USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 417 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 16 SER OG : rot 70:sc= -0.264 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 177:sc= 0.404 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -162:sc= -0.616 (180deg=-1.47) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -83:sc= 0.0107 USER MOD Single : A 27 CYS SG : rot -89:sc= -4.05! USER MOD Single : A 28 GLN : amide:sc= 0.528 K(o=0.53,f=0) USER MOD Single : A 29 THR OG1 : rot -43:sc= 0.32 USER MOD Single : A 39 TYR OH : rot -141:sc= 0.104 USER MOD Single : A 40 TYR OH : rot -39:sc= 1.15 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -167:sc= 0.738 (180deg=0.631) USER MOD Single : A 71 SER OG : rot -54:sc= 0.103 USER MOD ----------------------------------------------------------------- ATOM 206 N TYR A 13 13.107 -0.959 -1.139 1.00 0.00 N ATOM 207 CA TYR A 13 12.586 -1.218 -2.481 1.00 0.00 C ATOM 208 C TYR A 13 11.961 -2.623 -2.632 1.00 0.00 C ATOM 209 O TYR A 13 11.057 -2.813 -3.446 1.00 0.00 O ATOM 210 CB TYR A 13 13.742 -0.921 -3.451 1.00 0.00 C ATOM 211 CG TYR A 13 14.335 0.484 -3.359 1.00 0.00 C ATOM 212 CD1 TYR A 13 13.579 1.565 -2.849 1.00 0.00 C ATOM 213 CD2 TYR A 13 15.667 0.722 -3.762 1.00 0.00 C ATOM 214 CE1 TYR A 13 14.155 2.832 -2.658 1.00 0.00 C ATOM 215 CE2 TYR A 13 16.239 2.003 -3.609 1.00 0.00 C ATOM 216 CZ TYR A 13 15.488 3.049 -3.048 1.00 0.00 C ATOM 217 OH TYR A 13 16.054 4.278 -2.881 1.00 0.00 O ATOM 0 HA TYR A 13 11.740 -0.569 -2.708 1.00 0.00 H new ATOM 0 HB2 TYR A 13 14.538 -1.644 -3.272 1.00 0.00 H new ATOM 0 HB3 TYR A 13 13.388 -1.081 -4.470 1.00 0.00 H new ATOM 0 HD1 TYR A 13 12.539 1.414 -2.602 1.00 0.00 H new ATOM 0 HD2 TYR A 13 16.251 -0.080 -4.189 1.00 0.00 H new ATOM 0 HE1 TYR A 13 13.579 3.632 -2.216 1.00 0.00 H new ATOM 0 HE2 TYR A 13 17.257 2.180 -3.924 1.00 0.00 H new ATOM 0 HH TYR A 13 16.980 4.258 -3.201 1.00 0.00 H new ATOM 227 N GLU A 14 12.340 -3.581 -1.769 1.00 0.00 N ATOM 228 CA GLU A 14 11.540 -4.793 -1.443 1.00 0.00 C ATOM 229 C GLU A 14 10.369 -4.519 -0.494 1.00 0.00 C ATOM 230 O GLU A 14 9.382 -5.253 -0.489 1.00 0.00 O ATOM 231 CB GLU A 14 12.379 -5.885 -0.780 1.00 0.00 C ATOM 232 CG GLU A 14 13.617 -6.266 -1.585 1.00 0.00 C ATOM 233 CD GLU A 14 14.295 -7.481 -0.965 1.00 0.00 C ATOM 234 OE1 GLU A 14 15.153 -7.298 -0.063 1.00 0.00 O ATOM 235 OE2 GLU A 14 13.980 -8.618 -1.379 1.00 0.00 O ATOM 0 H GLU A 14 13.226 -3.542 -1.265 1.00 0.00 H new ATOM 0 HA GLU A 14 11.165 -5.117 -2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.687 -5.547 0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.761 -6.771 -0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.337 -6.483 -2.616 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.313 -5.428 -1.614 1.00 0.00 H new ATOM 242 N ALA A 15 10.487 -3.467 0.321 1.00 0.00 N ATOM 243 CA ALA A 15 9.608 -3.164 1.453 1.00 0.00 C ATOM 244 C ALA A 15 8.150 -2.958 1.055 1.00 0.00 C ATOM 245 O ALA A 15 7.201 -3.388 1.717 1.00 0.00 O ATOM 246 CB ALA A 15 10.027 -1.814 2.058 1.00 0.00 C ATOM 0 H ALA A 15 11.228 -2.775 0.205 1.00 0.00 H new ATOM 0 HA ALA A 15 9.696 -4.015 2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.380 -1.577 2.902 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.061 -1.873 2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.938 -1.033 1.302 1.00 0.00 H new ATOM 252 N SER A 16 8.036 -2.182 -0.017 1.00 0.00 N ATOM 253 CA SER A 16 6.894 -1.359 -0.356 1.00 0.00 C ATOM 254 C SER A 16 5.590 -2.162 -0.520 1.00 0.00 C ATOM 255 O SER A 16 4.488 -1.715 -0.203 1.00 0.00 O ATOM 256 CB SER A 16 7.301 -0.702 -1.677 1.00 0.00 C ATOM 257 OG SER A 16 8.251 0.346 -1.552 1.00 0.00 O ATOM 0 H SER A 16 8.783 -2.110 -0.708 1.00 0.00 H new ATOM 0 HA SER A 16 6.670 -0.646 0.438 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.710 -1.467 -2.337 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.408 -0.308 -2.161 1.00 0.00 H new ATOM 0 HG SER A 16 9.119 -0.029 -1.295 1.00 0.00 H new ATOM 263 N ILE A 17 5.749 -3.388 -1.007 1.00 0.00 N ATOM 264 CA ILE A 17 4.751 -4.214 -1.701 1.00 0.00 C ATOM 265 C ILE A 17 4.625 -5.611 -1.042 1.00 0.00 C ATOM 266 O ILE A 17 3.835 -6.455 -1.471 1.00 0.00 O ATOM 267 CB ILE A 17 5.211 -4.189 -3.194 1.00 0.00 C ATOM 268 CG1 ILE A 17 4.581 -3.067 -4.070 1.00 0.00 C ATOM 269 CG2 ILE A 17 5.060 -5.511 -3.971 1.00 0.00 C ATOM 270 CD1 ILE A 17 4.029 -1.787 -3.410 1.00 0.00 C ATOM 0 H ILE A 17 6.643 -3.872 -0.924 1.00 0.00 H new ATOM 0 HA ILE A 17 3.728 -3.843 -1.634 1.00 0.00 H new ATOM 0 HB ILE A 17 6.271 -3.985 -3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.336 -2.758 -4.793 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.765 -3.517 -4.635 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.410 -5.374 -4.994 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.651 -6.288 -3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.011 -5.808 -3.983 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.631 -1.124 -4.178 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.234 -2.051 -2.712 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.830 -1.280 -2.872 1.00 0.00 H new ATOM 282 N ASP A 18 5.365 -5.840 0.055 1.00 0.00 N ATOM 283 CA ASP A 18 5.476 -7.124 0.774 1.00 0.00 C ATOM 284 C ASP A 18 4.204 -7.503 1.552 1.00 0.00 C ATOM 285 O ASP A 18 3.885 -8.688 1.689 1.00 0.00 O ATOM 286 CB ASP A 18 6.681 -7.077 1.731 1.00 0.00 C ATOM 287 CG ASP A 18 6.971 -8.424 2.426 1.00 0.00 C ATOM 288 OD1 ASP A 18 7.442 -9.368 1.745 1.00 0.00 O ATOM 289 OD2 ASP A 18 6.777 -8.536 3.662 1.00 0.00 O ATOM 0 H ASP A 18 5.927 -5.105 0.485 1.00 0.00 H new ATOM 0 HA ASP A 18 5.617 -7.897 0.018 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.565 -6.768 1.174 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.501 -6.317 2.491 1.00 0.00 H new ATOM 294 N GLU A 19 3.461 -6.495 2.022 1.00 0.00 N ATOM 295 CA GLU A 19 2.170 -6.645 2.741 1.00 0.00 C ATOM 296 C GLU A 19 1.065 -5.714 2.247 1.00 0.00 C ATOM 297 O GLU A 19 -0.065 -6.145 2.070 1.00 0.00 O ATOM 298 CB GLU A 19 2.330 -6.426 4.257 1.00 0.00 C ATOM 299 CG GLU A 19 3.297 -7.419 4.897 1.00 0.00 C ATOM 300 CD GLU A 19 3.281 -7.246 6.412 1.00 0.00 C ATOM 301 OE1 GLU A 19 3.969 -6.330 6.914 1.00 0.00 O ATOM 302 OE2 GLU A 19 2.591 -8.035 7.099 1.00 0.00 O ATOM 0 H GLU A 19 3.741 -5.520 1.915 1.00 0.00 H new ATOM 0 HA GLU A 19 1.870 -7.671 2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.685 -5.411 4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.355 -6.513 4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.014 -8.438 4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.305 -7.259 4.513 1.00 0.00 H new ATOM 309 N PHE A 20 1.387 -4.449 1.959 1.00 0.00 N ATOM 310 CA PHE A 20 0.468 -3.359 1.583 1.00 0.00 C ATOM 311 C PHE A 20 -0.373 -3.687 0.335 1.00 0.00 C ATOM 312 O PHE A 20 -1.587 -3.669 0.376 1.00 0.00 O ATOM 313 CB PHE A 20 1.373 -2.149 1.267 1.00 0.00 C ATOM 314 CG PHE A 20 0.844 -0.762 1.562 1.00 0.00 C ATOM 315 CD1 PHE A 20 -0.455 -0.376 1.179 1.00 0.00 C ATOM 316 CD2 PHE A 20 1.722 0.196 2.102 1.00 0.00 C ATOM 317 CE1 PHE A 20 -0.852 0.964 1.303 1.00 0.00 C ATOM 318 CE2 PHE A 20 1.328 1.531 2.237 1.00 0.00 C ATOM 319 CZ PHE A 20 0.044 1.912 1.828 1.00 0.00 C ATOM 0 H PHE A 20 2.357 -4.134 1.982 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.239 -3.180 2.393 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.303 -2.275 1.822 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.626 -2.190 0.207 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.145 -1.111 0.790 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.711 -0.103 2.416 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.842 1.266 0.996 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.007 2.261 2.652 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.261 2.944 1.917 1.00 0.00 H new ATOM 329 N MET A 21 0.242 -4.154 -0.737 1.00 0.00 N ATOM 330 CA MET A 21 -0.416 -4.610 -1.976 1.00 0.00 C ATOM 331 C MET A 21 -1.401 -5.747 -1.725 1.00 0.00 C ATOM 332 O MET A 21 -2.430 -5.848 -2.382 1.00 0.00 O ATOM 333 CB MET A 21 0.660 -5.171 -2.914 1.00 0.00 C ATOM 334 CG MET A 21 1.220 -4.096 -3.818 1.00 0.00 C ATOM 335 SD MET A 21 0.122 -3.499 -5.124 1.00 0.00 S ATOM 336 CE MET A 21 -0.787 -4.973 -5.695 1.00 0.00 C ATOM 0 H MET A 21 1.258 -4.234 -0.783 1.00 0.00 H new ATOM 0 HA MET A 21 -0.950 -3.757 -2.394 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.466 -5.609 -2.325 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.235 -5.972 -3.519 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.511 -3.246 -3.200 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.129 -4.478 -4.283 1.00 0.00 H new ATOM 0 HE1 MET A 21 -1.225 -4.774 -6.673 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.101 -5.817 -5.769 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.579 -5.210 -4.984 1.00 0.00 H new ATOM 346 N GLY A 22 -1.125 -6.564 -0.718 1.00 0.00 N ATOM 347 CA GLY A 22 -2.037 -7.563 -0.176 1.00 0.00 C ATOM 348 C GLY A 22 -3.150 -6.910 0.631 1.00 0.00 C ATOM 349 O GLY A 22 -4.288 -7.346 0.562 1.00 0.00 O ATOM 0 H GLY A 22 -0.225 -6.549 -0.237 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.468 -8.146 -0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.485 -8.258 0.456 1.00 0.00 H new ATOM 353 N LYS A 23 -2.848 -5.864 1.399 1.00 0.00 N ATOM 354 CA LYS A 23 -3.732 -5.212 2.316 1.00 0.00 C ATOM 355 C LYS A 23 -4.854 -4.557 1.504 1.00 0.00 C ATOM 356 O LYS A 23 -6.035 -4.719 1.805 1.00 0.00 O ATOM 357 CB LYS A 23 -2.908 -4.392 3.321 1.00 0.00 C ATOM 358 CG LYS A 23 -2.902 -2.899 3.143 1.00 0.00 C ATOM 359 CD LYS A 23 -2.080 -2.214 4.246 1.00 0.00 C ATOM 360 CE LYS A 23 -2.815 -2.256 5.580 1.00 0.00 C ATOM 361 NZ LYS A 23 -1.961 -1.870 6.725 1.00 0.00 N ATOM 0 H LYS A 23 -1.922 -5.437 1.384 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.281 -5.870 2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.279 -4.612 4.322 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.877 -4.742 3.279 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.487 -2.648 2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.925 -2.523 3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.113 -2.708 4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.883 -1.179 3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.676 -1.589 5.535 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.200 -3.262 5.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.516 -1.918 7.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.153 -2.521 6.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.614 -0.899 6.587 1.00 0.00 H new ATOM 375 N ILE A 24 -4.478 -3.913 0.388 1.00 0.00 N ATOM 376 CA ILE A 24 -5.408 -3.486 -0.661 1.00 0.00 C ATOM 377 C ILE A 24 -6.023 -4.586 -1.536 1.00 0.00 C ATOM 378 O ILE A 24 -7.229 -4.553 -1.777 1.00 0.00 O ATOM 379 CB ILE A 24 -4.770 -2.422 -1.552 1.00 0.00 C ATOM 380 CG1 ILE A 24 -3.318 -2.554 -1.958 1.00 0.00 C ATOM 381 CG2 ILE A 24 -4.994 -1.066 -0.888 1.00 0.00 C ATOM 382 CD1 ILE A 24 -2.945 -1.638 -3.060 1.00 0.00 C ATOM 0 H ILE A 24 -3.507 -3.673 0.189 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.249 -3.084 -0.096 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.274 -2.555 -2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.684 -2.353 -1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.123 -3.582 -2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.549 -0.283 -1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.064 -0.883 -0.786 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.530 -1.063 0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.893 -1.777 -3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.556 -1.855 -3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.111 -0.607 -2.748 1.00 0.00 H new ATOM 394 N ALA A 25 -5.263 -5.585 -1.979 1.00 0.00 N ATOM 395 CA ALA A 25 -5.818 -6.679 -2.792 1.00 0.00 C ATOM 396 C ALA A 25 -6.864 -7.488 -2.000 1.00 0.00 C ATOM 397 O ALA A 25 -7.761 -8.100 -2.583 1.00 0.00 O ATOM 398 CB ALA A 25 -4.712 -7.591 -3.339 1.00 0.00 C ATOM 0 H ALA A 25 -4.263 -5.665 -1.793 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.322 -6.227 -3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.158 -8.387 -3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.035 -7.008 -3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.156 -8.027 -2.509 1.00 0.00 H new ATOM 404 N SER A 26 -6.772 -7.409 -0.670 1.00 0.00 N ATOM 405 CA SER A 26 -7.611 -8.063 0.308 1.00 0.00 C ATOM 406 C SER A 26 -8.518 -7.099 1.097 1.00 0.00 C ATOM 407 O SER A 26 -9.029 -7.472 2.156 1.00 0.00 O ATOM 408 CB SER A 26 -6.787 -8.999 1.205 1.00 0.00 C ATOM 409 OG SER A 26 -6.478 -8.399 2.450 1.00 0.00 O ATOM 0 H SER A 26 -6.051 -6.840 -0.227 1.00 0.00 H new ATOM 0 HA SER A 26 -8.312 -8.685 -0.248 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.342 -9.922 1.374 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.864 -9.272 0.694 1.00 0.00 H new ATOM 0 HG SER A 26 -5.688 -7.827 2.351 1.00 0.00 H new ATOM 415 N CYS A 27 -8.652 -5.841 0.669 1.00 0.00 N ATOM 416 CA CYS A 27 -9.338 -4.822 1.454 1.00 0.00 C ATOM 417 C CYS A 27 -10.846 -5.122 1.686 1.00 0.00 C ATOM 418 O CYS A 27 -11.491 -4.565 2.577 1.00 0.00 O ATOM 419 CB CYS A 27 -9.164 -3.488 0.732 1.00 0.00 C ATOM 420 SG CYS A 27 -9.997 -3.488 -0.844 1.00 0.00 S ATOM 0 H CYS A 27 -8.290 -5.506 -0.224 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.893 -4.801 2.449 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -9.557 -2.683 1.353 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -8.103 -3.288 0.584 1.00 0.00 H new ATOM 0 HG CYS A 27 -9.190 -3.931 -1.762 1.00 0.00 H new ATOM 426 N GLN A 28 -11.404 -5.994 0.830 1.00 0.00 N ATOM 427 CA GLN A 28 -12.782 -6.557 0.760 1.00 0.00 C ATOM 428 C GLN A 28 -13.941 -5.557 0.614 1.00 0.00 C ATOM 429 O GLN A 28 -15.097 -5.950 0.464 1.00 0.00 O ATOM 430 CB GLN A 28 -13.046 -7.455 1.978 1.00 0.00 C ATOM 431 CG GLN A 28 -12.128 -8.680 2.066 1.00 0.00 C ATOM 432 CD GLN A 28 -11.938 -9.080 3.508 1.00 0.00 C ATOM 433 OE1 GLN A 28 -12.726 -9.820 4.086 1.00 0.00 O ATOM 434 NE2 GLN A 28 -10.919 -8.542 4.145 1.00 0.00 N ATOM 0 H GLN A 28 -10.837 -6.374 0.072 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.781 -7.115 -0.177 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -12.929 -6.862 2.885 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.082 -7.793 1.949 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.559 -9.509 1.504 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.163 -8.455 1.612 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.273 -7.929 3.648 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.775 -8.739 5.135 1.00 0.00 H new ATOM 443 N THR A 29 -13.644 -4.267 0.683 1.00 0.00 N ATOM 444 CA THR A 29 -14.600 -3.167 0.807 1.00 0.00 C ATOM 445 C THR A 29 -13.957 -1.939 0.220 1.00 0.00 C ATOM 446 O THR A 29 -12.770 -1.702 0.452 1.00 0.00 O ATOM 447 CB THR A 29 -14.919 -2.857 2.281 1.00 0.00 C ATOM 448 OG1 THR A 29 -13.749 -2.820 3.088 1.00 0.00 O ATOM 449 CG2 THR A 29 -15.907 -3.841 2.906 1.00 0.00 C ATOM 0 H THR A 29 -12.679 -3.938 0.653 1.00 0.00 H new ATOM 0 HA THR A 29 -15.522 -3.447 0.298 1.00 0.00 H new ATOM 0 HB THR A 29 -15.381 -1.870 2.258 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.166 -3.572 2.854 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.088 -3.565 3.945 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.847 -3.813 2.354 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.492 -4.848 2.865 1.00 0.00 H new ATOM 457 N LEU A 30 -14.701 -1.123 -0.524 1.00 0.00 N ATOM 458 CA LEU A 30 -14.078 0.089 -1.024 1.00 0.00 C ATOM 459 C LEU A 30 -13.843 1.051 0.120 1.00 0.00 C ATOM 460 O LEU A 30 -12.888 1.790 0.186 1.00 0.00 O ATOM 461 CB LEU A 30 -14.963 0.821 -1.998 1.00 0.00 C ATOM 462 CG LEU A 30 -13.987 1.785 -2.687 1.00 0.00 C ATOM 463 CD1 LEU A 30 -13.675 1.409 -4.080 1.00 0.00 C ATOM 464 CD2 LEU A 30 -14.510 3.161 -2.640 1.00 0.00 C ATOM 0 H LEU A 30 -15.678 -1.268 -0.780 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.153 -0.219 -1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.430 0.141 -2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.768 1.354 -1.492 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.051 1.723 -2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.980 2.133 -4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.221 0.418 -4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.593 1.398 -4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.808 3.834 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.472 3.202 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.638 3.466 -1.601 1.00 0.00 H new ATOM 476 N GLU A 31 -14.772 1.004 1.042 1.00 0.00 N ATOM 477 CA GLU A 31 -14.853 1.806 2.212 1.00 0.00 C ATOM 478 C GLU A 31 -13.652 1.576 3.111 1.00 0.00 C ATOM 479 O GLU A 31 -13.128 2.517 3.695 1.00 0.00 O ATOM 480 CB GLU A 31 -16.164 1.350 2.852 1.00 0.00 C ATOM 481 CG GLU A 31 -16.705 2.383 3.778 1.00 0.00 C ATOM 482 CD GLU A 31 -17.843 1.826 4.621 1.00 0.00 C ATOM 483 OE1 GLU A 31 -18.927 1.555 4.061 1.00 0.00 O ATOM 484 OE2 GLU A 31 -17.642 1.658 5.845 1.00 0.00 O ATOM 0 H GLU A 31 -15.549 0.346 0.977 1.00 0.00 H new ATOM 0 HA GLU A 31 -14.843 2.878 2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.896 1.138 2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.000 0.420 3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.909 2.743 4.430 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.060 3.239 3.204 1.00 0.00 H new ATOM 491 N GLY A 32 -13.189 0.325 3.151 1.00 0.00 N ATOM 492 CA GLY A 32 -11.870 -0.022 3.656 1.00 0.00 C ATOM 493 C GLY A 32 -10.692 0.347 2.778 1.00 0.00 C ATOM 494 O GLY A 32 -9.744 0.906 3.286 1.00 0.00 O ATOM 0 H GLY A 32 -13.728 -0.479 2.830 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.738 0.460 4.625 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.843 -1.098 3.829 1.00 0.00 H new ATOM 498 N LEU A 33 -10.751 0.155 1.473 1.00 0.00 N ATOM 499 CA LEU A 33 -9.694 0.543 0.540 1.00 0.00 C ATOM 500 C LEU A 33 -9.373 2.031 0.567 1.00 0.00 C ATOM 501 O LEU A 33 -8.231 2.442 0.475 1.00 0.00 O ATOM 502 CB LEU A 33 -10.263 0.201 -0.838 1.00 0.00 C ATOM 503 CG LEU A 33 -9.396 0.591 -2.045 1.00 0.00 C ATOM 504 CD1 LEU A 33 -7.941 0.216 -1.924 1.00 0.00 C ATOM 505 CD2 LEU A 33 -9.900 -0.155 -3.249 1.00 0.00 C ATOM 0 H LEU A 33 -11.550 -0.284 1.016 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.767 0.031 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.442 -0.873 -0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.232 0.690 -0.940 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.467 1.676 -2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.408 0.530 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.509 0.710 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.852 -0.864 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.297 0.108 -4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.828 -1.228 -3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.940 0.113 -3.434 1.00 0.00 H new ATOM 517 N GLU A 34 -10.413 2.811 0.716 1.00 0.00 N ATOM 518 CA GLU A 34 -10.473 4.244 0.976 1.00 0.00 C ATOM 519 C GLU A 34 -9.908 4.653 2.348 1.00 0.00 