USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 533 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 20 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.453) USER MOD Single : A 22 GLN : amide:sc= -0.0328 X(o=-0.033,f=-0.34) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.155) USER MOD Single : A 30 ASN : amide:sc= -4.23! C(o=-4.2!,f=-7.5!) USER MOD Single : A 31 SER OG : rot 87:sc= 1.14 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.697 K(o=-0.7,f=0) USER MOD Single : A 38 THR OG1 : rot 107:sc= 1.18 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 91:sc= 1.25 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 GLN : amide:sc=-0.00791 X(o=-0.0079,f=-0.13) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 ASN : amide:sc= -0.584 K(o=-0.58,f=-4.3!) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 32 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : B 37 ASN : amide:sc= -0.334 K(o=-0.33,f=-4.1!) USER MOD Single : B 38 THR OG1 : rot 86:sc= 0.842 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 THR OG1 : rot 84:sc= 0.618 USER MOD Single : B 45 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 261 N VAL A 16 -1.039 4.044 2.470 1.00 0.00 N ATOM 262 CA VAL A 16 -1.542 5.417 2.772 1.00 0.00 C ATOM 263 C VAL A 16 -0.428 6.440 2.555 1.00 0.00 C ATOM 264 O VAL A 16 0.649 6.326 3.101 1.00 0.00 O ATOM 265 CB VAL A 16 -2.019 5.483 4.225 1.00 0.00 C ATOM 266 CG1 VAL A 16 -2.663 6.847 4.487 1.00 0.00 C ATOM 267 CG2 VAL A 16 -3.049 4.379 4.470 1.00 0.00 C ATOM 0 HA VAL A 16 -2.374 5.645 2.105 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.170 5.346 4.895 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.003 6.896 5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.932 7.635 4.308 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.513 6.982 3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.391 4.423 5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.898 4.519 3.801 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.593 3.407 4.280 1.00 0.00 H new ATOM 277 N GLU A 17 -0.685 7.445 1.761 1.00 0.00 N ATOM 278 CA GLU A 17 0.352 8.483 1.509 1.00 0.00 C ATOM 279 C GLU A 17 0.619 9.254 2.801 1.00 0.00 C ATOM 280 O GLU A 17 1.716 9.706 3.048 1.00 0.00 O ATOM 281 CB GLU A 17 -0.146 9.451 0.434 1.00 0.00 C ATOM 282 CG GLU A 17 0.524 9.120 -0.901 1.00 0.00 C ATOM 283 CD GLU A 17 1.461 10.262 -1.301 1.00 0.00 C ATOM 284 OE1 GLU A 17 1.319 11.340 -0.749 1.00 0.00 O ATOM 285 OE2 GLU A 17 2.305 10.036 -2.152 1.00 0.00 O ATOM 0 H GLU A 17 -1.570 7.591 1.276 1.00 0.00 H new ATOM 0 HA GLU A 17 1.271 8.006 1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.229 9.378 0.337 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.080 10.478 0.722 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.084 8.189 -0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.232 8.969 -1.672 1.00 0.00 H new ATOM 292 N ILE A 18 -0.379 9.406 3.629 1.00 0.00 N ATOM 293 CA ILE A 18 -0.177 10.145 4.906 1.00 0.00 C ATOM 294 C ILE A 18 0.656 9.287 5.855 1.00 0.00 C ATOM 295 O ILE A 18 1.534 9.776 6.538 1.00 0.00 O ATOM 296 CB ILE A 18 -1.533 10.447 5.544 1.00 0.00 C ATOM 297 CG1 ILE A 18 -2.313 11.414 4.652 1.00 0.00 C ATOM 298 CG2 ILE A 18 -1.317 11.086 6.917 1.00 0.00 C ATOM 299 CD1 ILE A 18 -3.812 11.239 4.897 1.00 0.00 C ATOM 0 H ILE A 18 -1.323 9.051 3.476 1.00 0.00 H new ATOM 0 HA ILE A 18 0.343 11.083 4.708 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.096 9.521 5.656 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.017 12.441 4.865 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.081 11.226 3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.283 11.302 7.374 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.760 10.399 7.554 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.754 12.012 6.803 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.368 11.928 4.261 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.102 10.215 4.662 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.037 11.449 5.943 1.00 0.00 H new ATOM 311 N LEU A 19 0.396 8.007 5.901 1.00 0.00 N ATOM 312 CA LEU A 19 1.184 7.119 6.801 1.00 0.00 C ATOM 313 C LEU A 19 2.611 7.009 6.266 1.00 0.00 C ATOM 314 O LEU A 19 3.555 6.876 7.013 1.00 0.00 O ATOM 315 CB LEU A 19 0.545 5.730 6.841 1.00 0.00 C ATOM 316 CG LEU A 19 -0.861 5.828 7.433 1.00 0.00 C ATOM 317 CD1 LEU A 19 -1.480 4.431 7.520 1.00 0.00 C ATOM 318 CD2 LEU A 19 -0.781 6.438 8.834 1.00 0.00 C ATOM 0 H LEU A 19 -0.327 7.540 5.354 1.00 0.00 H new ATOM 0 HA LEU A 19 1.198 7.536 7.808 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.499 5.311 5.836 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.156 5.055 7.440 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.480 6.459 6.795 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.482 4.503 7.942 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.537 3.995 6.522 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.862 3.798 8.157 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.783 6.509 9.258 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.161 5.807 9.471 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.342 7.434 8.773 1.00 0.00 H new ATOM 330 N LYS A 20 2.770 7.079 4.973 1.00 0.00 N ATOM 331 CA LYS A 20 4.133 6.993 4.380 1.00 0.00 C ATOM 332 C LYS A 20 4.871 8.295 4.677 1.00 0.00 C ATOM 333 O LYS A 20 6.049 8.305 4.971 1.00 0.00 O ATOM 334 CB LYS A 20 4.013 6.796 2.866 1.00 0.00 C ATOM 335 CG LYS A 20 5.366 7.050 2.200 1.00 0.00 C ATOM 336 CD LYS A 20 5.253 6.756 0.702 1.00 0.00 C ATOM 337 CE LYS A 20 6.371 7.481 -0.051 1.00 0.00 C ATOM 338 NZ LYS A 20 7.674 7.212 0.618 1.00 0.00 N ATOM 0 H LYS A 20 2.012 7.192 4.300 1.00 0.00 H new ATOM 0 HA LYS A 20 4.681 6.152 4.805 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.675 5.783 2.648 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.264 7.476 2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.674 8.084 2.358 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.131 6.417 2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.320 5.682 0.526 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.281 7.080 0.330 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.405 7.143 -1.087 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.175 8.553 -0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.450 7.385 -0.