 5.364 -5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.556 4.963 -3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.991 4.766 -5.326 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.291 2.620 -4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.809 1.829 -6.010 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.143 2.823 -6.641 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.510 3.514 -6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.859 2.289 -3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.558 3.990 -4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.525 3.592 -2.742 1.00 0.00 H new ATOM 715 N LEU A 47 -1.173 0.413 -12.779 1.00 0.00 N ATOM 716 CA LEU A 47 0.015 0.880 -12.072 1.00 0.00 C ATOM 717 C LEU A 47 1.190 1.041 -13.038 1.00 0.00 C ATOM 718 O LEU A 47 2.013 1.942 -12.877 1.00 0.00 O ATOM 719 CB LEU A 47 0.385 -0.109 -10.956 1.00 0.00 C ATOM 720 CG LEU A 47 -0.537 0.083 -9.735 1.00 0.00 C ATOM 721 CD1 LEU A 47 -0.206 1.395 -8.995 1.00 0.00 C ATOM 722 CD2 LEU A 47 -2.000 0.103 -10.198 1.00 0.00 C ATOM 0 HA LEU A 47 -0.206 1.852 -11.631 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.301 -1.131 -11.325 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.424 0.039 -10.661 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.379 -0.747 -9.046 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.870 1.507 -8.138 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.828 1.368 -8.652 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.342 2.239 -9.672 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.653 0.239 -9.336 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.149 0.925 -10.899 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.239 -0.840 -10.689 1.00 0.00 H new ATOM 734 N GLN A 48 1.265 0.168 -14.038 1.00 0.00 N ATOM 735 CA GLN A 48 2.348 0.236 -15.016 1.00 0.00 C ATOM 736 C GLN A 48 2.080 1.343 -16.029 1.00 0.00 C ATOM 737 O GLN A 48 1.904 1.077 -17.218 1.00 0.00 O ATOM 738 CB GLN A 48 2.479 -1.099 -15.753 1.00 0.00 C ATOM 739 CG GLN A 48 2.645 -2.234 -14.743 1.00 0.00 C ATOM 740 CD GLN A 48 2.883 -3.551 -15.478 1.00 0.00 C ATOM 741 OE1 GLN A 48 3.343 -3.549 -16.621 1.00 0.00 O ATOM 742 NE2 GLN A 48 2.598 -4.680 -14.889 1.00 0.00 N ATOM 0 H GLN A 48 0.597 -0.587 -14.193 1.00 0.00 H new ATOM 0 HA GLN A 48 3.275 0.451 -14.485 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.596 -1.273 -16.368 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.336 -1.071 -16.426 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.482 -2.022 -14.078 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.754 -2.311 -14.119 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.217 -4.680 -13.943 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.756 -5.563 -15.375 1.00 0.00 H new ATOM 751 N GLY A 49 2.047 2.585 -15.552 1.00 0.00 N ATOM 752 CA GLY A 49 1.795 3.729 -16.426 1.00 0.00 C ATOM 753 C GLY A 49 2.519 4.972 -15.925 1.00 0.00 C ATOM 754 O GLY A 49 2.406 6.046 -16.517 1.00 0.00 O ATOM 0 H GLY A 49 2.191 2.825 -14.571 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.124 3.496 -17.439 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.724 3.924 -16.476 1.00 0.00 H new ATOM 758 N VAL A 50 3.264 4.824 -14.827 1.00 0.00 N ATOM 759 CA VAL A 50 4.010 5.948 -14.248 1.00 0.00 C ATOM 760 C VAL A 50 5.464 5.535 -13.995 1.00 0.00 C ATOM 761 O VAL A 50 5.822 4.369 -14.159 1.00 0.00 O ATOM 762 CB VAL A 50 3.304 6.415 -12.943 1.00 0.00 C ATOM 763 CG1 VAL A 50 3.919 5.760 -11.691 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.404 7.940 -12.810 1.00 0.00 C ATOM 0 H VAL A 50 3.368 3.944 -14.322 1.00 0.00 H new ATOM 0 HA VAL A 50 4.025 6.787 -14.944 1.00 0.00 H new ATOM 0 HB VAL A 50 2.260 6.109 -13.011 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.397 6.113 -10.802 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.822 4.677 -11.762 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.974 6.026 -11.622 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.907 8.259 -11.894 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.453 8.234 -12.775 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.923 8.412 -13.667 1.00 0.00 H new ATOM 774 N SER A 51 6.295 6.497 -13.592 1.00 0.00 N ATOM 775 CA SER A 51 7.710 6.231 -13.312 1.00 0.00 C ATOM 776 C SER A 51 7.982 6.484 -11.839 1.00 0.00 C ATOM 777 O SER A 51 7.170 7.112 -11.172 1.00 0.00 O ATOM 778 CB SER A 51 8.595 7.142 -14.162 1.00 0.00 C ATOM 779 OG SER A 51 8.556 6.704 -15.515 1.00 0.00 O ATOM 0 H SER A 51 6.015 7.468 -13.452 1.00 0.00 H new ATOM 0 HA SER A 51 7.937 5.193 -13.557 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.249 8.173 -14.091 