C ATOM 520 O GLU A 34 -9.320 5.723 2.493 1.00 0.00 O ATOM 521 CB GLU A 34 -11.935 4.627 0.940 1.00 0.00 C ATOM 522 CG GLU A 34 -12.463 4.847 -0.472 1.00 0.00 C ATOM 523 CD GLU A 34 -12.037 6.208 -1.010 1.00 0.00 C ATOM 524 OE1 GLU A 34 -10.881 6.341 -1.466 1.00 0.00 O ATOM 525 OE2 GLU A 34 -12.871 7.140 -1.001 1.00 0.00 O ATOM 0 H GLU A 34 -11.353 2.419 0.652 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.865 4.749 0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.521 3.845 1.422 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.080 5.538 1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.092 4.060 -1.129 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.551 4.776 -0.472 1.00 0.00 H new ATOM 532 N GLU A 35 -10.065 3.787 3.356 1.00 0.00 N ATOM 533 CA GLU A 35 -9.396 3.901 4.678 1.00 0.00 C ATOM 534 C GLU A 35 -7.924 3.530 4.592 1.00 0.00 C ATOM 535 O GLU A 35 -7.096 4.227 5.157 1.00 0.00 O ATOM 536 CB GLU A 35 -10.010 3.012 5.771 1.00 0.00 C ATOM 537 CG GLU A 35 -11.429 3.411 6.150 1.00 0.00 C ATOM 538 CD GLU A 35 -11.427 4.324 7.369 1.00 0.00 C ATOM 539 OE1 GLU A 35 -11.487 3.797 8.506 1.00 0.00 O ATOM 540 OE2 GLU A 35 -11.385 5.564 7.195 1.00 0.00 O ATOM 0 H GLU A 35 -10.670 2.969 3.285 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.534 4.947 4.951 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.011 1.977 5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.380 3.054 6.659 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.905 3.918 5.311 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.019 2.519 6.359 1.00 0.00 H new ATOM 547 N LEU A 36 -7.603 2.506 3.801 1.00 0.00 N ATOM 548 CA LEU A 36 -6.252 2.156 3.373 1.00 0.00 C ATOM 549 C LEU A 36 -5.652 3.313 2.557 1.00 0.00 C ATOM 550 O LEU A 36 -4.492 3.650 2.734 1.00 0.00 O ATOM 551 CB LEU A 36 -6.153 0.840 2.572 1.00 0.00 C ATOM 552 CG LEU A 36 -6.742 -0.399 3.223 1.00 0.00 C ATOM 553 CD1 LEU A 36 -6.719 -1.588 2.269 1.00 0.00 C ATOM 554 CD2 LEU A 36 -5.909 -0.757 4.418 1.00 0.00 C ATOM 0 H LEU A 36 -8.309 1.872 3.426 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.683 1.987 4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.647 0.988 1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.101 0.647 2.363 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.773 -0.181 3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.147 -2.460 2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.303 -1.352 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.690 -1.803 1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.321 -1.646 4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.885 -0.957 4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.914 0.071 5.127 1.00 0.00 H new ATOM 566 N GLU A 37 -6.453 3.978 1.720 1.00 0.00 N ATOM 567 CA GLU A 37 -6.055 5.109 0.904 1.00 0.00 C ATOM 568 C GLU A 37 -5.697 6.305 1.736 1.00 0.00 C ATOM 569 O GLU A 37 -4.673 6.951 1.524 1.00 0.00 O ATOM 570 CB GLU A 37 -7.142 5.554 -0.068 1.00 0.00 C ATOM 571 CG GLU A 37 -6.585 6.264 -1.295 1.00 0.00 C ATOM 572 CD GLU A 37 -6.410 7.768 -1.135 1.00 0.00 C ATOM 573 OE1 GLU A 37 -7.222 8.425 -0.442 1.00 0.00 O ATOM 574 OE2 GLU A 37 -5.471 8.308 -1.762 1.00 0.00 O ATOM 0 H GLU A 37 -7.433 3.727 1.593 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.188 4.751 0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.716 4.684 -0.387 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.834 6.220 0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.620 5.824 -1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.249 6.077 -2.139 1.00 0.00 H new ATOM 581 N ALA A 38 -6.525 6.559 2.741 1.00 0.00 N ATOM 582 CA ALA A 38 -6.188 7.547 3.728 1.00 0.00 C ATOM 583 C ALA A 38 -4.944 7.105 4.515 1.00 0.00 C ATOM 584 O ALA A 38 -3.984 7.858 4.577 1.00 0.00 O ATOM 585 CB ALA A 38 -7.388 7.814 4.637 1.00 0.00 C ATOM 0 H ALA A 38 -7.422 6.095 2.884 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.941 8.487 3.235 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.121 8.564 5.381 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.224 8.177 4.039 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.676 6.891 5.140 1.00 0.00 H new ATOM 591 N TYR A 39 -4.867 5.865 5.002 1.00 0.00 N ATOM 592 CA TYR A 39 -3.763 5.402 5.852 1.00 0.00 C ATOM 593 C TYR A 39 -2.409 5.446 5.100 1.00 0.00 C ATOM 594 O TYR A 39 -1.369 5.779 5.671 1.00 0.00 O ATOM 595 CB TYR A 39 -4.040 3.977 6.388 1.00 0.00 C ATOM 596 CG TYR A 39 -2.857 3.028 6.315 1.00 0.00 C ATOM 597 CD1 TYR A 39 -1.859 3.039 7.306 1.00 0.00 C ATOM 598 CD2 TYR A 39 -2.673 2.264 5.152 1.00 0.00 C ATOM 599 CE1 TYR A 39 -0.664 2.322 7.103 1.00 0.00 C ATOM 600 CE2 TYR A 39 -1.469 1.586 4.932 1.00 0.00 C ATOM 601 CZ TYR A 39 -0.454 1.621 5.905 1.00 0.00 C ATOM 602 OH TYR A 39 0.716 0.965 5.696 1.00 0.00 O ATOM 0 H TYR A 39 -5.570 5.149 4.819 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.696 6.084 6.700 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.365 4.051 7.426 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -4.868 3.547 5.825 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.009 3.595 8.219 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.466 2.199 4.422 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.094 2.311 7.872 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.319 1.036 4.015 1.00 0.00 H new ATOM 0 HH TYR A 39 0.988 1.071 4.761 1.00 0.00 H new ATOM 612 N TYR A 40 -2.438 5.202 3.793 1.00 0.00 N ATOM 613 CA TYR A 40 -1.338 5.387 2.855 1.00 0.00 C ATOM 614 C TYR A 40 -0.894 6.850 2.853 1.00 0.00 C ATOM 615 O TYR A 40 0.236 7.163 3.235 1.00 0.00 O ATOM 616 CB TYR A 40 -1.915 4.957 1.497 1.00 0.00 C ATOM 617 CG TYR A 40 -1.171 5.229 0.213 1.00 0.00 C ATOM 618 CD1 TYR A 40 0.192 5.573 0.155 1.00 0.00 C ATOM 619 CD2 TYR A 40 -1.928 5.155 -0.968 1.00 0.00 C ATOM 620 CE1 TYR A 40 0.766 5.904 -1.088 1.00 0.00 C ATOM 621 CE2 TYR A 40 -1.339 5.439 -2.204 1.00 0.00 C ATOM 622 CZ TYR A 40 -0.003 5.856 -2.266 1.00 0.00 C ATOM 623 OH TYR A 40 0.514 6.241 -3.456 1.00 0.00 O ATOM 0 H TYR A 40 -3.279 4.850 3.335 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.451 4.806 3.110 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.081 3.881 1.547 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.894 5.426 1.404 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.791 5.583 1.053 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.971 