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.779 7.841 1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.704 6.222 0.935 1.00 0.00 H new ATOM 352 N GLU A 21 4.174 9.396 4.621 1.00 0.00 N ATOM 353 CA GLU A 21 4.813 10.703 4.919 1.00 0.00 C ATOM 354 C GLU A 21 4.958 10.836 6.433 1.00 0.00 C ATOM 355 O GLU A 21 5.754 11.607 6.926 1.00 0.00 O ATOM 356 CB GLU A 21 3.938 11.839 4.382 1.00 0.00 C ATOM 357 CG GLU A 21 4.790 13.093 4.182 1.00 0.00 C ATOM 358 CD GLU A 21 5.360 13.102 2.764 1.00 0.00 C ATOM 359 OE1 GLU A 21 4.584 13.259 1.835 1.00 0.00 O ATOM 360 OE2 GLU A 21 6.564 12.953 2.628 1.00 0.00 O ATOM 0 H GLU A 21 3.184 9.444 4.380 1.00 0.00 H new ATOM 0 HA GLU A 21 5.792 10.758 4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.480 11.544 3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.126 12.046 5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.187 13.986 4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.600 13.115 4.911 1.00 0.00 H new ATOM 367 N GLN A 22 4.200 10.071 7.172 1.00 0.00 N ATOM 368 CA GLN A 22 4.297 10.132 8.655 1.00 0.00 C ATOM 369 C GLN A 22 5.504 9.307 9.091 1.00 0.00 C ATOM 370 O GLN A 22 6.216 9.663 10.007 1.00 0.00 O ATOM 371 CB GLN A 22 3.028 9.549 9.282 1.00 0.00 C ATOM 372 CG GLN A 22 1.953 10.633 9.369 1.00 0.00 C ATOM 373 CD GLN A 22 1.758 11.043 10.829 1.00 0.00 C ATOM 374 OE1 GLN A 22 2.708 11.122 11.583 1.00 0.00 O ATOM 375 NE2 GLN A 22 0.557 11.310 11.264 1.00 0.00 N ATOM 0 H GLN A 22 3.517 9.406 6.810 1.00 0.00 H new ATOM 0 HA GLN A 22 4.408 11.167 8.979 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.667 8.712 8.685 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.247 9.160 10.276 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.245 11.498 8.773 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.015 10.263 8.956 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.241 11.244 10.632 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.416 11.585 12.236 1.00 0.00 H new ATOM 384 N ILE A 23 5.750 8.216 8.421 1.00 0.00 N ATOM 385 CA ILE A 23 6.922 7.375 8.775 1.00 0.00 C ATOM 386 C ILE A 23 8.171 8.045 8.215 1.00 0.00 C ATOM 387 O ILE A 23 9.237 7.974 8.788 1.00 0.00 O ATOM 388 CB ILE A 23 6.760 5.979 8.169 1.00 0.00 C ATOM 389 CG1 ILE A 23 6.545 6.099 6.659 1.00 0.00 C ATOM 390 CG2 ILE A 23 5.550 5.290 8.803 1.00 0.00 C ATOM 391 CD1 ILE A 23 6.519 4.703 6.037 1.00 0.00 C ATOM 0 H ILE A 23 5.188 7.872 7.643 1.00 0.00 H new ATOM 0 HA ILE A 23 7.003 7.274 9.857 1.00 0.00 H new ATOM 0 HB ILE A 23 7.658 5.391 8.361 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.609 6.618 6.454 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.343 6.693 6.213 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.431 4.295 8.374 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.702 5.205 9.879 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.653 5.878 8.609 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.366 4.787 4.961 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.467 4.201 6.231 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.706 4.125 6.475 1.00 0.00 H new ATOM 403 N ARG A 24 8.035 8.721 7.108 1.00 0.00 N ATOM 404 CA ARG A 24 9.201 9.430 6.520 1.00 0.00 C ATOM 405 C ARG A 24 9.509 10.638 7.401 1.00 0.00 C ATOM 406 O ARG A 24 10.650 10.962 7.664 1.00 0.00 O ATOM 407 CB ARG A 24 8.852 9.903 5.108 1.00 0.00 C ATOM 408 CG ARG A 24 9.538 9.001 4.080 1.00 0.00 C ATOM 409 CD ARG A 24 9.799 9.798 2.800 1.00 0.00 C ATOM 410 NE ARG A 24 11.152 9.466 2.272 1.00 0.00 N ATOM 411 CZ ARG A 24 11.683 10.201 1.334 1.00 0.00 C ATOM 412 NH1 ARG A 24 11.731 11.499 1.470 1.00 0.00 N ATOM 413 NH2 ARG A 24 12.166 9.639 0.260 1.00 0.00 N ATOM 0 H ARG A 24 7.164 8.812 6.586 1.00 0.00 H new ATOM 0 HA ARG A 24 10.064 8.767 6.467 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.772 9.881 4.963 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.171 10.936 4.970 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.477 8.620 4.483 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.911 8.137 3.862 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.039 9.566 2.054 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.729 10.866 3.004 1.00 0.00 H new ATOM 0 HE ARG A 24 11.663 8.665 2.643 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.353 11.938 2.310 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.146 12.074 0.737 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.128 8.625 0.154 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.581 10.213 -0.473 1.00 0.00 H new ATOM 427 N GLU A 25 8.485 11.296 7.871 1.00 0.00 N ATOM 428 CA GLU A 25 8.686 12.477 8.750 1.00 0.00 C ATOM 429 C GLU A 25 9.050 11.992 10.149 1.00 0.00 C ATOM 430 O GLU A 25 9.661 12.698 10.920 1.00 0.00 O ATOM 431 CB GLU A 25 7.398 13.298 8.815 1.00 0.00 C ATOM 432 CG GLU A 25 7.698 14.664 9.436 1.00 0.00 C ATOM 433 CD GLU A 25 8.147 15.633 8.341 1.00 0.00 C ATOM 434 OE1 GLU A 25 7.750 15.438 7.204 1.00 0.00 O ATOM 435 OE2 GLU A 25 8.881 16.554 8.659 1.00 0.00 O ATOM 0 H GLU A 25 7.511 11.062 7.681 1.00 0.00 H new ATOM 0 HA GLU A 25 9.486 13.100 8.351 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.983 13.424 7.815 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.649 12.773 9.408 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.811 15.051 9.937 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.476 14.568 10.194 1.00 0.00 H new ATOM 442 N LEU A 26 8.691 10.781 10.477 1.00 0.00 N ATOM 443 CA LEU A 26 9.035 10.245 11.820 1.00 0.00 C ATOM 444 C LEU A 26 10.503 9.829 11.797 1.00 0.00 C ATOM 445 O LEU A 26 11.213 9.946 12.775 1.00 0.00 O ATOM 446 CB LEU A 26 8.158 9.032 12.133 1.00 0.00 C ATOM 447 CG LEU A 26 6.989 9.462 13.022 1.00 0.00 C ATOM 448 CD1 LEU A 26 5.944 8.346 13.068 1.00 0.00 C ATOM 449 CD2 LEU A 26 7.498 9.739 14.437 1.00 0.00 C ATOM 0 H LEU A 26 8.175 10.142 9.872 