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.620 7.123 -13.791 1.00 0.00 H new ATOM 0 HG SER A 51 9.121 7.287 -16.064 1.00 0.00 H new ATOM 785 N VAL A 52 9.121 6.002 -11.341 1.00 0.00 N ATOM 786 CA VAL A 52 9.473 6.188 -9.930 1.00 0.00 C ATOM 787 C VAL A 52 9.454 7.674 -9.541 1.00 0.00 C ATOM 788 O VAL A 52 8.903 8.045 -8.505 1.00 0.00 O ATOM 789 CB VAL A 52 10.862 5.562 -9.648 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.588 6.305 -8.509 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.684 4.092 -9.242 1.00 0.00 C ATOM 0 H VAL A 52 9.811 5.485 -11.886 1.00 0.00 H new ATOM 0 HA VAL A 52 8.726 5.682 -9.319 1.00 0.00 H new ATOM 0 HB VAL A 52 11.460 5.641 -10.556 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.560 5.843 -8.334 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.728 7.350 -8.787 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.991 6.249 -7.599 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.660 3.649 -9.043 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.069 4.035 -8.344 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.196 3.548 -10.051 1.00 0.00 H new ATOM 801 N THR A 53 10.083 8.511 -10.355 1.00 0.00 N ATOM 802 CA THR A 53 10.154 9.941 -10.061 1.00 0.00 C ATOM 803 C THR A 53 8.767 10.547 -9.848 1.00 0.00 C ATOM 804 O THR A 53 8.639 11.574 -9.194 1.00 0.00 O ATOM 805 CB THR A 53 10.867 10.674 -11.208 1.00 0.00 C ATOM 806 OG1 THR A 53 12.266 10.450 -11.111 1.00 0.00 O ATOM 807 CG2 THR A 53 10.585 12.182 -11.130 1.00 0.00 C ATOM 0 H THR A 53 10.549 8.230 -11.218 1.00 0.00 H new ATOM 0 HA THR A 53 10.717 10.061 -9.136 1.00 0.00 H new ATOM 0 HB THR A 53 10.496 10.293 -12.159 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.723 10.915 -11.842 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.096 12.690 -11.948 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.512 12.356 -11.208 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.947 12.571 -10.178 1.00 0.00 H new ATOM 815 N ASP A 54 7.742 9.933 -10.405 1.00 0.00 N ATOM 816 CA ASP A 54 6.394 10.464 -10.258 1.00 0.00 C ATOM 817 C ASP A 54 5.855 10.196 -8.857 1.00 0.00 C ATOM 818 O ASP A 54 5.043 10.959 -8.334 1.00 0.00 O ATOM 819 CB ASP A 54 5.469 9.825 -11.284 1.00 0.00 C ATOM 820 CG ASP A 54 4.156 10.599 -11.354 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.761 11.151 -10.339 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.564 10.629 -12.421 1.00 0.00 O ATOM 0 H ASP A 54 7.810 9.078 -10.957 1.00 0.00 H new ATOM 0 HA ASP A 54 6.434 11.541 -10.419 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.948 9.816 -12.263 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.275 8.787 -11.015 1.00 0.00 H new ATOM 827 N LEU A 55 6.279 9.085 -8.273 1.00 0.00 N ATOM 828 CA LEU A 55 5.803 8.697 -6.947 1.00 0.00 C ATOM 829 C LEU A 55 6.244 9.681 -5.863 1.00 0.00 C ATOM 830 O LEU A 55 5.408 10.331 -5.243 1.00 0.00 O ATOM 831 CB LEU A 55 6.316 7.294 -6.581 1.00 0.00 C ATOM 832 CG LEU A 55 5.632 6.226 -7.457 1.00 0.00 C ATOM 833 CD1 LEU A 55 5.960 6.472 -8.929 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.141 4.838 -7.044 1.00 0.00 C ATOM 0 H LEU A 55 6.948 8.438 -8.691 1.00 0.00 H new ATOM 0 HA LEU A 55 4.714 8.701 -6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.396 7.248 -6.718 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.119 7.091 -5.528 1.00 0.00 H new ATOM 0 HG LEU A 55 4.552 6.281 -7.320 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.473 5.713 -9.542 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.602 7.459 -9.221 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.039 6.419 -9.075 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.662 4.077 -7.659 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.221 4.790 -7.183 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.902 4.660 -5.995 1.00 0.00 H new ATOM 846 N LYS A 56 7.552 9.768 -5.616 1.00 0.00 N ATOM 847 CA LYS A 56 8.061 10.655 -4.563 1.00 0.00 C ATOM 848 C LYS A 56 7.577 12.099 -4.704 1.00 0.00 C ATOM 849 O LYS A 56 7.359 12.779 -3.700 1.00 0.00 O ATOM 850 CB LYS A 56 9.588 10.640 -4.553 1.00 0.00 C ATOM 851 CG LYS A 56 10.103 11.484 -3.381 1.00 0.00 C ATOM 852 CD LYS A 56 11.552 11.100 -3.058 1.00 0.00 C ATOM 853 CE LYS A 56 12.399 11.143 -4.331 1.00 0.00 C ATOM 854 NZ LYS A 56 13.841 11.216 -3.965 1.00 0.00 N ATOM 0 H LYS A 56 8.269 9.246 -6.120 1.00 0.00 H new ATOM 0 HA LYS A 56 7.667 10.269 -3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.951 9.616 -4.464 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.972 11.034 -5.494 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.046 12.543 -3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.473 11.329 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.962 11.784 -2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.584 10.101 -2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.211 10.256 -4.936 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.122 12.006 -4.