4.877 -0.921 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.804 6.197 -1.138 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.915 5.337 -3.112 1.00 0.00 H new ATOM 0 HH TYR A 40 1.080 7.030 -3.327 1.00 0.00 H new ATOM 633 N LYS A 41 -1.820 7.774 2.584 1.00 0.00 N ATOM 634 CA LYS A 41 -1.526 9.214 2.583 1.00 0.00 C ATOM 635 C LYS A 41 -1.027 9.746 3.953 1.00 0.00 C ATOM 636 O LYS A 41 -0.121 10.582 4.033 1.00 0.00 O ATOM 637 CB LYS A 41 -2.761 9.981 2.137 1.00 0.00 C ATOM 638 CG LYS A 41 -3.221 9.533 0.738 1.00 0.00 C ATOM 639 CD LYS A 41 -2.885 10.521 -0.374 1.00 0.00 C ATOM 640 CE LYS A 41 -1.416 10.374 -0.732 1.00 0.00 C ATOM 641 NZ LYS A 41 -0.850 11.595 -1.355 1.00 0.00 N ATOM 0 H LYS A 41 -2.790 7.550 2.362 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.706 9.371 1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.567 9.826 2.854 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.545 11.049 2.127 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.761 8.572 0.507 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.299 9.375 0.755 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.507 10.331 -1.248 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.094 11.540 -0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.850 10.135 0.168 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.296 9.534 -1.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.154 11.438 -1.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.369 11.811 -2.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.937 12.394 -0.695 1.00 0.00 H new ATOM 655 N LYS A 42 -1.596 9.220 5.036 1.00 0.00 N ATOM 656 CA LYS A 42 -1.318 9.485 6.429 1.00 0.00 C ATOM 657 C LYS A 42 0.083 8.994 6.844 1.00 0.00 C ATOM 658 O LYS A 42 0.765 9.669 7.603 1.00 0.00 O ATOM 659 CB LYS A 42 -2.420 8.730 7.182 1.00 0.00 C ATOM 660 CG LYS A 42 -3.826 9.338 7.092 1.00 0.00 C ATOM 661 CD LYS A 42 -4.105 10.515 8.013 1.00 0.00 C ATOM 662 CE LYS A 42 -5.523 10.976 7.653 1.00 0.00 C ATOM 663 NZ LYS A 42 -5.837 12.321 8.189 1.00 0.00 N ATOM 0 H LYS A 42 -2.338 8.527 4.939 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.316 10.553 6.648 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.461 7.710 6.801 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.138 8.667 8.233 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.996 9.659 6.064 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.553 8.555 7.306 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.040 10.220 9.060 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.380 11.315 7.862 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.634 10.986 6.569 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.244 10.257 8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.806 12.585 7.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.759 12.308 9.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.167 13.015 7.800 1.00 0.00 H new ATOM 677 N ARG A 43 0.519 7.813 6.410 1.00 0.00 N ATOM 678 CA ARG A 43 1.886 7.333 6.611 1.00 0.00 C ATOM 679 C ARG A 43 2.988 8.042 5.807 1.00 0.00 C ATOM 680 O ARG A 43 4.048 8.360 6.333 1.00 0.00 O ATOM 681 CB ARG A 43 1.944 5.826 6.405 1.00 0.00 C ATOM 682 CG ARG A 43 3.062 5.229 7.262 1.00 0.00 C ATOM 683 CD ARG A 43 3.419 3.805 6.820 1.00 0.00 C ATOM 684 NE ARG A 43 4.468 3.234 7.682 1.00 0.00 N ATOM 685 CZ ARG A 43 4.382 2.194 8.499 1.00 0.00 C ATOM 686 NH1 ARG A 43 3.298 1.473 8.619 1.00 0.00 N ATOM 687 NH2 ARG A 43 5.410 1.861 9.235 1.00 0.00 N ATOM 0 H ARG A 43 -0.073 7.155 5.903 1.00 0.00 H new ATOM 0 HA ARG A 43 2.119 7.593 7.643 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.988 5.376 6.673 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.119 5.600 5.353 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.947 5.862 7.198 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.753 5.219 8.307 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.530 3.175 6.856 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.760 3.816 5.785 1.00 0.00 H new ATOM 0 HE ARG A 43 5.376 3.698 7.646 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.470 1.702 8.070 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.281 0.681 9.262 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.274 2.401 9.179 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.348 1.061 9.865 1.00 0.00 H new ATOM 701 N VAL A 44 2.771 8.285 4.513 1.00 0.00 N ATOM 702 CA VAL A 44 3.738 8.793 3.535 1.00 0.00 C ATOM 703 C VAL A 44 4.514 10.016 4.018 1.00 0.00 C ATOM 704 O VAL A 44 5.732 10.104 3.884 1.00 0.00 O ATOM 705 CB VAL A 44 2.894 9.127 2.291 1.00 0.00 C ATOM 706 CG1 VAL A 44 3.494 10.126 1.326 1.00 0.00 C ATOM 707 CG2 VAL A 44 2.629 7.853 1.513 1.00 0.00 C ATOM 0 H VAL A 44 1.856 8.122 4.092 1.00 0.00 H new ATOM 0 HA VAL A 44 4.512 8.050 3.341 1.00 0.00 H new ATOM 0 HB VAL A 44 1.993 9.591 2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.811 10.281 0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.661 11.073 1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.444 9.745 0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.032 8.083 0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.577 7.411 1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.088 7.147 2.144 1.00 0.00 H new ATOM 802 N LYS A 50 9.229 6.373 -0.462 1.00 0.00 N ATOM 803 CA LYS A 50 9.880 6.435 -1.771 1.00 0.00 C ATOM 804 C LYS A 50 8.879 6.349 -2.940 1.00 0.00 C ATOM 805 O LYS A 50 7.745 5.895 -2.788 1.00 0.00 O ATOM 806 CB LYS A 50 10.971 5.349 -1.844 1.00 0.00 C ATOM 807 CG LYS A 50 10.559 3.977 -2.422 1.00 0.00 C ATOM 808 CD LYS A 50 10.548 2.875 -1.378 1.00 0.00 C ATOM 809 CE LYS A 50 9.548 3.214 -0.279 1.00 0.00 C ATOM 810 NZ LYS A 50 9.326 2.088 0.660 1.00 0.00 N ATOM 0 HA LYS A 50 10.350 7.412 -1.879 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.794 5.736 -2.445 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.358 5.190 -0.838 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.567 4.059 -2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.246 3.705 -3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.284 1.925 -1.842 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.544 2.756 -0.952 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.906 4.080 0.277 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.598 3.496 -0.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.677 2.389 1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.911 1.284 0.