1.00 0.00 H new ATOM 0 HA LEU A 26 8.866 11.002 12.586 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.783 8.593 11.208 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.747 8.264 12.635 1.00 0.00 H new ATOM 0 HG LEU A 26 6.538 10.366 12.614 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.112 8.653 13.701 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.579 8.147 12.060 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.395 7.441 13.475 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.665 10.045 15.070 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.950 8.835 14.845 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.242 10.535 14.407 1.00 0.00 H new ATOM 461 N VAL A 27 10.964 9.364 10.668 1.00 0.00 N ATOM 462 CA VAL A 27 12.390 8.961 10.553 1.00 0.00 C ATOM 463 C VAL A 27 13.220 10.219 10.316 1.00 0.00 C ATOM 464 O VAL A 27 14.379 10.289 10.669 1.00 0.00 O ATOM 465 CB VAL A 27 12.562 7.994 9.381 1.00 0.00 C ATOM 466 CG1 VAL A 27 11.606 6.810 9.552 1.00 0.00 C ATOM 467 CG2 VAL A 27 12.245 8.719 8.071 1.00 0.00 C ATOM 0 H VAL A 27 10.411 9.246 9.819 1.00 0.00 H new ATOM 0 HA VAL A 27 12.717 8.461 11.465 1.00 0.00 H new ATOM 0 HB VAL A 27 13.590 7.632 9.357 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.728 6.120 8.717 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.830 6.293 10.485 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.578 7.173 9.576 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.367 8.030 7.235 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.217 9.081 8.095 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.924 9.563 7.948 1.00 0.00 H new ATOM 477 N GLU A 28 12.621 11.224 9.738 1.00 0.00 N ATOM 478 CA GLU A 28 13.358 12.493 9.498 1.00 0.00 C ATOM 479 C GLU A 28 13.366 13.286 10.803 1.00 0.00 C ATOM 480 O GLU A 28 14.285 14.023 11.095 1.00 0.00 O ATOM 481 CB GLU A 28 12.650 13.300 8.408 1.00 0.00 C ATOM 482 CG GLU A 28 13.689 13.932 7.479 1.00 0.00 C ATOM 483 CD GLU A 28 13.154 13.943 6.046 1.00 0.00 C ATOM 484 OE1 GLU A 28 12.490 14.902 5.690 1.00 0.00 O ATOM 485 OE2 GLU A 28 13.417 12.992 5.329 1.00 0.00 O ATOM 0 H GLU A 28 11.651 11.219 9.422 1.00 0.00 H new ATOM 0 HA GLU A 28 14.378 12.286 9.173 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.983 12.653 7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.032 14.076 8.860 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.911 14.949 7.803 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.623 13.371 7.525 1.00 0.00 H new ATOM 492 N LYS A 29 12.347 13.112 11.600 1.00 0.00 N ATOM 493 CA LYS A 29 12.279 13.823 12.904 1.00 0.00 C ATOM 494 C LYS A 29 13.144 13.065 13.902 1.00 0.00 C ATOM 495 O LYS A 29 13.738 13.640 14.787 1.00 0.00 O ATOM 496 CB LYS A 29 10.831 13.858 13.402 1.00 0.00 C ATOM 497 CG LYS A 29 10.225 15.236 13.123 1.00 0.00 C ATOM 498 CD LYS A 29 9.050 15.479 14.073 1.00 0.00 C ATOM 499 CE LYS A 29 7.905 14.524 13.729 1.00 0.00 C ATOM 500 NZ LYS A 29 6.984 15.183 12.760 1.00 0.00 N ATOM 0 H LYS A 29 11.554 12.503 11.400 1.00 0.00 H new ATOM 0 HA LYS A 29 12.635 14.847 12.793 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.246 13.085 12.904 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.798 13.645 14.470 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.980 16.011 13.256 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.888 15.294 12.088 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.366 15.327 15.105 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.712 16.512 13.992 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.301 13.603 13.302 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.362 14.249 14.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.294 14.488 12.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.481 15.961 13.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.533 15.560 11.961 1.00 0.00 H new ATOM 514 N ASN A 30 13.234 11.772 13.749 1.00 0.00 N ATOM 515 CA ASN A 30 14.079 10.968 14.671 1.00 0.00 C ATOM 516 C ASN A 30 15.536 11.149 14.259 1.00 0.00 C ATOM 517 O ASN A 30 16.430 11.155 15.078 1.00 0.00 O ATOM 518 CB ASN A 30 13.693 9.491 14.572 1.00 0.00 C ATOM 519 CG ASN A 30 14.771 8.633 15.240 1.00 0.00 C ATOM 520 OD1 ASN A 30 15.115 8.849 16.385 1.00 0.00 O ATOM 521 ND2 ASN A 30 15.322 7.660 14.566 1.00 0.00 N ATOM 0 H ASN A 30 12.757 11.238 13.023 1.00 0.00 H new ATOM 0 HA ASN A 30 13.934 11.298 15.700 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.730 9.323 15.054 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.581 9.203 13.527 1.00 0.00 H new ATOM 0 HD21 ASN A 30 16.041 7.082 15.001 1.00 0.00 H new ATOM 0 HD22 ASN A 30 15.034 7.478 13.605 1.00 0.00 H new ATOM 528 N SER A 31 15.775 11.317 12.988 1.00 0.00 N ATOM 529 CA SER A 31 17.169 11.523 12.512 1.00 0.00 C ATOM 530 C SER A 31 17.601 12.934 12.907 1.00 0.00 C ATOM 531 O SER A 31 18.725 13.167 13.306 1.00 0.00 O ATOM 532 CB SER A 31 17.218 11.378 10.990 1.00 0.00 C ATOM 533 OG SER A 31 17.068 10.008 10.642 1.00 0.00 O ATOM 0 H SER A 31 15.063 11.320 12.258 1.00 0.00 H new ATOM 0 HA SER A 31 17.835 10.784 12.958 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.426 11.970 10.531 1.00 0.00 H new ATOM 0 HB3 SER A 31 18.164 11.760 10.607 1.00 0.00 H new ATOM 0 HG SER A 31 16.115 9.790 10.573 1.00 0.00 H new ATOM 539 N GLN A 32 16.703 13.876 12.808 1.00 0.00 N ATOM 540 CA GLN A 32 17.042 15.275 13.185 1.00 0.00 C ATOM 541 C GLN A 32 17.122 15.373 14.708 1.00 0.00 C ATOM 542 O GLN A 32 17.886 16.144 15.247 1.00 0.00 O ATOM 543 CB GLN A 32 15.958 16.223 12.668 1.00 0.00 C ATOM 544 CG GLN A 32 16.485 16.986 11.451 1.00 0.00 C ATOM 545 CD GLN A 32 15.401 17.929 10.929 1.00 0.00 C ATOM 546 OE1 GLN A 32 14.336 17.493 10.539 1.00 0.00 O ATOM 547 NE2 GLN A 32 15.628 19.213 10.906 1.00 0.00 N ATOM 0 H GLN A 32 15.747 13.735 12.481 1.00 0.00 H new ATOM 0 HA GLN A 32 18.000 15.553 12.746 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.065 15.659 12.398 1.00 0.00 H new ATOM 0 HB3 GLN A 32 15.668 16.923 13.452 1.00 0.00 H new ATOM 0 HG2 GLN A 32 17.375 17.553 11.722 1.00 0.00 H new ATOM 0 HG3 GLN A 32 16.779 16.286 