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.418 11.245 -4.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.014 12.075 -3.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.100 10.379 -3.405 1.00 0.00 H new ATOM 868 N ILE A 57 7.413 12.570 -5.931 1.00 0.00 N ATOM 869 CA ILE A 57 6.955 13.941 -6.149 1.00 0.00 C ATOM 870 C ILE A 57 5.448 14.014 -5.941 1.00 0.00 C ATOM 871 O ILE A 57 4.886 15.088 -5.732 1.00 0.00 O ATOM 872 CB ILE A 57 7.339 14.417 -7.560 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.514 13.657 -8.606 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.833 14.137 -7.776 1.00 0.00 C ATOM 875 CD1 ILE A 57 6.949 14.040 -10.029 1.00 0.00 C ATOM 0 H ILE A 57 7.586 12.035 -6.782 1.00 0.00 H new ATOM 0 HA ILE A 57 7.440 14.601 -5.430 1.00 0.00 H new ATOM 0 HB ILE A 57 7.139 15.484 -7.662 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.635 12.583 -8.461 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.455 13.880 -8.472 1.00 0.00 H new ATOM 0 HG21 ILE A 57 9.125 14.468 -8.773 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.416 14.676 -7.029 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.020 13.068 -7.680 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.350 13.488 -10.753 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.804 15.110 -10.178 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.002 13.794 -10.166 1.00 0.00 H new ATOM 887 N GLY A 58 4.803 12.851 -5.999 1.00 0.00 N ATOM 888 CA GLY A 58 3.360 12.771 -5.814 1.00 0.00 C ATOM 889 C GLY A 58 2.974 13.043 -4.362 1.00 0.00 C ATOM 890 O GLY A 58 1.970 13.702 -4.096 1.00 0.00 O ATOM 0 H GLY A 58 5.257 11.954 -6.172 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.867 13.492 -6.466 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.007 11.782 -6.108 1.00 0.00 H new ATOM 894 N LEU A 59 3.777 12.541 -3.422 1.00 0.00 N ATOM 895 CA LEU A 59 3.489 12.760 -2.008 1.00 0.00 C ATOM 896 C LEU A 59 3.836 14.192 -1.634 1.00 0.00 C ATOM 897 O LEU A 59 2.982 14.933 -1.147 1.00 0.00 O ATOM 898 CB LEU A 59 4.275 11.785 -1.116 1.00 0.00 C ATOM 899 CG LEU A 59 3.902 10.312 -1.406 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.376 10.117 -1.397 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.466 9.870 -2.765 1.00 0.00 C ATOM 0 H LEU A 59 4.615 11.991 -3.611 1.00 0.00 H new ATOM 0 HA LEU A 59 2.426 12.581 -1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.344 11.927 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.077 12.011 -0.068 1.00 0.00 H new ATOM 0 HG LEU A 59 4.339 9.699 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.141 9.073 -1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.980 10.391 -0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.924 10.749 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.193 8.831 -2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.053 10.501 -3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.552 9.964 -2.756 1.00 0.00 H new ATOM 913 N ALA A 60 5.077 14.602 -1.888 1.00 0.00 N ATOM 914 CA ALA A 60 5.469 15.971 -1.590 1.00 0.00 C ATOM 915 C ALA A 60 4.698 16.902 -2.509 1.00 0.00 C ATOM 916 O ALA A 60 4.272 17.984 -2.105 1.00 0.00 O ATOM 917 CB ALA A 60 6.971 16.169 -1.805 1.00 0.00 C ATOM 0 H ALA A 60 5.811 14.019 -2.290 1.00 0.00 H new ATOM 0 HA ALA A 60 5.244 16.189 -0.546 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.239 17.200 -1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.524 15.496 -1.150 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.222 15.952 -2.843 1.00 0.00 H new ATOM 923 N GLY A 61 4.503 16.454 -3.752 1.00 0.00 N ATOM 924 CA GLY A 61 3.756 17.240 -4.734 1.00 0.00 C ATOM 925 C GLY A 61 4.683 17.977 -5.692 1.00 0.00 C ATOM 926 O GLY A 61 4.310 18.246 -6.834 1.00 0.00 O ATOM 0 H GLY A 61 4.849 15.559 -4.099 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.097 16.582 -5.300 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.121 17.959 -4.217 1.00 0.00 H new ATOM 930 N SER A 62 5.887 18.322 -5.229 1.00 0.00 N ATOM 931 CA SER A 62 6.836 19.049 -6.077 1.00 0.00 C ATOM 932 C SER A 62 8.257 18.523 -5.929 1.00 0.00 C ATOM 933 O SER A 62 8.760 18.337 -4.820 1.00 0.00 O ATOM 934 CB SER A 62 6.809 20.536 -5.724 1.00 0.00 C ATOM 935 OG SER A 62 7.625 20.763 -4.582 1.00 0.00 O ATOM 0 H SER A 62 6.224 18.115 -4.289 1.00 0.00 H new ATOM 0 HA SER A 62 6.530 18.899 -7.112 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.169 21.128 -6.566 