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.234 1.800 1.078 1.00 0.00 H new ATOM 824 N ASP A 51 9.353 6.645 -4.144 1.00 0.00 N ATOM 825 CA ASP A 51 8.540 6.629 -5.375 1.00 0.00 C ATOM 826 C ASP A 51 7.974 5.250 -5.713 1.00 0.00 C ATOM 827 O ASP A 51 6.841 5.136 -6.144 1.00 0.00 O ATOM 828 CB ASP A 51 9.356 7.153 -6.566 1.00 0.00 C ATOM 829 CG ASP A 51 10.665 6.387 -6.852 1.00 0.00 C ATOM 830 OD1 ASP A 51 11.643 6.550 -6.083 1.00 0.00 O ATOM 831 OD2 ASP A 51 10.713 5.633 -7.854 1.00 0.00 O ATOM 0 H ASP A 51 10.325 6.908 -4.305 1.00 0.00 H new ATOM 0 HA ASP A 51 7.691 7.285 -5.182 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.731 7.118 -7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.598 8.201 -6.387 1.00 0.00 H new ATOM 836 N THR A 52 8.735 4.198 -5.454 1.00 0.00 N ATOM 837 CA THR A 52 8.478 2.820 -5.893 1.00 0.00 C ATOM 838 C THR A 52 7.196 2.240 -5.322 1.00 0.00 C ATOM 839 O THR A 52 6.423 1.583 -6.022 1.00 0.00 O ATOM 840 CB THR A 52 9.605 1.962 -5.303 1.00 0.00 C ATOM 841 OG1 THR A 52 10.880 2.347 -5.764 1.00 0.00 O ATOM 842 CG2 THR A 52 9.431 0.463 -5.455 1.00 0.00 C ATOM 0 H THR A 52 9.592 4.277 -4.906 1.00 0.00 H new ATOM 0 HA THR A 52 8.411 2.823 -6.981 1.00 0.00 H new ATOM 0 HB THR A 52 9.532 2.167 -4.235 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.562 1.772 -5.358 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.281 -0.049 -5.005 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.514 0.151 -4.956 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.373 0.209 -6.513 1.00 0.00 H new ATOM 850 N ASP A 53 6.994 2.464 -4.021 1.00 0.00 N ATOM 851 CA ASP A 53 5.799 2.019 -3.327 1.00 0.00 C ATOM 852 C ASP A 53 4.593 2.682 -3.946 1.00 0.00 C ATOM 853 O ASP A 53 3.646 2.017 -4.360 1.00 0.00 O ATOM 854 CB ASP A 53 5.956 2.433 -1.858 1.00 0.00 C ATOM 855 CG ASP A 53 5.064 1.720 -0.818 1.00 0.00 C ATOM 856 OD1 ASP A 53 3.940 1.302 -1.166 1.00 0.00 O ATOM 857 OD2 ASP A 53 5.511 1.608 0.349 1.00 0.00 O ATOM 0 H ASP A 53 7.658 2.959 -3.426 1.00 0.00 H new ATOM 0 HA ASP A 53 5.665 0.940 -3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.996 2.276 -1.573 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.765 3.504 -1.788 1.00 0.00 H new ATOM 862 N ASP A 54 4.723 3.996 -4.134 1.00 0.00 N ATOM 863 CA ASP A 54 3.604 4.889 -4.368 1.00 0.00 C ATOM 864 C ASP A 54 2.867 4.490 -5.616 1.00 0.00 C ATOM 865 O ASP A 54 1.662 4.323 -5.601 1.00 0.00 O ATOM 866 CB ASP A 54 4.207 6.299 -4.637 1.00 0.00 C ATOM 867 CG ASP A 54 3.182 7.449 -4.575 1.00 0.00 C ATOM 868 OD1 ASP A 54 2.682 7.755 -3.464 1.00 0.00 O ATOM 869 OD2 ASP A 54 2.869 8.037 -5.638 1.00 0.00 O ATOM 0 H ASP A 54 5.626 4.470 -4.127 1.00 0.00 H new ATOM 0 HA ASP A 54 2.926 4.864 -3.515 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.994 6.490 -3.908 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.677 6.299 -5.621 1.00 0.00 H new ATOM 874 N ILE A 55 3.606 4.237 -6.670 1.00 0.00 N ATOM 875 CA ILE A 55 3.062 3.697 -7.920 1.00 0.00 C ATOM 876 C ILE A 55 2.552 2.273 -7.907 1.00 0.00 C ATOM 877 O ILE A 55 1.454 2.010 -8.391 1.00 0.00 O ATOM 878 CB ILE A 55 4.167 3.662 -9.013 1.00 0.00 C ATOM 879 CG1 ILE A 55 5.557 3.956 -8.442 1.00 0.00 C ATOM 880 CG2 ILE A 55 3.653 4.494 -10.189 1.00 0.00 C ATOM 881 CD1 ILE A 55 6.673 3.388 -9.297 1.00 0.00 C ATOM 0 H ILE A 55 4.613 4.397 -6.697 1.00 0.00 H new ATOM 0 HA ILE A 55 2.222 4.369 -8.098 1.00 0.00 H new ATOM 0 HB ILE A 55 4.350 2.666 -9.416 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.687 5.034 -8.351 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.628 3.541 -7.437 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.398 4.499 -10.985 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.725 4.061 -10.563 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.469 5.516 -9.858 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.635 3.627 -8.844 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.563 2.306 -9.367 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.624 3.823 -10.295 1.00 0.00 H new ATOM 893 N SER A 56 3.345 1.370 -7.333 1.00 0.00 N ATOM 894 CA SER A 56 3.016 -0.048 -7.440 1.00 0.00 C ATOM 895 C SER A 56 1.706 -0.345 -6.721 1.00 0.00 C ATOM 896 O SER A 56 0.775 -0.954 -7.248 1.00 0.00 O ATOM 897 CB SER A 56 4.204 -0.878 -6.947 1.00 0.00 C ATOM 898 OG SER A 56 4.906 -1.458 -8.034 1.00 0.00 O ATOM 0 H SER A 56 4.192 1.585 -6.806 1.00 0.00 H new ATOM 0 HA SER A 56 2.846 -0.329 -8.479 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.879 -0.246 -6.370 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.851 -1.662 -6.278 1.00 0.00 H new ATOM 0 HG SER A 56 5.661 -1.982 -7.694 1.00 0.00 H new ATOM 904 N VAL A 57 1.685 0.156 -5.489 1.00 0.00 N ATOM 905 CA VAL A 57 0.558 0.189 -4.585 1.00 0.00 C ATOM 906 C VAL A 57 -0.563 1.105 -5.022 1.00 0.00 C ATOM 907 O VAL A 57 -1.673 0.630 -5.105 1.00 0.00 O ATOM 908 CB VAL A 57 1.049 0.475 -3.164 1.00 0.00 C ATOM 909 CG1 VAL A 57 0.953 1.909 -2.734 1.00 0.00 C ATOM 910 CG2 VAL A 57 0.305 -0.363 -2.142 1.00 0.00 C ATOM 0 H VAL A 57 2.517 0.577 -5.075 1.00 0.00 H new ATOM 0 HA VAL A 57 0.097 -0.799 -4.603 1.00 0.00 H new ATOM 0 HB VAL A 57 2.106 0.213 -3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.325 2.009 -1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.552 2.530 -3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.087 2.232 -2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.678 -0.135 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.760 -0.137 -2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.461 -1.420 -2.355 1.00 0.00 H new ATOM 920 N ARG A 58 -0.308 2.347 -5.460 1.00 0.00 N ATOM 921 CA ARG A 58 -1.443 3.194 -5.900 1.00 0.00 C ATOM 922 C ARG A 58 -2.159 2.608 -7.081 1.00 0.00 C ATOM 923 O ARG A 58 -3.376 2.643 -7.145 1.00 0.00 O ATOM 924 CB ARG A 58 -1.065 4.584 -6.402 1.00 0.00 C ATOM 925 CG ARG A 58 -2.245 5.502 -6.786 1.00 0.00 C ATOM 926 CD ARG A 58 -3.209 5.824 -5.638 1.00 0.00 C ATOM 927 NE ARG A 58 -4.297 6.722 -6.064 1.00 0.00 N ATOM 928 CZ ARG A 58 -4.254 8.044 -6.190 1.00 0.00 C ATOM 929 NH1 ARG A 58 -3.182 8.743 -5.934 1.00 0.00 N ATOM 930 NH2 ARG A 58 -5.304 8.697 -6.597 1.00 0.00 N ATOM 0 H ARG A 58 0.616 2.775 -5.521 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.039 3.250 -4.989 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.478 5.082 -5.630 