10.669 1.00 0.00 H new ATOM 0 HE21 GLN A 32 16.522 19.579 11.233 1.00 0.00 H new ATOM 0 HE22 GLN A 32 14.911 19.851 10.561 1.00 0.00 H new ATOM 556 N LEU A 33 16.348 14.587 15.407 1.00 0.00 N ATOM 557 CA LEU A 33 16.395 14.631 16.895 1.00 0.00 C ATOM 558 C LEU A 33 17.592 13.810 17.363 1.00 0.00 C ATOM 559 O LEU A 33 18.130 14.029 18.428 1.00 0.00 O ATOM 560 CB LEU A 33 15.108 14.046 17.483 1.00 0.00 C ATOM 561 CG LEU A 33 14.666 14.894 18.676 1.00 0.00 C ATOM 562 CD1 LEU A 33 14.158 16.248 18.180 1.00 0.00 C ATOM 563 CD2 LEU A 33 13.543 14.174 19.427 1.00 0.00 C ATOM 0 H LEU A 33 15.687 13.918 15.012 1.00 0.00 H new ATOM 0 HA LEU A 33 16.490 15.664 17.230 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.324 14.027 16.726 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.274 13.015 17.796 1.00 0.00 H new ATOM 0 HG LEU A 33 15.513 15.046 19.345 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.843 16.852 19.031 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.956 16.762 17.645 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.312 16.096 17.510 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.228 14.779 20.277 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.697 14.021 18.757 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.903 13.208 19.782 1.00 0.00 H new ATOM 575 N GLU A 34 18.026 12.879 16.559 1.00 0.00 N ATOM 576 CA GLU A 34 19.206 12.058 16.938 1.00 0.00 C ATOM 577 C GLU A 34 20.457 12.881 16.649 1.00 0.00 C ATOM 578 O GLU A 34 21.464 12.767 17.318 1.00 0.00 O ATOM 579 CB GLU A 34 19.230 10.772 16.110 1.00 0.00 C ATOM 580 CG GLU A 34 20.529 10.012 16.384 1.00 0.00 C ATOM 581 CD GLU A 34 20.224 8.523 16.553 1.00 0.00 C ATOM 582 OE1 GLU A 34 19.934 7.882 15.557 1.00 0.00 O ATOM 583 OE2 GLU A 34 20.282 8.050 17.676 1.00 0.00 O ATOM 0 H GLU A 34 17.612 12.652 15.655 1.00 0.00 H new ATOM 0 HA GLU A 34 19.161 11.789 17.993 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.372 10.149 16.362 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.152 11.009 15.049 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.229 10.159 15.562 1.00 0.00 H new ATOM 0 HG3 GLU A 34 21.007 10.400 17.283 1.00 0.00 H new ATOM 590 N ARG A 35 20.386 13.727 15.656 1.00 0.00 N ATOM 591 CA ARG A 35 21.550 14.586 15.315 1.00 0.00 C ATOM 592 C ARG A 35 21.619 15.732 16.323 1.00 0.00 C ATOM 593 O ARG A 35 22.675 16.088 16.803 1.00 0.00 O ATOM 594 CB ARG A 35 21.366 15.154 13.906 1.00 0.00 C ATOM 595 CG ARG A 35 22.657 14.975 13.103 1.00 0.00 C ATOM 596 CD ARG A 35 22.622 15.888 11.876 1.00 0.00 C ATOM 597 NE ARG A 35 22.198 15.102 10.685 1.00 0.00 N ATOM 598 CZ ARG A 35 22.646 15.419 9.501 1.00 0.00 C ATOM 599 NH1 ARG A 35 23.927 15.581 9.310 1.00 0.00 N ATOM 600 NH2 ARG A 35 21.813 15.577 8.508 1.00 0.00 N ATOM 0 H ARG A 35 19.565 13.858 15.065 1.00 0.00 H new ATOM 0 HA ARG A 35 22.471 14.003 15.349 1.00 0.00 H new ATOM 0 HB2 ARG A 35 20.542 14.647 13.404 1.00 0.00 H new ATOM 0 HB3 ARG A 35 21.105 16.211 13.961 1.00 0.00 H new ATOM 0 HG2 ARG A 35 23.521 15.214 13.724 1.00 0.00 H new ATOM 0 HG3 ARG A 35 22.765 13.935 12.794 1.00 0.00 H new ATOM 0 HD2 ARG A 35 21.932 16.715 12.044 1.00 0.00 H new ATOM 0 HD3 ARG A 35 23.606 16.324 11.706 1.00 0.00 H new ATOM 0 HE ARG A 35 21.557 14.316 10.794 1.00 0.00 H new ATOM 0 HH11 ARG A 35 24.578 15.460 10.086 1.00 0.00 H new ATOM 0 HH12 ARG A 35 24.277 15.829 8.385 1.00 0.00 H new ATOM 0 HH21 ARG A 35 20.812 15.453 8.658 1.00 0.00 H new ATOM 0 HH22 ARG A 35 22.164 15.825 7.583 1.00 0.00 H new ATOM 614 N GLU A 36 20.494 16.302 16.659 1.00 0.00 N ATOM 615 CA GLU A 36 20.487 17.413 17.647 1.00 0.00 C ATOM 616 C GLU A 36 20.694 16.824 19.040 1.00 0.00 C ATOM 617 O GLU A 36 21.233 17.459 19.922 1.00 0.00 O ATOM 618 CB GLU A 36 19.147 18.149 17.593 1.00 0.00 C ATOM 619 CG GLU A 36 19.364 19.560 17.042 1.00 0.00 C ATOM 620 CD GLU A 36 19.179 20.580 18.168 1.00 0.00 C ATOM 621 OE1 GLU A 36 18.279 20.390 18.970 1.00 0.00 O ATOM 622 OE2 GLU A 36 19.938 21.534 18.206 1.00 0.00 O ATOM 0 H GLU A 36 19.579 16.044 16.290 1.00 0.00 H new ATOM 0 HA GLU A 36 21.284 18.120 17.416 1.00 0.00 H new ATOM 0 HB2 GLU A 36 18.445 17.604 16.961 1.00 0.00 H new ATOM 0 HB3 GLU A 36 18.707 18.199 18.589 1.00 0.00 H new ATOM 0 HG2 GLU A 36 20.365 19.647 16.619 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.658 19.760 16.236 1.00 0.00 H new ATOM 629 N ASN A 37 20.288 15.600 19.231 1.00 0.00 N ATOM 630 CA ASN A 37 20.476 14.949 20.554 1.00 0.00 C ATOM 631 C ASN A 37 21.938 14.528 20.671 1.00 0.00 C ATOM 632 O ASN A 37 22.516 14.538 21.737 1.00 0.00 O ATOM 633 CB ASN A 37 19.573 13.718 20.654 1.00 0.00 C ATOM 634 CG ASN A 37 19.993 12.871 21.857 1.00 0.00 C ATOM 635 OD1 ASN A 37 20.498 11.778 21.698 1.00 0.00 O ATOM 636 ND2 ASN A 37 19.804 13.334 23.063 1.00 0.00 N ATOM 0 H ASN A 37 19.833 15.022 18.525 1.00 0.00 H new ATOM 0 HA ASN A 37 20.217 15.639 21.357 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.532 14.025 20.758 1.00 0.00 H new ATOM 0 HB3 ASN A 37 19.642 13.129 19.740 1.00 0.00 H new ATOM 0 HD21 ASN A 37 20.081 12.778 23.872 1.00 0.00 H new ATOM 0 HD22 ASN A 37 19.380 14.252 23.196 1.00 0.00 H new ATOM 643 N THR A 38 22.544 14.176 19.569 1.00 0.00 N ATOM 644 CA THR A 38 23.976 13.773 19.601 1.00 0.00 C ATOM 645 C THR A 38 24.828 15.033 19.722 1.00 0.00 C ATOM 646 O THR A 38 25.890 15.025 20.309 1.00 0.00 O ATOM 647 CB THR A 38 24.333 13.031 18.310 1.00 0.00 C ATOM 648 OG1 THR A 38 23.579 11.829 18.234 1.00 0.00 O ATOM 649 CG2 THR A 38 25.828 12.701 18.307 1.00 0.00 C ATOM 0 H THR A 38 22.107 14.151 18.648 1.00 0.00 H new ATOM 0 HA THR A 38 24.160 13.113 20.448 1.00 0.00 H new ATOM 0 HB THR A 38 24.101 13.660 17.451 1.00 0.00 H new ATOM 0 HG1 THR A 38 22.873 11.927 17.561 1.00 0.00 H new ATOM 0 HG21 THR A 38 26.082 12.173 17.388 1.00 0.00 H new ATOM 0 HG22 THR A 38 26.404 13.624 18.366 1.00 0.00 H new ATOM 0 HG23 THR A 38 26.063 12.071 19.165 1.00 0.00 H new ATOM 657 N LEU A 39 24.361 16.123 19.179 1.00 0.00 N ATOM 658 CA LEU A 39 25.132 17.390 19.274 1.00 0.00 C ATOM 659 C LEU A 39 24.938 17.981 20.668 1.00 0.00 C ATOM 660 O LEU A 39 25.817 18.614 21.212 