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.786 20.855 -5.524 1.00 0.00 H new ATOM 0 HG SER A 62 7.611 21.716 -4.354 1.00 0.00 H new ATOM 941 N GLU A 63 8.896 18.299 -7.072 1.00 0.00 N ATOM 942 CA GLU A 63 10.265 17.808 -7.119 1.00 0.00 C ATOM 943 C GLU A 63 11.212 18.762 -6.386 1.00 0.00 C ATOM 944 O GLU A 63 12.430 18.586 -6.422 1.00 0.00 O ATOM 945 CB GLU A 63 10.715 17.644 -8.586 1.00 0.00 C ATOM 946 CG GLU A 63 9.499 17.362 -9.473 1.00 0.00 C ATOM 947 CD GLU A 63 9.951 16.811 -10.821 1.00 0.00 C ATOM 948 OE1 GLU A 63 10.210 15.621 -10.896 1.00 0.00 O ATOM 949 OE2 GLU A 63 10.031 17.586 -11.759 1.00 0.00 O ATOM 0 H GLU A 63 8.479 18.453 -7.990 1.00 0.00 H new ATOM 0 HA GLU A 63 10.300 16.839 -6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.221 18.548 -8.924 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.433 16.828 -8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.839 16.647 -8.982 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.925 18.277 -9.619 1.00 0.00 H new ATOM 956 N GLU A 64 10.649 19.765 -5.716 1.00 0.00 N ATOM 957 CA GLU A 64 11.450 20.729 -4.973 1.00 0.00 C ATOM 958 C GLU A 64 11.585 20.312 -3.508 1.00 0.00 C ATOM 959 O GLU A 64 12.691 20.265 -2.972 1.00 0.00 O ATOM 960 CB GLU A 64 10.799 22.114 -5.052 1.00 0.00 C ATOM 961 CG GLU A 64 10.575 22.491 -6.518 1.00 0.00 C ATOM 962 CD GLU A 64 10.208 23.967 -6.626 1.00 0.00 C ATOM 963 OE1 GLU A 64 10.368 24.671 -5.643 1.00 0.00 O ATOM 964 OE2 GLU A 64 9.772 24.372 -7.691 1.00 0.00 O ATOM 0 H GLU A 64 9.643 19.929 -5.674 1.00 0.00 H new ATOM 0 HA GLU A 64 12.444 20.763 -5.418 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.849 22.112 -4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.436 22.855 -4.568 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.477 22.289 -7.096 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.780 21.878 -6.942 1.00 0.00 H new ATOM 971 N ASP A 65 10.453 20.044 -2.849 1.00 0.00 N ATOM 972 CA ASP A 65 10.466 19.674 -1.432 1.00 0.00 C ATOM 973 C ASP A 65 10.805 18.200 -1.204 1.00 0.00 C ATOM 974 O ASP A 65 11.138 17.809 -0.086 1.00 0.00 O ATOM 975 CB ASP A 65 9.086 19.973 -0.821 1.00 0.00 C ATOM 976 CG ASP A 65 9.202 20.205 0.685 1.00 0.00 C ATOM 977 OD1 ASP A 65 10.163 20.834 1.097 1.00 0.00 O ATOM 978 OD2 ASP A 65 8.326 19.752 1.403 1.00 0.00 O ATOM 0 H ASP A 65 9.525 20.076 -3.270 1.00 0.00 H new ATOM 0 HA ASP A 65 11.247 20.264 -0.951 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.655 20.853 -1.298 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.409 19.141 -1.015 1.00 0.00 H new ATOM 983 N VAL A 66 10.716 17.383 -2.242 1.00 0.00 N ATOM 984 CA VAL A 66 11.017 15.965 -2.086 1.00 0.00 C ATOM 985 C VAL A 66 12.360 15.784 -1.387 1.00 0.00 C ATOM 986 O VAL A 66 12.618 14.750 -0.770 1.00 0.00 O ATOM 987 CB VAL A 66 11.042 15.268 -3.447 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.617 15.100 -3.971 1.00 0.00 C ATOM 989 CG2 VAL A 66 11.820 16.114 -4.442 1.00 0.00 C ATOM 0 H VAL A 66 10.444 17.667 -3.183 1.00 0.00 H new ATOM 0 HA VAL A 66 10.234 15.514 -1.476 1.00 0.00 H new ATOM 0 HB VAL A 66 11.515 14.293 -3.331 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.642 14.603 -4.941 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.040 14.498 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.151 16.079 -4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.836 15.614 -5.411 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.341 17.088 -4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.842 16.247 -4.086 1.00 0.00 H new ATOM 999 N ASP A 67 13.208 16.799 -1.485 1.00 0.00 N ATOM 1000 CA ASP A 67 14.522 16.746 -0.854 1.00 0.00 C ATOM 1001 C ASP A 67 14.381 16.594 0.658 1.00 0.00 C ATOM 1002 O ASP A 67 15.239 16.002 1.314 1.00 0.00 O ATOM 1003 CB ASP A 67 15.304 18.024 -1.172 1.00 0.00 C ATOM 1004 CG ASP A 67 16.615 18.046 -0.393 1.00 0.00 C ATOM 1005 OD1 ASP A 67 17.589 17.506 -0.892 1.00 0.00 O ATOM 1006 OD2 ASP A 67 16.627 18.605 0.691 1.00 0.00 O ATOM 0 H ASP A 67 13.013 17.663 -1.991 1.00 0.00 H new ATOM 0 HA ASP A 67 15.062 15.884 -1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.507 18.078 -2.242 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.706 18.898 -0.916 1.00 0.00 H new ATOM 1011 N MET A 68 13.296 17.138 1.208 1.00 0.00 N ATOM 1012 CA MET A 68 13.051 17.065 2.649 1.00 0.00 C ATOM 1013 C MET A 68 12.216 15.836 3.000 1.00 0.00 C ATOM 1014 O MET A 68 12.399 15.237 4.059 1.00 0.00 O ATOM 1015 CB MET A 68 12.326 18.329 3.114 1.00 0.00 C ATOM 1016 CG MET A 68 13.171 19.556 2.767 1.00 0.00 C ATOM 1017 SD MET A 68 12.226 21.060 3.117 1.00 0.00 S ATOM 1018 CE MET A 68 13.080 22.137 1.941 1.00 0.00 C ATOM 0 H MET A 68 12.576 17.632 0.681 1.00 