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.418 4.472 -7.272 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.846 6.437 -7.180 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.807 5.030 -7.592 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.634 4.898 -5.252 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.657 6.287 -4.820 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.187 6.277 -6.288 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.331 8.275 -5.623 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.196 9.757 -6.045 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.163 8.194 -6.820 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.268 9.712 -6.693 1.00 0.00 H new ATOM 944 N ASP A 59 -1.413 2.102 -8.047 1.00 0.00 N ATOM 945 CA ASP A 59 -2.035 1.711 -9.303 1.00 0.00 C ATOM 946 C ASP A 59 -2.927 0.489 -9.118 1.00 0.00 C ATOM 947 O ASP A 59 -3.844 0.233 -9.886 1.00 0.00 O ATOM 948 CB ASP A 59 -0.932 1.415 -10.332 1.00 0.00 C ATOM 949 CG ASP A 59 -1.470 1.078 -11.739 1.00 0.00 C ATOM 950 OD1 ASP A 59 -2.000 1.984 -12.427 1.00 0.00 O ATOM 951 OD2 ASP A 59 -1.342 -0.097 -12.159 1.00 0.00 O ATOM 0 H ASP A 59 -0.405 1.954 -7.993 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.665 2.527 -9.657 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.272 2.279 -10.403 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.328 0.581 -9.974 1.00 0.00 H new ATOM 956 N ALA A 60 -2.546 -0.311 -8.126 1.00 0.00 N ATOM 957 CA ALA A 60 -3.272 -1.395 -7.488 1.00 0.00 C ATOM 958 C ALA A 60 -4.445 -1.000 -6.595 1.00 0.00 C ATOM 959 O ALA A 60 -5.495 -1.621 -6.616 1.00 0.00 O ATOM 960 CB ALA A 60 -2.251 -2.200 -6.704 1.00 0.00 C ATOM 0 H ALA A 60 -1.622 -0.200 -7.708 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.756 -1.964 -8.282 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.749 -3.030 -6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.493 -2.588 -7.385 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.777 -1.560 -5.960 1.00 0.00 H new ATOM 966 N LEU A 61 -4.258 0.012 -5.754 1.00 0.00 N ATOM 967 CA LEU A 61 -5.203 0.568 -4.812 1.00 0.00 C ATOM 968 C LEU A 61 -6.303 1.300 -5.559 1.00 0.00 C ATOM 969 O LEU A 61 -7.455 0.907 -5.480 1.00 0.00 O ATOM 970 CB LEU A 61 -4.327 1.528 -3.999 1.00 0.00 C ATOM 971 CG LEU A 61 -4.974 2.120 -2.774 1.00 0.00 C ATOM 972 CD1 LEU A 61 -3.948 2.155 -1.650 1.00 0.00 C ATOM 973 CD2 LEU A 61 -5.620 3.477 -3.008 1.00 0.00 C ATOM 0 H LEU A 61 -3.363 0.500 -5.717 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.712 -0.168 -4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.426 0.997 -3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.010 2.343 -4.650 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.809 1.478 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.402 2.582 -0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.608 1.142 -1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.098 2.767 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.063 3.834 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.864 4.186 -3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.396 3.384 -3.768 1.00 0.00 H new ATOM 985 N ALA A 62 -5.910 2.199 -6.459 1.00 0.00 N ATOM 986 CA ALA A 62 -6.772 2.702 -7.518 1.00 0.00 C ATOM 987 C ALA A 62 -7.276 1.607 -8.472 1.00 0.00 C ATOM 988 O ALA A 62 -8.373 1.690 -9.027 1.00 0.00 O ATOM 989 CB ALA A 62 -6.106 3.863 -8.258 1.00 0.00 C ATOM 0 H ALA A 62 -4.973 2.601 -6.471 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.670 3.086 -7.035 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.770 4.222 -9.045 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.903 4.673 -7.557 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.170 3.523 -8.700 1.00 0.00 H new ATOM 995 N GLY A 63 -6.452 0.573 -8.644 1.00 0.00 N ATOM 996 CA GLY A 63 -6.690 -0.646 -9.382 1.00 0.00 C ATOM 997 C GLY A 63 -7.967 -1.307 -8.903 1.00 0.00 C ATOM 998 O GLY A 63 -8.903 -1.523 -9.668 1.00 0.00 O ATOM 0 H GLY A 63 -5.520 0.578 -8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.763 -0.426 -10.447 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.849 -1.327 -9.254 1.00 0.00 H new ATOM 1002 N LYS A 64 -7.978 -1.562 -7.592 1.00 0.00 N ATOM 1003 CA LYS A 64 -9.072 -2.103 -6.814 1.00 0.00 C ATOM 1004 C LYS A 64 -10.234 -1.132 -6.656 1.00 0.00 C ATOM 1005 O LYS A 64 -11.377 -1.535 -6.616 1.00 0.00 O ATOM 1006 CB LYS A 64 -8.540 -2.733 -5.518 1.00 0.00 C ATOM 1007 CG LYS A 64 -9.526 -3.782 -4.978 1.00 0.00 C ATOM 1008 CD LYS A 64 -9.005 -5.219 -5.059 1.00 0.00 C ATOM 1009 CE LYS A 64 -10.114 -6.202 -4.639 1.00 0.00 C ATOM 1010 NZ LYS A 64 -9.691 -7.608 -4.776 1.00 0.00 N ATOM 0 H LYS A 64 -7.158 -1.379 -7.014 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.532 -2.919 -7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.572 -3.199 -5.705 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.381 -1.957 -4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.758 -3.548 -3.939 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.459 -3.712 -5.537 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.677 -5.440 -6.075 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.137 -5.338 -4.411 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.397 -6.008 -3.604 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.001 -6.030 -5.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.521 -8.229 -4.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.241 -7.746 -5.