1.00 0.00 O ATOM 661 CB LEU A 39 24.630 18.381 18.221 1.00 0.00 C ATOM 662 CG LEU A 39 25.401 19.696 18.355 1.00 0.00 C ATOM 663 CD1 LEU A 39 26.802 19.530 17.764 1.00 0.00 C ATOM 664 CD2 LEU A 39 24.658 20.802 17.601 1.00 0.00 C ATOM 0 H LEU A 39 23.478 16.189 18.673 1.00 0.00 H new ATOM 0 HA LEU A 39 26.189 17.192 19.099 1.00 0.00 H new ATOM 0 HB2 LEU A 39 24.765 17.967 17.222 1.00 0.00 H new ATOM 0 HB3 LEU A 39 23.562 18.557 18.351 1.00 0.00 H new ATOM 0 HG LEU A 39 25.481 19.964 19.409 1.00 0.00 H new ATOM 0 HD11 LEU A 39 27.351 20.467 17.860 1.00 0.00 H new ATOM 0 HD12 LEU A 39 27.332 18.743 18.300 1.00 0.00 H new ATOM 0 HD13 LEU A 39 26.723 19.262 16.710 1.00 0.00 H new ATOM 0 HD21 LEU A 39 25.207 21.739 17.696 1.00 0.00 H new ATOM 0 HD22 LEU A 39 24.578 20.534 16.548 1.00 0.00 H new ATOM 0 HD23 LEU A 39 23.660 20.922 18.022 1.00 0.00 H new ATOM 676 N LEU A 40 23.792 17.767 21.257 1.00 0.00 N ATOM 677 CA LEU A 40 23.546 18.303 22.625 1.00 0.00 C ATOM 678 C LEU A 40 24.240 17.392 23.637 1.00 0.00 C ATOM 679 O LEU A 40 24.701 17.829 24.670 1.00 0.00 O ATOM 680 CB LEU A 40 22.041 18.333 22.905 1.00 0.00 C ATOM 681 CG LEU A 40 21.475 19.698 22.505 1.00 0.00 C ATOM 682 CD1 LEU A 40 19.958 19.590 22.326 1.00 0.00 C ATOM 683 CD2 LEU A 40 21.786 20.720 23.601 1.00 0.00 C ATOM 0 H LEU A 40 23.017 17.244 20.849 1.00 0.00 H new ATOM 0 HA LEU A 40 23.940 19.316 22.704 1.00 0.00 H new ATOM 0 HB2 LEU A 40 21.540 17.542 22.347 1.00 0.00 H new ATOM 0 HB3 LEU A 40 21.853 18.145 23.962 1.00 0.00 H new ATOM 0 HG LEU A 40 21.930 20.019 21.568 1.00 0.00 H new ATOM 0 HD11 LEU A 40 19.555 20.562 22.041 1.00 0.00 H new ATOM 0 HD12 LEU A 40 19.735 18.862 21.546 1.00 0.00 H new ATOM 0 HD13 LEU A 40 19.503 19.269 23.263 1.00 0.00 H new ATOM 0 HD21 LEU A 40 21.383 21.692 23.317 1.00 0.00 H new ATOM 0 HD22 LEU A 40 21.331 20.399 24.538 1.00 0.00 H new ATOM 0 HD23 LEU A 40 22.866 20.798 23.730 1.00 0.00 H new ATOM 695 N LYS A 41 24.331 16.126 23.333 1.00 0.00 N ATOM 696 CA LYS A 41 25.010 15.180 24.261 1.00 0.00 C ATOM 697 C LYS A 41 26.517 15.406 24.165 1.00 0.00 C ATOM 698 O LYS A 41 27.228 15.357 25.149 1.00 0.00 O ATOM 699 CB LYS A 41 24.670 13.740 23.861 1.00 0.00 C ATOM 700 CG LYS A 41 25.641 12.766 24.534 1.00 0.00 C ATOM 701 CD LYS A 41 25.376 12.727 26.041 1.00 0.00 C ATOM 702 CE LYS A 41 26.438 11.861 26.722 1.00 0.00 C ATOM 703 NZ LYS A 41 26.100 10.421 26.534 1.00 0.00 N ATOM 0 H LYS A 41 23.963 15.706 22.479 1.00 0.00 H new ATOM 0 HA LYS A 41 24.676 15.349 25.285 1.00 0.00 H new ATOM 0 HB2 LYS A 41 23.646 13.505 24.152 1.00 0.00 H new ATOM 0 HB3 LYS A 41 24.726 13.632 22.778 1.00 0.00 H new ATOM 0 HG2 LYS A 41 25.523 11.769 24.109 1.00 0.00 H new ATOM 0 HG3 LYS A 41 26.669 13.074 24.344 1.00 0.00 H new ATOM 0 HD2 LYS A 41 25.397 13.737 26.451 1.00 0.00 H new ATOM 0 HD3 LYS A 41 24.382 12.324 26.236 1.00 0.00 H new ATOM 0 HE2 LYS A 41 27.421 12.073 26.300 1.00 0.00 H new ATOM 0 HE3 LYS A 41 26.489 12.098 27.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 26.821 9.832 26.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 25.170 10.225 26.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 26.073 10.201 25.518 1.00 0.00 H new ATOM 717 N THR A 42 27.010 15.673 22.986 1.00 0.00 N ATOM 718 CA THR A 42 28.469 15.923 22.828 1.00 0.00 C ATOM 719 C THR A 42 28.779 17.334 23.330 1.00 0.00 C ATOM 720 O THR A 42 29.843 17.602 23.847 1.00 0.00 O ATOM 721 CB THR A 42 28.856 15.808 21.352 1.00 0.00 C ATOM 722 OG1 THR A 42 28.503 14.518 20.872 1.00 0.00 O ATOM 723 CG2 THR A 42 30.364 16.018 21.200 1.00 0.00 C ATOM 0 H THR A 42 26.464 15.729 22.126 1.00 0.00 H new ATOM 0 HA THR A 42 29.036 15.189 23.401 1.00 0.00 H new ATOM 0 HB THR A 42 28.327 16.567 20.776 1.00 0.00 H new ATOM 0 HG1 THR A 42 27.592 14.541 20.511 1.00 0.00 H new ATOM 0 HG21 THR A 42 30.639 15.936 20.148 1.00 0.00 H new ATOM 0 HG22 THR A 42 30.633 17.008 21.569 1.00 0.00 H new ATOM 0 HG23 THR A 42 30.897 15.260 21.774 1.00 0.00 H new ATOM 731 N LEU A 43 27.842 18.231 23.191 1.00 0.00 N ATOM 732 CA LEU A 43 28.057 19.626 23.666 1.00 0.00 C ATOM 733 C LEU A 43 28.094 19.623 25.194 1.00 0.00 C ATOM 734 O LEU A 43 28.889 20.304 25.811 1.00 0.00 O ATOM 735 CB LEU A 43 26.902 20.507 23.180 1.00 0.00 C ATOM 736 CG LEU A 43 27.162 21.962 23.571 1.00 0.00 C ATOM 737 CD1 LEU A 43 27.607 22.750 22.337 1.00 0.00 C ATOM 738 CD2 LEU A 43 25.873 22.574 24.125 1.00 0.00 C ATOM 0 H LEU A 43 26.931 18.056 22.766 1.00 0.00 H new ATOM 0 HA LEU A 43 28.997 20.017 23.275 1.00 0.00 H new ATOM 0 HB2 LEU A 43 26.799 20.424 22.098 1.00 0.00 H new ATOM 0 HB3 LEU A 43 25.963 20.166 23.616 1.00 0.00 H new ATOM 0 HG LEU A 43 27.944 22.002 24.330 1.00 0.00 H new ATOM 0 HD11 LEU A 43 27.792 23.787 22.615 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.521 22.313 21.936 1.00 0.00 H new ATOM 0 HD13 LEU A 43 26.824 22.712 21.579 1.00 0.00 H new ATOM 0 HD21 LEU A 43 26.054 23.612 24.405 1.00 0.00 H new ATOM 0 HD22 LEU A 43 25.095 22.534 23.363 1.00 0.00 H new ATOM 0 HD23 LEU A 43 25.551 22.012 25.002 1.00 0.00 H new ATOM 750 N ALA A 44 27.247 18.844 25.806 1.00 0.00 N ATOM 751 CA ALA A 44 27.237 18.773 27.293 1.00 0.00 C ATOM 752 C ALA A 44 28.117 17.603 27.738 1.00 0.00 C ATOM 753 O ALA A 44 28.117 17.213 28.888 1.00 0.00 O ATOM 754 CB ALA A 44 25.806 18.556 27.788 1.00 0.00 C ATOM 0 H ALA A 44 26.560 18.252 25.339 1.00 0.00 H new ATOM 0 HA ALA A 44 27.621 19.704 27.710 1.00 0.00 H new ATOM 0 HB1 ALA A 44 25.802 18.504 28.877 1.00 0.00 H new ATOM 0 HB2 ALA A 44 25.178 19.385 27.461 1.00 0.00 H new ATOM 0 HB3 ALA A 44 25.417 17.624 27.379 1.00 0.00 H new ATOM 760 N SER A 45 28.867 17.046 26.825 1.00 0.00 N ATOM 761 CA SER A 45 29.757 15.903 27.169 1.00 0.00 C ATOM 762 C SER A 45 30.902 16.361 28.084 1.00 0.00 C ATOM 763 O SER A 45 31.212 15.692 29.048 1.00 0.00 O ATOM 764 CB SER A 45 30.340 15.314 25.884 1.00 0.00 C ATOM 765 OG SER A 45 31.581 14.685 26.178 1.00 0.00 O ATOM 0 H SER A 45 28.900 17.338 25.848 1.00 0.00 H new ATOM 0 HA SER A 45 29.171 15.149 27.695 1.00 0.00 H new ATOM 0 HB2 SER A 45 29.646 14.592 25.453 1.00 0.00 H new ATOM 0 HB3 SER A 45 30.484 16.100 25.142 1.00 