0.00 H new ATOM 0 HA MET A 68 14.012 16.985 3.157 1.00 0.00 H new ATOM 0 HB2 MET A 68 11.350 18.399 2.635 1.00 0.00 H new ATOM 0 HB3 MET A 68 12.151 18.286 4.189 1.00 0.00 H new ATOM 0 HG2 MET A 68 14.094 19.551 3.347 1.00 0.00 H new ATOM 0 HG3 MET A 68 13.455 19.529 1.715 1.00 0.00 H new ATOM 0 HE1 MET A 68 12.651 23.138 1.987 1.00 0.00 H new ATOM 0 HE2 MET A 68 14.139 22.184 2.193 1.00 0.00 H new ATOM 0 HE3 MET A 68 12.964 21.739 0.933 1.00 0.00 H new ATOM 1028 N LEU A 69 11.299 15.465 2.111 1.00 0.00 N ATOM 1029 CA LEU A 69 10.449 14.303 2.355 1.00 0.00 C ATOM 1030 C LEU A 69 11.303 13.108 2.775 1.00 0.00 C ATOM 1031 O LEU A 69 12.038 12.540 1.967 1.00 0.00 O ATOM 1032 CB LEU A 69 9.644 13.961 1.092 1.00 0.00 C ATOM 1033 CG LEU A 69 8.432 13.077 1.451 1.00 0.00 C ATOM 1034 CD1 LEU A 69 7.329 13.911 2.135 1.00 0.00 C ATOM 1035 CD2 LEU A 69 7.869 12.448 0.170 1.00 0.00 C ATOM 0 H LEU A 69 11.126 15.944 1.227 1.00 0.00 H new ATOM 0 HA LEU A 69 9.753 14.539 3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.304 14.878 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.281 13.442 0.376 1.00 0.00 H new ATOM 0 HG LEU A 69 8.759 12.299 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.484 13.267 2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.723 14.355 3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.999 14.701 1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.012 11.822 0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.556 13.236 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.638 11.839 -0.304 1.00 0.00 H new ATOM 1047 N ASP A 70 11.212 12.746 4.051 1.00 0.00 N ATOM 1048 CA ASP A 70 11.987 11.632 4.588 1.00 0.00 C ATOM 1049 C ASP A 70 11.996 10.436 3.637 1.00 0.00 C ATOM 1050 O ASP A 70 12.914 9.620 3.675 1.00 0.00 O ATOM 1051 CB ASP A 70 11.412 11.203 5.940 1.00 0.00 C ATOM 1052 CG ASP A 70 9.937 10.847 5.791 1.00 0.00 C ATOM 1053 OD1 ASP A 70 9.128 11.760 5.751 1.00 0.00 O ATOM 1054 OD2 ASP A 70 9.637 9.667 5.720 1.00 0.00 O ATOM 0 H ASP A 70 10.610 13.208 4.732 1.00 0.00 H new ATOM 0 HA ASP A 70 13.015 11.974 4.710 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.964 10.345 6.324 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.529 12.008 6.666 1.00 0.00 H new ATOM 1059 N THR A 71 10.981 10.341 2.782 1.00 0.00 N ATOM 1060 CA THR A 71 10.900 9.235 1.829 1.00 0.00 C ATOM 1061 C THR A 71 12.256 9.007 1.149 1.00 0.00 C ATOM 1062 O THR A 71 12.646 9.797 0.291 1.00 0.00 O ATOM 1063 CB THR A 71 9.865 9.551 0.748 1.00 0.00 C ATOM 1064 OG1 THR A 71 8.666 10.010 1.357 1.00 0.00 O ATOM 1065 CG2 THR A 71 9.580 8.288 -0.069 1.00 0.00 C ATOM 0 H THR A 71 10.211 11.008 2.728 1.00 0.00 H new ATOM 0 HA THR A 71 10.611 8.339 2.377 1.00 0.00 H new ATOM 0 HB THR A 71 10.252 10.328 0.088 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.900 9.766 0.796 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.842 8.512 -0.840 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.501 7.942 -0.538 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.193 7.509 0.588 1.00 0.00 H new ATOM 1073 N PRO A 72 12.987 7.961 1.486 1.00 0.00 N ATOM 1074 CA PRO A 72 14.306 7.696 0.840 1.00 0.00 C ATOM 1075 C PRO A 72 14.185 7.687 -0.685 1.00 0.00 C ATOM 1076 O PRO A 72 13.156 8.071 -1.238 1.00 0.00 O ATOM 1077 CB PRO A 72 14.715 6.312 1.376 1.00 0.00 C ATOM 1078 CG PRO A 72 13.968 6.152 2.661 1.00 0.00 C ATOM 1079 CD PRO A 72 12.659 6.928 2.492 1.00 0.00 C ATOM 0 HA PRO A 72 15.044 8.465 1.068 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.456 5.524 0.669 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.792 6.255 1.537 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.773 5.100 2.870 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.546 6.541 3.499 1.00 0.00 H new ATOM 0 HD2 PRO A 72 11.851 6.280 2.151 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.335 7.374 3.432 1.00 0.00 H new ATOM 1087 N MET A 73 15.236 7.224 -1.353 1.00 0.00 N ATOM 1088 CA MET A 73 15.249 7.140 -2.814 1.00 0.00 C ATOM 1089 C MET A 73 15.103 5.686 -3.233 1.00 0.00 C ATOM 1090 O MET A 73 14.945 5.376 -4.412 1.00 0.00 O ATOM 1091 CB MET A 73 16.563 7.705 -3.361 1.00 0.00 C ATOM 1092 CG MET A 73 16.448 7.935 -4.871 1.00 0.00 C ATOM 1093 SD MET A 73 17.897 8.851 -5.452 1.00 0.00 S ATOM 1094 CE MET A 73 19.000 7.432 -5.652 1.00 0.00 C ATOM 0 H MET A 73 16.094 6.899 -0.907 1.00 0.00 H new ATOM 0 HA MET A 73 14.421 7.723 -3.216 1.00 0.00 H new ATOM 0 HB2 MET A 73 16.802 8.643 -2.859 1.00 0.00 H new ATOM 0 HB3 MET A 73 17.380 7.015 -3.151 1.00 0.00 H new ATOM 0 HG2 MET A 73 16.375 6.980 -5.391 1.00 0.00 H new ATOM 0 HG3 MET A 73 15.538 8.491 -5.097 1.00 0.00 H new ATOM 0 HE1 MET A 73 19.965 7.772 -6.027 