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.012 -7.841 -4.023 1.00 0.00 H new ATOM 1024 N ARG A 65 -9.971 0.164 -6.555 1.00 0.00 N ATOM 1025 CA ARG A 65 -10.967 1.169 -6.242 1.00 0.00 C ATOM 1026 C ARG A 65 -12.105 1.094 -7.239 1.00 0.00 C ATOM 1027 O ARG A 65 -13.228 0.850 -6.838 1.00 0.00 O ATOM 1028 CB ARG A 65 -10.300 2.536 -6.194 1.00 0.00 C ATOM 1029 CG ARG A 65 -10.967 3.562 -5.272 1.00 0.00 C ATOM 1030 CD ARG A 65 -9.798 4.339 -4.655 1.00 0.00 C ATOM 1031 NE ARG A 65 -10.222 5.601 -4.049 1.00 0.00 N ATOM 1032 CZ ARG A 65 -10.463 6.758 -4.643 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -10.337 6.947 -5.930 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -10.857 7.753 -3.903 1.00 0.00 N ATOM 0 H ARG A 65 -9.037 0.550 -6.692 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.403 0.988 -5.260 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.266 2.406 -5.876 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.274 2.944 -7.204 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.633 4.222 -5.828 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.569 3.075 -4.505 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.314 3.721 -3.899 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.054 4.541 -5.425 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.348 5.587 -3.037 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.039 6.179 -6.531 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.537 7.862 -6.333 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.971 7.627 -2.897 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.052 8.659 -4.329 1.00 0.00 H new ATOM 1048 N ALA A 66 -11.786 1.050 -8.527 1.00 0.00 N ATOM 1049 CA ALA A 66 -12.797 0.914 -9.576 1.00 0.00 C ATOM 1050 C ALA A 66 -13.633 -0.363 -9.439 1.00 0.00 C ATOM 1051 O ALA A 66 -14.824 -0.372 -9.734 1.00 0.00 O ATOM 1052 CB ALA A 66 -12.152 0.903 -10.948 1.00 0.00 C ATOM 0 H ALA A 66 -10.829 1.107 -8.875 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.455 1.776 -9.462 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.923 0.801 -11.712 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.609 1.836 -11.102 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.459 0.064 -11.018 1.00 0.00 H new ATOM 1058 N GLU A 67 -12.992 -1.453 -8.999 1.00 0.00 N ATOM 1059 CA GLU A 67 -13.624 -2.757 -8.818 1.00 0.00 C ATOM 1060 C GLU A 67 -14.629 -2.689 -7.699 1.00 0.00 C ATOM 1061 O GLU A 67 -15.716 -3.244 -7.747 1.00 0.00 O ATOM 1062 CB GLU A 67 -12.576 -3.769 -8.368 1.00 0.00 C ATOM 1063 CG GLU A 67 -11.321 -3.773 -9.211 1.00 0.00 C ATOM 1064 CD GLU A 67 -11.524 -4.407 -10.578 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -11.540 -5.660 -10.652 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -11.646 -3.670 -11.582 1.00 0.00 O ATOM 0 H GLU A 67 -12.001 -1.449 -8.756 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.091 -3.040 -9.761 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.305 -3.560 -7.333 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.017 -4.766 -8.387 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.974 -2.748 -9.340 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.535 -4.311 -8.680 1.00 0.00 H new ATOM 1073 N LEU A 68 -14.140 -2.100 -6.620 1.00 0.00 N ATOM 1074 CA LEU A 68 -14.812 -1.911 -5.365 1.00 0.00 C ATOM 1075 C LEU A 68 -15.988 -0.948 -5.401 1.00 0.00 C ATOM 1076 O LEU A 68 -16.943 -1.064 -4.651 1.00 0.00 O ATOM 1077 CB LEU A 68 -13.758 -1.672 -4.342 1.00 0.00 C ATOM 1078 CG LEU A 68 -13.269 -3.015 -3.837 1.00 0.00 C ATOM 1079 CD1 LEU A 68 -12.173 -2.681 -2.929 1.00 0.00 C ATOM 1080 CD2 LEU A 68 -14.256 -3.703 -2.896 1.00 0.00 C ATOM 0 H LEU A 68 -13.195 -1.718 -6.608 1.00 0.00 H new ATOM 0 HA LEU A 68 -15.359 -2.810 -5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.933 -1.105 -4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -14.156 -1.079 -3.519 1.00 0.00 H new ATOM 0 HG LEU A 68 -13.060 -3.648 -4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.754 -3.597 -2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.398 -2.144 -3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.548 -2.053 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.844 -4.659 -2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.431 -3.070 -2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -15.198 -3.872 -3.417 1.00 0.00 H new ATOM 1092 N GLU A 69 -15.858 0.046 -6.266 1.00 0.00 N ATOM 1093 CA GLU A 69 -16.797 1.067 -6.655 1.00 0.00 C ATOM 1094 C GLU A 69 -17.878 0.515 -7.581 1.00 0.00 C ATOM 1095 O GLU A 69 -19.038 0.923 -7.538 1.00 0.00 O ATOM 1096 CB GLU A 69 -15.938 2.082 -7.395 1.00 0.00 C ATOM 1097 CG GLU A 69 -15.500 3.319 -6.613 1.00 0.00 C ATOM 1098 CD GLU A 69 -14.999 4.385 -7.572 1.00 0.00 C ATOM 1099 OE1 GLU A 69 -15.844 5.157 -8.083 1.00 0.00 O ATOM 1100 OE2 GLU A 69 -13.769 4.460 -7.800 1.00 0.00 O ATOM 0 H GLU A 69 -14.979 0.162 -6.770 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.326 1.487 -5.799 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.043 1.572 -7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -16.488 2.415 -8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.335 3.706 -6.029 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.713 3.054 -5.907 1.00 0.00 H new ATOM 1107 N ASP A 70 -17.480 -0.476 -8.380 1.00 0.00 N ATOM 1108 CA ASP A 70 -18.368 -1.461 -9.024 1.00 0.00 C ATOM 1109 C ASP A 70 -18.917 -2.488 -8.013 1.00 0.00 C ATOM 1110 O ASP A 70 -19.896 -3.181 -8.309 1.00 0.00 O ATOM 1111 CB ASP A 70 -17.636 -2.164 -10.201 1.00 0.00 C ATOM 1112 CG ASP A 70 -17.807 -1.468 -11.575 1.00 0.00 C ATOM 1113 OD1 ASP A 70 -18.953 -1.097 -11.941 1.00 0.00 O ATOM 1114 OD2 ASP A 70 -16.814 -1.366 -12.341 1.00 0.00 O ATOM 0 H ASP A 70 -16.497 -0.625 -8.608 1.00 0.00 H new ATOM 0 HA ASP A 70 -19.227 -0.922 -9.425 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.573 -2.222 -9.968 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -18.001 -3.188 -10.279 1.00 0.00 H new ATOM 1119 N SER A 71 -18.335 -2.530 -6.807 1.00 0.00 N ATOM 1120 CA SER A 71 -18.775 -3.397 -5.690 1.00 0.00 C ATOM 1121 C SER A 71 -19.284 -2.614 -4.449 1.00 0.00 C ATOM 1122 O SER A 71 -19.058 -3.012 -3.300 1.00 0.00 O ATOM 1123 CB SER A 71 -17.643 -4.366 -5.314 1.00 0.00 C ATOM 1124 OG SER A 71 -18.128 -5.467 -4.565 1.00 0.00 O ATOM 0 H SER A 71 -17.528 -1.953 -6.569 1.00 0.00 H new ATOM 0 HA SER A 71 -19.639 -3.959 -6.044 1.00 0.00 H new ATOM 0 HB2 SER A 71 -17.156 -4.727 -6.220 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.886 -3.836 -4.735 1.00 0.00 H new ATOM 0 HG SER A 71 -18.628 -5.139 -3.788 1.00 0.00 H new ATOM 1130 N ASP A 72 -19.920 -1.459 -4.698 1.00 0.00 N ATOM 1131 CA ASP A 72 -20.293 -0.384 -3.739 1.00 0.00 C ATOM 1132 C ASP A 72 -21.070 -0.829 -2.480 1.00 0.00 C ATOM 1133 O ASP A 72 -21.157 -0.072 -1.514 1.00 0.00 O ATOM 1134 CB ASP A 72 -21.105 0.679 -4.507 1.00 0.00 C ATOM 1135 CG ASP A 72 -21.419 1.966 -3.708 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -20.481 2.740 -3.385 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -22.615 2.236 -3.451 1.00 0.00 O ATOM 0 H ASP A 72 -20.214 -1.225 -5.646 1.00 0.00 H new ATOM 0 HA ASP A 72 -19.354 0.003 -3.344 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.555 0.954 -5.407 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -22.045 0.232 -4.831 1.00 0.00 H new