0.00 H new ATOM 0 HG SER A 45 31.958 14.305 25.357 1.00 0.00 H new ATOM 771 N PRO A 46 31.510 17.482 27.762 1.00 0.00 N ATOM 772 CA PRO A 46 32.632 18.017 28.556 1.00 0.00 C ATOM 773 C PRO A 46 32.141 18.698 29.846 1.00 0.00 C ATOM 774 O PRO A 46 32.839 19.498 30.431 1.00 0.00 O ATOM 775 CB PRO A 46 33.287 19.031 27.614 1.00 0.00 C ATOM 776 CG PRO A 46 32.210 19.430 26.579 1.00 0.00 C ATOM 777 CD PRO A 46 31.149 18.314 26.595 1.00 0.00 C ATOM 0 HA PRO A 46 33.317 17.237 28.888 1.00 0.00 H new ATOM 0 HB2 PRO A 46 33.636 19.904 28.166 1.00 0.00 H new ATOM 0 HB3 PRO A 46 34.157 18.597 27.121 1.00 0.00 H new ATOM 0 HG2 PRO A 46 31.765 20.392 26.834 1.00 0.00 H new ATOM 0 HG3 PRO A 46 32.647 19.535 25.586 1.00 0.00 H new ATOM 0 HD2 PRO A 46 30.143 18.723 26.694 1.00 0.00 H new ATOM 0 HD3 PRO A 46 31.168 17.734 25.672 1.00 0.00 H new ATOM 1507 N GLU B 17 -0.586 -4.026 10.823 1.00 0.00 N ATOM 1508 CA GLU B 17 0.417 -4.179 11.915 1.00 0.00 C ATOM 1509 C GLU B 17 1.784 -3.650 11.474 1.00 0.00 C ATOM 1510 O GLU B 17 2.498 -3.048 12.247 1.00 0.00 O ATOM 1511 CB GLU B 17 0.541 -5.660 12.276 1.00 0.00 C ATOM 1512 CG GLU B 17 0.624 -5.811 13.796 1.00 0.00 C ATOM 1513 CD GLU B 17 -0.760 -6.154 14.352 1.00 0.00 C ATOM 1514 OE1 GLU B 17 -1.716 -6.078 13.598 1.00 0.00 O ATOM 1515 OE2 GLU B 17 -0.839 -6.489 15.524 1.00 0.00 O ATOM 0 HA GLU B 17 0.085 -3.605 12.780 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -0.317 -6.212 11.892 1.00 0.00 H new ATOM 0 HB3 GLU B 17 1.429 -6.086 11.809 1.00 0.00 H new ATOM 0 HG2 GLU B 17 1.336 -6.594 14.056 1.00 0.00 H new ATOM 0 HG3 GLU B 17 0.989 -4.887 14.244 1.00 0.00 H new ATOM 1522 N ILE B 18 2.168 -3.880 10.250 1.00 0.00 N ATOM 1523 CA ILE B 18 3.501 -3.392 9.795 1.00 0.00 C ATOM 1524 C ILE B 18 3.503 -1.859 9.747 1.00 0.00 C ATOM 1525 O ILE B 18 4.543 -1.230 9.772 1.00 0.00 O ATOM 1526 CB ILE B 18 3.811 -3.967 8.409 1.00 0.00 C ATOM 1527 CG1 ILE B 18 5.317 -3.878 8.152 1.00 0.00 C ATOM 1528 CG2 ILE B 18 3.061 -3.179 7.332 1.00 0.00 C ATOM 1529 CD1 ILE B 18 6.032 -4.992 8.919 1.00 0.00 C ATOM 0 H ILE B 18 1.622 -4.381 9.549 1.00 0.00 H new ATOM 0 HA ILE B 18 4.268 -3.722 10.496 1.00 0.00 H new ATOM 0 HB ILE B 18 3.491 -5.008 8.373 1.00 0.00 H new ATOM 0 HG12 ILE B 18 5.521 -3.968 7.085 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.694 -2.905 8.467 1.00 0.00 H new ATOM 0 HG21 ILE B 18 3.289 -3.596 6.351 1.00 0.00 H new ATOM 0 HG22 ILE B 18 1.988 -3.244 7.514 1.00 0.00 H new ATOM 0 HG23 ILE B 18 3.371 -2.135 7.363 1.00 0.00 H new ATOM 0 HD11 ILE B 18 7.105 -4.929 8.736 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.839 -4.881 9.986 1.00 0.00 H new ATOM 0 HD13 ILE B 18 5.663 -5.961 8.582 1.00 0.00 H new ATOM 1541 N LEU B 19 2.348 -1.255 9.685 1.00 0.00 N ATOM 1542 CA LEU B 19 2.283 0.234 9.638 1.00 0.00 C ATOM 1543 C LEU B 19 2.264 0.789 11.066 1.00 0.00 C ATOM 1544 O LEU B 19 2.981 1.713 11.391 1.00 0.00 O ATOM 1545 CB LEU B 19 1.008 0.659 8.904 1.00 0.00 C ATOM 1546 CG LEU B 19 1.034 2.167 8.648 1.00 0.00 C ATOM 1547 CD1 LEU B 19 0.801 2.913 9.963 1.00 0.00 C ATOM 1548 CD2 LEU B 19 2.392 2.566 8.068 1.00 0.00 C ATOM 0 H LEU B 19 1.445 -1.729 9.665 1.00 0.00 H new ATOM 0 HA LEU B 19 3.154 0.624 9.112 1.00 0.00 H new ATOM 0 HB2 LEU B 19 0.926 0.122 7.959 1.00 0.00 H new ATOM 0 HB3 LEU B 19 0.132 0.397 9.497 1.00 0.00 H new ATOM 0 HG LEU B 19 0.248 2.427 7.939 1.00 0.00 H new ATOM 0 HD11 LEU B 19 0.820 3.987 9.780 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -0.169 2.632 10.374 1.00 0.00 H new ATOM 0 HD13 LEU B 19 1.586 2.652 10.673 1.00 0.00 H new ATOM 0 HD21 LEU B 19 2.408 3.641 7.886 1.00 0.00 H new ATOM 0 HD22 LEU B 19 3.180 2.305 8.774 1.00 0.00 H new ATOM 0 HD23 LEU B 19 2.556 2.037 7.129 1.00 0.00 H new ATOM 1560 N LYS B 20 1.444 0.236 11.917 1.00 0.00 N ATOM 1561 CA LYS B 20 1.374 0.732 13.320 1.00 0.00 C ATOM 1562 C LYS B 20 2.640 0.322 14.071 1.00 0.00 C ATOM 1563 O LYS B 20 3.004 0.917 15.064 1.00 0.00 O ATOM 1564 CB LYS B 20 0.149 0.128 14.015 1.00 0.00 C ATOM 1565 CG LYS B 20 -0.035 0.780 15.387 1.00 0.00 C ATOM 1566 CD LYS B 20 0.317 -0.226 16.483 1.00 0.00 C ATOM 1567 CE LYS B 20 -0.860 -0.362 17.451 1.00 0.00 C ATOM 1568 NZ LYS B 20 -1.045 -1.797 17.810 1.00 0.00 N ATOM 0 H LYS B 20 0.818 -0.540 11.700 1.00 0.00 H new ATOM 0 HA LYS B 20 1.291 1.819 13.316 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -0.741 0.283 13.405 1.00 0.00 H new ATOM 0 HB3 LYS B 20 0.276 -0.949 14.127 1.00 0.00 H new ATOM 0 HG2 LYS B 20 0.601 1.661 15.470 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -1.065 1.117 15.506 1.00 0.00 H new ATOM 0 HD2 LYS B 20 0.551 -1.194 16.041 1.00 0.00 H new ATOM 0 HD3 LYS B 20 1.207 0.102 17.020 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -0.676 0.228 18.349 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -1.768 0.029 16.993 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -1.845 -1.890 18.468 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -1.239 -2.348 16.949 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -0.180 -2.156 18.263 1.00 0.00 H new ATOM 1582 N GLU B 21 3.317 -0.689 13.603 1.00 0.00 N ATOM 1583 CA GLU B 21 4.561 -1.134 14.288 1.00 0.00 C ATOM 1584 C GLU B 21 5.707 -0.209 13.887 1.00 0.00 C ATOM 1585 O GLU B 21 6.561 0.115 14.683 1.00 0.00 O ATOM 1586 CB GLU B 21 4.889 -2.571 13.879 1.00 0.00 C ATOM 1587 CG GLU B 21 4.070 -3.544 14.732 1.00 0.00 C ATOM 1588 CD GLU B 21 4.942 -4.089 15.867 1.00 0.00 C ATOM 1589 OE1 GLU B 21 5.472 -3.287 16.618 1.00 0.00 O ATOM 1590 OE2 GLU B 21 5.062 -5.299 15.965 1.00 0.00 O ATOM 0 H GLU B 21 3.062 -1.227 12.775 1.00 0.00 H new ATOM 0 HA GLU B 21 4.420 -1.096 15.368 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.665 -2.720 12.823 1.00 0.00 H new ATOM 0 HB3 GLU B 21 5.954 -2.764 14.010 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.196 -3.038 15.142 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.703 -4.364 14.115 1.00 0.00 H new ATOM 1597 N GLN B 22 5.729 0.227 12.657 1.00 0.00 N ATOM 1598 CA GLN B 22 6.818 1.142 12.219 1.00 0.00 C ATOM 1599 C GLN B 22 6.548 2.536 12.785 1.00 0.00 C ATOM 1600 O GLN B 22 7.454 3.249 13.164 