1.00 0.00 H new ATOM 0 HE2 MET A 73 19.138 6.940 -4.689 1.00 0.00 H new ATOM 0 HE3 MET A 73 18.563 6.728 -6.360 1.00 0.00 H new ATOM 1104 N SER A 74 15.154 4.797 -2.242 1.00 0.00 N ATOM 1105 CA SER A 74 15.025 3.362 -2.479 1.00 0.00 C ATOM 1106 C SER A 74 13.608 2.900 -2.156 1.00 0.00 C ATOM 1107 O SER A 74 13.131 1.907 -2.703 1.00 0.00 O ATOM 1108 CB SER A 74 16.020 2.599 -1.604 1.00 0.00 C ATOM 1109 OG SER A 74 15.871 1.204 -1.830 1.00 0.00 O ATOM 0 H SER A 74 15.285 5.049 -1.262 1.00 0.00 H new ATOM 0 HA SER A 74 15.236 3.161 -3.529 1.00 0.00 H new ATOM 0 HB2 SER A 74 17.039 2.910 -1.836 1.00 0.00 H new ATOM 0 HB3 SER A 74 15.848 2.829 -0.553 1.00 0.00 H new ATOM 0 HG SER A 74 15.052 0.888 -1.395 1.00 0.00 H new ATOM 1115 N ALA A 75 12.938 3.627 -1.263 1.00 0.00 N ATOM 1116 CA ALA A 75 11.577 3.281 -0.878 1.00 0.00 C ATOM 1117 C ALA A 75 10.669 3.263 -2.103 1.00 0.00 C ATOM 1118 O ALA A 75 9.738 2.463 -2.191 1.00 0.00 O ATOM 1119 CB ALA A 75 11.053 4.293 0.136 1.00 0.00 C ATOM 0 H ALA A 75 13.315 4.453 -0.797 1.00 0.00 H new ATOM 0 HA ALA A 75 11.582 2.288 -0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.034 4.029 0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.690 4.285 1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.059 5.289 -0.307 1.00 0.00 H new ATOM 1125 N LEU A 76 10.945 4.154 -3.045 1.00 0.00 N ATOM 1126 CA LEU A 76 10.146 4.223 -4.258 1.00 0.00 C ATOM 1127 C LEU A 76 10.370 2.972 -5.087 1.00 0.00 C ATOM 1128 O LEU A 76 9.440 2.224 -5.389 1.00 0.00 O ATOM 1129 CB LEU A 76 10.535 5.433 -5.115 1.00 0.00 C ATOM 1130 CG LEU A 76 10.573 6.734 -4.292 1.00 0.00 C ATOM 1131 CD1 LEU A 76 9.348 6.819 -3.380 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.861 6.839 -3.445 1.00 0.00 C ATOM 0 H LEU A 76 11.706 4.831 -2.994 1.00 0.00 H new ATOM 0 HA LEU A 76 9.101 4.314 -3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.513 5.260 -5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.823 5.542 -5.933 1.00 0.00 H new ATOM 0 HG LEU A 76 10.564 7.566 -4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.387 7.743 -2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.442 6.807 -3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.341 5.967 -2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.849 7.771 -2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.913 5.996 -2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.731 6.824 -4.102 1.00 0.00 H new ATOM 1144 N LYS A 77 11.624 2.773 -5.461 1.00 0.00 N ATOM 1145 CA LYS A 77 12.010 1.633 -6.272 1.00 0.00 C ATOM 1146 C LYS A 77 11.673 0.333 -5.548 1.00 0.00 C ATOM 1147 O LYS A 77 11.710 -0.746 -6.138 1.00 0.00 O ATOM 1148 CB LYS A 77 13.516 1.719 -6.602 1.00 0.00 C ATOM 1149 CG LYS A 77 13.953 3.204 -6.636 1.00 0.00 C ATOM 1150 CD LYS A 77 15.115 3.406 -7.617 1.00 0.00 C ATOM 1151 CE LYS A 77 15.866 4.695 -7.267 1.00 0.00 C ATOM 1152 NZ LYS A 77 16.791 5.049 -8.380 1.00 0.00 N ATOM 0 H LYS A 77 12.396 3.392 -5.213 1.00 0.00 H new ATOM 0 HA LYS A 77 11.452 1.645 -7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.094 1.176 -5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 77 13.716 1.248 -7.564 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.110 3.829 -6.930 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.254 3.522 -5.638 1.00 0.00 H new ATOM 0 HD2 LYS A 77 15.794 2.554 -7.572 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.737 3.459 -8.638 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.158 5.506 -7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.427 4.562 -6.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 17.301 5.924 -8.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 17.474 4.278 -8.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 16.245 5.193 -9.253 1.00 0.00 H new ATOM 1166 N ASP A 78 11.305 0.453 -4.272 1.00 0.00 N ATOM 1167 CA ASP A 78 10.917 -0.707 -3.479 1.00 0.00 C ATOM 1168 C ASP A 78 9.425 -0.961 -3.667 1.00 0.00 C ATOM 1169 O ASP A 78 9.005 -2.068 -4.004 1.00 0.00 O ATOM 1170 CB ASP A 78 11.225 -0.452 -1.995 1.00 0.00 C ATOM 1171 CG ASP A 78 12.704 -0.699 -1.712 1.00 0.00 C ATOM 1172 OD1 ASP A 78 13.230 -1.675 -2.220 1.00 0.00 O ATOM 1173 OD2 ASP A 78 13.288 0.093 -0.990 1.00 0.00 O ATOM 0 H ASP A 78 11.268 1.340 -3.770 1.00 0.00 H new ATOM 0 HA ASP A 78 11.480 -1.581 -3.807 1.00 0.00 H new ATOM 0 HB2 ASP A 78 10.964 0.573 -1.733 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.614 -1.106 -1.372 1.00 0.00 H new ATOM 1178 N ALA A 79 8.633 0.084 -3.442 1.00 0.00 N ATOM 1179 CA ALA A 79 7.185 -0.009 -3.580 1.00 0.00 C ATOM 1180 C ALA A 79 6.780 -0.189 -5.043 1.00 0.00 C ATOM 1181 O ALA A 79 6.086 -1.148 -5.379 1.00 0.00 O ATOM 1182 CB ALA A 79 6.530 