1.00 0.00 O ATOM 1601 CB GLN B 22 6.856 1.201 10.691 1.00 0.00 C ATOM 1602 CG GLN B 22 7.468 -0.092 10.147 1.00 0.00 C ATOM 1603 CD GLN B 22 8.974 0.095 9.956 1.00 0.00 C ATOM 1604 OE1 GLN B 22 9.403 0.981 9.243 1.00 0.00 O ATOM 1605 NE2 GLN B 22 9.802 -0.710 10.565 1.00 0.00 N ATOM 0 H GLN B 22 5.043 -0.010 11.940 1.00 0.00 H new ATOM 0 HA GLN B 22 7.779 0.777 12.583 1.00 0.00 H new ATOM 0 HB2 GLN B 22 5.849 1.334 10.296 1.00 0.00 H new ATOM 0 HB3 GLN B 22 7.442 2.060 10.364 1.00 0.00 H new ATOM 0 HG2 GLN B 22 7.278 -0.915 10.836 1.00 0.00 H new ATOM 0 HG3 GLN B 22 7.001 -0.357 9.198 1.00 0.00 H new ATOM 0 HE21 GLN B 22 9.443 -1.454 11.164 1.00 0.00 H new ATOM 0 HE22 GLN B 22 10.808 -0.595 10.442 1.00 0.00 H new ATOM 1614 N ILE B 23 5.302 2.923 12.857 1.00 0.00 N ATOM 1615 CA ILE B 23 4.969 4.263 13.411 1.00 0.00 C ATOM 1616 C ILE B 23 5.064 4.208 14.936 1.00 0.00 C ATOM 1617 O ILE B 23 5.378 5.184 15.584 1.00 0.00 O ATOM 1618 CB ILE B 23 3.548 4.653 12.994 1.00 0.00 C ATOM 1619 CG1 ILE B 23 3.296 6.118 13.357 1.00 0.00 C ATOM 1620 CG2 ILE B 23 2.539 3.765 13.723 1.00 0.00 C ATOM 1621 CD1 ILE B 23 1.992 6.590 12.710 1.00 0.00 C ATOM 0 H ILE B 23 4.502 2.367 12.555 1.00 0.00 H new ATOM 0 HA ILE B 23 5.668 5.006 13.027 1.00 0.00 H new ATOM 0 HB ILE B 23 3.435 4.520 11.918 1.00 0.00 H new ATOM 0 HG12 ILE B 23 3.238 6.230 14.440 1.00 0.00 H new ATOM 0 HG13 ILE B 23 4.127 6.736 13.017 1.00 0.00 H new ATOM 0 HG21 ILE B 23 1.528 4.043 13.426 1.00 0.00 H new ATOM 0 HG22 ILE B 23 2.719 2.722 13.464 1.00 0.00 H new ATOM 0 HG23 ILE B 23 2.650 3.896 14.799 1.00 0.00 H new ATOM 0 HD11 ILE B 23 1.814 7.634 12.970 1.00 0.00 H new ATOM 0 HD12 ILE B 23 2.067 6.493 11.627 1.00 0.00 H new ATOM 0 HD13 ILE B 23 1.165 5.980 13.072 1.00 0.00 H new ATOM 1633 N ARG B 24 4.808 3.067 15.515 1.00 0.00 N ATOM 1634 CA ARG B 24 4.902 2.946 16.997 1.00 0.00 C ATOM 1635 C ARG B 24 6.378 2.887 17.386 1.00 0.00 C ATOM 1636 O ARG B 24 6.796 3.450 18.377 1.00 0.00 O ATOM 1637 CB ARG B 24 4.199 1.668 17.456 1.00 0.00 C ATOM 1638 CG ARG B 24 4.550 1.388 18.920 1.00 0.00 C ATOM 1639 CD ARG B 24 3.572 0.360 19.491 1.00 0.00 C ATOM 1640 NE ARG B 24 4.318 -0.864 19.894 1.00 0.00 N ATOM 1641 CZ ARG B 24 4.745 -0.995 21.120 1.00 0.00 C ATOM 1642 NH1 ARG B 24 4.799 0.044 21.907 1.00 0.00 N ATOM 1643 NH2 ARG B 24 5.117 -2.165 21.558 1.00 0.00 N ATOM 0 H ARG B 24 4.538 2.214 15.026 1.00 0.00 H new ATOM 0 HA ARG B 24 4.423 3.802 17.472 1.00 0.00 H new ATOM 0 HB2 ARG B 24 3.120 1.774 17.344 1.00 0.00 H new ATOM 0 HB3 ARG B 24 4.504 0.828 16.831 1.00 0.00 H new ATOM 0 HG2 ARG B 24 5.571 1.015 18.995 1.00 0.00 H new ATOM 0 HG3 ARG B 24 4.504 2.310 19.499 1.00 0.00 H new ATOM 0 HD2 ARG B 24 3.048 0.779 20.350 1.00 0.00 H new ATOM 0 HD3 ARG B 24 2.816 0.110 18.747 1.00 0.00 H new ATOM 0 HE ARG B 24 4.495 -1.601 19.211 1.00 0.00 H new ATOM 0 HH11 ARG B 24 4.507 0.959 21.564 1.00 0.00 H new ATOM 0 HH12 ARG B 24 5.133 -0.059 22.865 1.00 0.00 H new ATOM 0 HH21 ARG B 24 5.074 -2.977 20.942 1.00 0.00 H new ATOM 0 HH22 ARG B 24 5.451 -2.268 22.516 1.00 0.00 H new ATOM 1657 N GLU B 25 7.170 2.218 16.595 1.00 0.00 N ATOM 1658 CA GLU B 25 8.624 2.126 16.891 1.00 0.00 C ATOM 1659 C GLU B 25 9.274 3.453 16.516 1.00 0.00 C ATOM 1660 O GLU B 25 10.267 3.854 17.082 1.00 0.00 O ATOM 1661 CB GLU B 25 9.246 0.997 16.066 1.00 0.00 C ATOM 1662 CG GLU B 25 10.701 0.797 16.489 1.00 0.00 C ATOM 1663 CD GLU B 25 10.797 -0.398 17.436 1.00 0.00 C ATOM 1664 OE1 GLU B 25 10.183 -0.345 18.490 1.00 0.00 O ATOM 1665 OE2 GLU B 25 11.481 -1.348 17.093 1.00 0.00 O ATOM 0 H GLU B 25 6.869 1.729 15.752 1.00 0.00 H new ATOM 0 HA GLU B 25 8.780 1.917 17.949 1.00 0.00 H new ATOM 0 HB2 GLU B 25 8.684 0.074 16.211 1.00 0.00 H new ATOM 0 HB3 GLU B 25 9.195 1.238 15.004 1.00 0.00 H new ATOM 0 HG2 GLU B 25 11.326 0.630 15.612 1.00 0.00 H new ATOM 0 HG3 GLU B 25 11.075 1.695 16.981 1.00 0.00 H new ATOM 1672 N LEU B 26 8.702 4.143 15.569 1.00 0.00 N ATOM 1673 CA LEU B 26 9.264 5.457 15.159 1.00 0.00 C ATOM 1674 C LEU B 26 8.904 6.488 16.227 1.00 0.00 C ATOM 1675 O LEU B 26 9.678 7.366 16.548 1.00 0.00 O ATOM 1676 CB LEU B 26 8.656 5.874 13.819 1.00 0.00 C ATOM 1677 CG LEU B 26 9.680 5.664 12.702 1.00 0.00 C ATOM 1678 CD1 LEU B 26 10.276 4.261 12.811 1.00 0.00 C ATOM 1679 CD2 LEU B 26 8.989 5.820 11.344 1.00 0.00 C ATOM 0 H LEU B 26 7.867 3.851 15.061 1.00 0.00 H new ATOM 0 HA LEU B 26 10.347 5.389 15.053 1.00 0.00 H new ATOM 0 HB2 LEU B 26 7.759 5.289 13.618 1.00 0.00 H new ATOM 0 HB3 LEU B 26 8.353 6.920 13.856 1.00 0.00 H new ATOM 0 HG LEU B 26 10.476 6.403 12.795 1.00 0.00 H new ATOM 0 HD11 LEU B 26 11.005 4.113 12.015 1.00 0.00 H new ATOM 0 HD12 LEU B 26 10.766 4.148 13.778 1.00 0.00 H new ATOM 0 HD13 LEU B 26 9.482 3.520 12.718 1.00 0.00 H new ATOM 0 HD21 LEU B 26 9.717 5.671 10.546 1.00 0.00 H new ATOM 0 HD22 LEU B 26 8.194 5.080 11.253 1.00 0.00 H new ATOM 0 HD23 LEU B 26 8.564 6.821 11.265 1.00 0.00 H new ATOM 1691 N VAL B 27 7.733 6.373 16.790 1.00 0.00 N ATOM 1692 CA VAL B 27 7.313 7.328 17.850 1.00 0.00 C ATOM 1693 C VAL B 27 7.921 6.877 19.175 1.00 0.00 C ATOM 1694 O VAL B 27 8.077 7.651 20.095 1.00 0.00 O ATOM 1695 CB VAL B 27 5.789 7.339 17.964 1.00 0.00 C ATOM 1696 CG1 VAL B 27 5.373 8.239 19.127 1.00 0.00 C ATOM 1697 CG2 VAL B 27 5.184 7.877 16.665 1.00 0.00 C ATOM 0 H VAL B 27 7.047 5.655 16.559 1.00 0.00 H new ATOM 0 HA VAL B 27 7.655 8.333 17.601 1.00 0.00 H new ATOM 0 HB VAL B 27 5.431 6.325 18.140 1.00 0.00 H new ATOM 0 HG11 VAL B 27 4.286 8.248 19.210 1.00 0.00 H new ATOM 0 HG12 VAL B 27 5.804 7.859 20.053 1.00 0.00 H new ATOM 0 HG13 VAL B 27 5.732 9.253 18.949 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.097 7.885 16.746 1.00 0.00 H new ATOM 0 HG22 VAL B 27 5.542 8.891 16.490 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.481 7.238 15.833 1.00 0.00 H new ATOM 1707 N GLU B 28 8.278 5.626 19.269 1.00 0.00 N ATOM 1708 CA GLU B 28 8.896 5.117 20.521 1.00 0.00 C ATOM 1709 C GLU B 28 10.358 5.553 20.544 1.00 0.00 C ATOM 1710 O GLU B 28 10.889 5.943 21.563 1.00 0.00 O ATOM 1711 CB GLU B 28 8.815 3.589 20.546 1.00 0.00 C ATOM 1712 CG GLU B 28 9.180 3.077 21.940 