1.255 -3.014 1.00 0.00 C ATOM 0 H ALA A 79 8.971 1.005 -3.163 1.00 0.00 H new ATOM 0 HA ALA A 79 6.844 -0.881 -3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.448 1.182 -3.119 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.786 1.357 -1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.889 2.127 -3.560 1.00 0.00 H new ATOM 1188 N VAL A 80 7.201 0.751 -5.900 1.00 0.00 N ATOM 1189 CA VAL A 80 6.867 0.710 -7.331 1.00 0.00 C ATOM 1190 C VAL A 80 6.819 -0.726 -7.849 1.00 0.00 C ATOM 1191 O VAL A 80 6.127 -1.031 -8.819 1.00 0.00 O ATOM 1192 CB VAL A 80 7.884 1.543 -8.124 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.126 0.714 -8.464 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.248 2.041 -9.426 1.00 0.00 C ATOM 0 H VAL A 80 7.774 1.550 -5.627 1.00 0.00 H new ATOM 0 HA VAL A 80 5.874 1.138 -7.467 1.00 0.00 H new ATOM 0 HB VAL A 80 8.181 2.389 -7.505 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.830 1.328 -9.026 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.598 0.371 -7.543 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.835 -0.147 -9.065 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.975 2.631 -9.984 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.935 1.188 -10.028 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.380 2.659 -9.194 1.00 0.00 H new ATOM 1204 N ARG A 81 7.555 -1.597 -7.179 1.00 0.00 N ATOM 1205 CA ARG A 81 7.594 -3.004 -7.553 1.00 0.00 C ATOM 1206 C ARG A 81 6.347 -3.702 -7.038 1.00 0.00 C ATOM 1207 O ARG A 81 5.603 -4.331 -7.789 1.00 0.00 O ATOM 1208 CB ARG A 81 8.827 -3.681 -6.948 1.00 0.00 C ATOM 1209 CG ARG A 81 8.951 -5.107 -7.494 1.00 0.00 C ATOM 1210 CD ARG A 81 10.105 -5.824 -6.793 1.00 0.00 C ATOM 1211 NE ARG A 81 11.383 -5.331 -7.296 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.534 -5.715 -6.752 1.00 0.00 C ATOM 1213 NH1 ARG A 81 12.537 -6.553 -5.751 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.662 -5.253 -7.218 1.00 0.00 N ATOM 0 H ARG A 81 8.134 -1.357 -6.374 1.00 0.00 H new ATOM 0 HA ARG A 81 7.641 -3.075 -8.640 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.723 -3.109 -7.189 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.746 -3.703 -5.861 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.020 -5.651 -7.334 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.125 -5.082 -8.570 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.043 -5.663 -5.717 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.030 -6.899 -6.960 1.00 0.00 H new ATOM 0 HE ARG A 81 11.394 -4.679 -8.080 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.656 -6.914 -5.385 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.421 -6.847 -5.335 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.661 -4.597 -7.999 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.545 -5.547 -6.801 1.00 0.00 H new ATOM 1228 N ILE A 82 6.152 -3.603 -5.736 1.00 0.00 N ATOM 1229 CA ILE A 82 5.022 -4.239 -5.088 1.00 0.00 C ATOM 1230 C ILE A 82 3.706 -3.971 -5.837 1.00 0.00 C ATOM 1231 O ILE A 82 2.900 -4.888 -5.998 1.00 0.00 O ATOM 1232 CB ILE A 82 4.940 -3.771 -3.626 1.00 0.00 C ATOM 1233 CG1 ILE A 82 6.008 -4.500 -2.798 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.557 -4.084 -3.050 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.117 -3.854 -1.418 1.00 0.00 C ATOM 0 H ILE A 82 6.765 -3.086 -5.105 1.00 0.00 H new ATOM 0 HA ILE A 82 5.174 -5.318 -5.108 1.00 0.00 H new ATOM 0 HB ILE A 82 5.109 -2.695 -3.587 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.748 -5.554 -2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.970 -4.456 -3.308 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.510 -3.748 -2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.795 -3.568 -3.634 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.380 -5.159 -3.092 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.876 -4.373 -0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.397 -2.806 -1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.156 -3.921 -0.908 1.00 0.00 H new ATOM 1247 N LEU A 83 3.472 -2.736 -6.299 1.00 0.00 N ATOM 1248 CA LEU A 83 2.221 -2.459 -7.018 1.00 0.00 C ATOM 1249 C LEU A 83 2.312 -2.994 -8.442 1.00 0.00 C ATOM 1250 O LEU A 83 1.327 -3.486 -8.991 1.00 0.00 O ATOM 1251 CB LEU A 83 1.842 -0.947 -7.065 1.00 0.00 C ATOM 1252 CG LEU A 83 2.471 -0.124 -5.917 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.523 -0.904 -4.594 1.00 0.00 C ATOM 1254 CD2 LEU A 83 3.854 0.343 -6.326 1.00 0.00 C ATOM 0 H LEU A 83 4.103 -1.942 -6.195 1.00 0.00 H new ATOM 0 HA LEU A 83 1.434 -2.965 -6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.161 -0.529 -8.020 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.757 -0.850 -7.021 1.00 0.00 H new ATOM 0 HG LEU A 83 1.833 0.742 -5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.973 -0.281 -3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.512 -1.180 -4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.121 -1.806 -4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.296 0.923 -5.516 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.482 -0.522 -6.538 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.779 0.964 -7.218 1.00 0.00 H new ATOM 1266 N TRP A 84 3.497 -2.903 -9.041 1.00 0.00 N ATOM 1267 CA TRP A 84 3.680 -3.399 -10.410 1.00 0.00 C ATOM 1268 C TRP A 84 3.055 -4.792 -10.538 1.00 0.00 C ATOM 1269 O TRP A 84 2.695 -5.228 -11.632 1.00 0.00 O ATOM 1270 CB TRP A 84 5.192 -3.464 -10.744 1.00 0.00 C ATOM 1271 CG TRP A 84 5.587 -2.438 -11.765 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.306 -2.702 -12.880 1.00 0.00 C ATOM 1273 CD2 TRP A 84 5.325 -1.004 -11.778 1.00 0.00 C ATOM 1274 NE1 TRP A 84 6.504 -1.524 -13.574 1.00 0.00 N ATOM 1275 CE2 TRP A 84 5.919 -0.450 -12.936 1.00 0.00 C ATOM 1276 CE3 TRP A 84 4.638 -0.139 -10.907 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 5.835 0.913 -13.222 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 4.551 1.234 -11.192 1.00 0.00 C ATOM 1279 CH2 TRP A 84 5.152 1.757 -12.347 1.00 0.00 C ATOM 0 H TRP A 84 4.331 -2.500 -8.614 1.00 0.00 H new ATOM 0 HA TRP A 84 3.191 -2.722 -11.110 1.00 0.00 H new ATOM 0 HB2 TRP A 84 5.771 -3.311 -9.833 1.00 0.00 H new ATOM 0 HB3 TRP A 84 5.439 -4.459 -11.115 1.00 0.00 H new ATOM 0 HD1 TRP A 84 6.667 -3.675 -13.179 1.00 0.00 H new ATOM 0 HE1 TRP A 84 7.020 -1.457 -14.451 1.00 0.00 H new ATOM 0 HE3 TRP A 84 4.175 -0.533 -10.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 6.295 1.311 -14.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 4.019 1.890 -10.519 1.00 0.00 H new ATOM 0 HH2 TRP A 84 5.086 2.814 -12.558 1.00 0.00 H new ATOM 1290 N GLY A 85 2.946 -5.484 -9.407 1.00 0.00 N ATOM 1291 CA GLY A 85 2.380 -6.829 -9.385 1.00 0.00 C ATOM 1292 C GLY A 85 3.476 -7.873 -9.573 1.00 0.00 C ATOM 1293 O GLY A 85 3.202 -9.019 -9.927 1.00 0.00 O ATOM 0 H GLY A 85 3.242 -5.136 -8.495 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.867 -6.998 -8.438 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.635 -6.929 -10.174 1.00 0.00 H new ATOM 1297 N GLU A 86 4.724 -7.463 -9.330 1.00 0.00 N ATOM 1298 CA GLU A 86 5.872 -8.362 -9.472 1.00 0.00 C ATOM 1299 C GLU A 86 6.461 -8.691 -8.104 1.00 0.00 C ATOM 1300 O GLU A 86 7.439 -9.432 -8.005 1.00 0.00 O ATOM 1301 CB GLU A 86 6.942 -7.703 -10.347 1.00 0.00 C ATOM 1302 CG GLU A 86 6.485 -7.718 -11.806 1.00 0.00 C ATOM 1303 CD GLU A 86 7.468 -6.933 -12.669 1.00 0.00 C ATOM 1304 OE1 GLU A 86 8.640 -7.273 -12.655 1.00 0.00 O ATOM 1305 OE2 GLU A 86 7.035 -6.002 -13.328 1.00 0.00 O ATOM 0 H GLU A 86 4.965 -6.517 -9.035 1.00 0.00 H new ATOM 0 HA GLU A 86 5.536 -9.286 -9.943 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.115 -6.678 -10.019 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.888 -8.234 -10.245 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.415 -8.745 -12.163 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.489 -7.283 -11.888 1.00 0.00 H new ATOM 1312 N ALA A 87 5.859 -8.129 -7.056 1.00 0.00 N ATOM 1313 CA ALA A 87 6.321 -8.361 -5.685 1.00 0.00 C ATOM 1314 C ALA A 87 6.826 -9.799 -5.501 1.00 0.00 C ATOM 1315 O ALA A 87 7.657 -10.069 -4.635 1.00 0.00 O ATOM 1316 CB ALA A 87 5.165 -8.079 -4.705 1.00 0.00 C ATOM 0 H ALA A 87 5.051 -7.510 -7.129 1.00 0.00 H new ATOM 0 HA ALA A 87 7.154 -7.688 -5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.504 -8.250 -3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.842 -7.043 -4.811 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.330 -8.744 -4.926 1.00 0.00 H new ATOM 1322 N GLU A 88 6.305 -10.714 -6.312 1.00 0.00 N ATOM 1323 CA GLU A 88 6.699 -12.117 -6.221 1.00 0.00 C ATOM 1324 C GLU A 88 8.217 -12.269 -6.266 1.00 0.00 C ATOM 1325 O GLU A 88 8.825 -12.784 -5.327 1.00 0.00 O ATOM 1326 CB GLU A 88 6.071 -12.909 -7.369 1.00 0.00 C ATOM 1327 CG GLU A 88 4.547 -12.858 -7.253 1.00 0.00 C ATOM 1328 CD GLU A 88 4.088 -13.677 -6.052 1.00 0.00 C ATOM 1329 OE1 GLU A 88 4.516 -14.814 -5.937 1.00 0.00 O ATOM 1330 OE2 GLU A 88 3.315 -13.156 -5.265 1.00 0.00 O ATOM 0 H GLU A 88 5.614 -10.512 -7.035 1.00 0.00 H new ATOM 0 HA GLU A 88 6.343 -12.506 -5.267 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.387 -12.494 -8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.414 -13.943 -7.341 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.216 -11.825 -7.147 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.091 -13.246 -8.164 1.00 0.00 H new