1.00 0.00 C ATOM 1713 CD GLU B 28 7.901 2.729 22.705 1.00 0.00 C ATOM 1714 OE1 GLU B 28 7.191 3.647 23.082 1.00 0.00 O ATOM 1715 OE2 GLU B 28 7.654 1.550 22.900 1.00 0.00 O ATOM 0 H GLU B 28 8.167 4.933 18.529 1.00 0.00 H new ATOM 0 HA GLU B 28 8.371 5.514 21.390 1.00 0.00 H new ATOM 0 HB2 GLU B 28 7.809 3.264 20.280 1.00 0.00 H new ATOM 0 HB3 GLU B 28 9.493 3.167 19.804 1.00 0.00 H new ATOM 0 HG2 GLU B 28 9.820 2.198 21.861 1.00 0.00 H new ATOM 0 HG3 GLU B 28 9.746 3.835 22.481 1.00 0.00 H new ATOM 1722 N LYS B 29 11.004 5.507 19.410 1.00 0.00 N ATOM 1723 CA LYS B 29 12.425 5.936 19.338 1.00 0.00 C ATOM 1724 C LYS B 29 12.467 7.463 19.360 1.00 0.00 C ATOM 1725 O LYS B 29 13.338 8.062 19.954 1.00 0.00 O ATOM 1726 CB LYS B 29 13.055 5.416 18.042 1.00 0.00 C ATOM 1727 CG LYS B 29 13.757 4.084 18.313 1.00 0.00 C ATOM 1728 CD LYS B 29 13.365 3.069 17.237 1.00 0.00 C ATOM 1729 CE LYS B 29 14.255 3.257 16.007 1.00 0.00 C ATOM 1730 NZ LYS B 29 13.476 3.922 14.924 1.00 0.00 N ATOM 0 H LYS B 29 10.604 5.189 18.527 1.00 0.00 H new ATOM 0 HA LYS B 29 12.984 5.535 20.184 1.00 0.00 H new ATOM 0 HB2 LYS B 29 12.288 5.286 17.279 1.00 0.00 H new ATOM 0 HB3 LYS B 29 13.769 6.143 17.655 1.00 0.00 H new ATOM 0 HG2 LYS B 29 14.838 4.225 18.317 1.00 0.00 H new ATOM 0 HG3 LYS B 29 13.480 3.709 19.299 1.00 0.00 H new ATOM 0 HD2 LYS B 29 13.470 2.055 17.623 1.00 0.00 H new ATOM 0 HD3 LYS B 29 12.318 3.199 16.964 1.00 0.00 H new ATOM 0 HE2 LYS B 29 15.126 3.859 16.265 1.00 0.00 H new ATOM 0 HE3 LYS B 29 14.625 2.291 15.662 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 14.082 4.049 14.088 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 12.658 3.331 14.672 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 13.144 4.850 15.255 1.00 0.00 H new ATOM 1744 N ASN B 30 11.512 8.096 18.733 1.00 0.00 N ATOM 1745 CA ASN B 30 11.480 9.583 18.739 1.00 0.00 C ATOM 1746 C ASN B 30 11.160 10.042 20.160 1.00 0.00 C ATOM 1747 O ASN B 30 11.691 11.019 20.647 1.00 0.00 O ATOM 1748 CB ASN B 30 10.395 10.084 17.780 1.00 0.00 C ATOM 1749 CG ASN B 30 10.816 11.434 17.191 1.00 0.00 C ATOM 1750 OD1 ASN B 30 11.691 11.498 16.350 1.00 0.00 O ATOM 1751 ND2 ASN B 30 10.223 12.523 17.599 1.00 0.00 N ATOM 0 H ASN B 30 10.755 7.647 18.218 1.00 0.00 H new ATOM 0 HA ASN B 30 12.442 9.982 18.416 1.00 0.00 H new ATOM 0 HB2 ASN B 30 10.239 9.360 16.981 1.00 0.00 H new ATOM 0 HB3 ASN B 30 9.447 10.186 18.308 1.00 0.00 H new ATOM 0 HD21 ASN B 30 10.494 13.427 17.212 1.00 0.00 H new ATOM 0 HD22 ASN B 30 9.489 12.470 18.305 1.00 0.00 H new ATOM 1758 N SER B 31 10.307 9.320 20.835 1.00 0.00 N ATOM 1759 CA SER B 31 9.962 9.688 22.233 1.00 0.00 C ATOM 1760 C SER B 31 11.186 9.446 23.110 1.00 0.00 C ATOM 1761 O SER B 31 11.486 10.215 23.995 1.00 0.00 O ATOM 1762 CB SER B 31 8.799 8.828 22.725 1.00 0.00 C ATOM 1763 OG SER B 31 8.567 9.098 24.102 1.00 0.00 O ATOM 0 H SER B 31 9.835 8.490 20.476 1.00 0.00 H new ATOM 0 HA SER B 31 9.666 10.736 22.280 1.00 0.00 H new ATOM 0 HB2 SER B 31 7.902 9.042 22.144 1.00 0.00 H new ATOM 0 HB3 SER B 31 9.027 7.772 22.583 1.00 0.00 H new ATOM 0 HG SER B 31 7.820 8.549 24.422 1.00 0.00 H new ATOM 1769 N GLN B 32 11.911 8.389 22.856 1.00 0.00 N ATOM 1770 CA GLN B 32 13.130 8.116 23.664 1.00 0.00 C ATOM 1771 C GLN B 32 14.129 9.244 23.412 1.00 0.00 C ATOM 1772 O GLN B 32 14.857 9.656 24.293 1.00 0.00 O ATOM 1773 CB GLN B 32 13.746 6.779 23.240 1.00 0.00 C ATOM 1774 CG GLN B 32 12.991 5.627 23.909 1.00 0.00 C ATOM 1775 CD GLN B 32 13.950 4.834 24.799 1.00 0.00 C ATOM 1776 OE1 GLN B 32 14.883 4.225 24.314 1.00 0.00 O ATOM 1777 NE2 GLN B 32 13.757 4.813 26.089 1.00 0.00 N ATOM 0 H GLN B 32 11.711 7.706 22.125 1.00 0.00 H new ATOM 0 HA GLN B 32 12.876 8.063 24.723 1.00 0.00 H new ATOM 0 HB2 GLN B 32 13.701 6.675 22.156 1.00 0.00 H new ATOM 0 HB3 GLN B 32 14.799 6.748 23.520 1.00 0.00 H new ATOM 0 HG2 GLN B 32 12.165 6.017 24.504 1.00 0.00 H new ATOM 0 HG3 GLN B 32 12.558 4.974 23.151 1.00 0.00 H new ATOM 0 HE21 GLN B 32 12.974 5.324 26.496 1.00 0.00 H new ATOM 0 HE22 GLN B 32 14.389 4.285 26.691 1.00 0.00 H new ATOM 1786 N LEU B 33 14.156 9.755 22.212 1.00 0.00 N ATOM 1787 CA LEU B 33 15.091 10.866 21.896 1.00 0.00 C ATOM 1788 C LEU B 33 14.451 12.186 22.326 1.00 0.00 C ATOM 1789 O LEU B 33 15.108 13.198 22.437 1.00 0.00 O ATOM 1790 CB LEU B 33 15.374 10.889 20.393 1.00 0.00 C ATOM 1791 CG LEU B 33 16.427 9.830 20.059 1.00 0.00 C ATOM 1792 CD1 LEU B 33 16.458 9.596 18.547 1.00 0.00 C ATOM 1793 CD2 LEU B 33 17.801 10.315 20.527 1.00 0.00 C ATOM 0 H LEU B 33 13.569 9.449 21.436 1.00 0.00 H new ATOM 0 HA LEU B 33 16.031 10.723 22.429 1.00 0.00 H new ATOM 0 HB2 LEU B 33 14.457 10.695 19.836 1.00 0.00 H new ATOM 0 HB3 LEU B 33 15.726 11.876 20.093 1.00 0.00 H new ATOM 0 HG LEU B 33 16.176 8.897 20.564 1.00 0.00 H new ATOM 0 HD11 LEU B 33 17.208 8.842 18.311 1.00 0.00 H new ATOM 0 HD12 LEU B 33 15.480 9.252 18.212 1.00 0.00 H new ATOM 0 HD13 LEU B 33 16.708 10.528 18.040 1.00 0.00 H new ATOM 0 HD21 LEU B 33 18.553 9.562 20.290 1.00 0.00 H new ATOM 0 HD22 LEU B 33 18.049 11.248 20.021 1.00 0.00 H new ATOM 0 HD23 LEU B 33 17.781 10.481 21.604 1.00 0.00 H new ATOM 1805 N GLU B 34 13.169 12.178 22.580 1.00 0.00 N ATOM 1806 CA GLU B 34 12.489 13.429 23.017 1.00 0.00 C ATOM 1807 C GLU B 34 12.762 13.646 24.506 1.00 0.00 C ATOM 1808 O GLU B 34 13.023 14.746 24.946 1.00 0.00 O ATOM 1809 CB GLU B 34 10.981 13.300 22.792 1.00 0.00 C ATOM 1810 CG GLU B 34 10.369 14.694 22.637 1.00 0.00 C ATOM 1811 CD GLU B 34 10.549 15.171 21.196 1.00 0.00 C ATOM 1812 OE1 GLU B 34 10.531 14.333 20.308 1.00 0.00 O ATOM 1813 OE2 GLU B 34 10.701 16.367 21.003 1.00 0.00 O ATOM 0 H GLU B 34 12.565 11.359 22.503 1.00 0.00 H new ATOM 0 HA GLU B 34 12.867 14.274 22.441 1.00 0.00 H new ATOM 0 HB2 GLU B 34 10.785 12.704 21.901 1.00 0.00 H new ATOM 0 HB3 GLU B 34 10.520 12.780 23.632 1.00 0.00 H new ATOM 0 HG2 GLU B 34 9.310 14.669 22.894 1.00 0.00 H new ATOM 0 HG3 GLU B 34 10.847 15.391 23.325 1.00 0.00 H new ATOM 1820 N ARG B 35 12.708 12.600 25.282 1.00 0.00 N ATOM 1821 CA ARG B 35 12.967 12.734 26.740 1.00 0.00 C ATOM 1822 C ARG B 35 14.476 12.803 26.974 1.00 0.00 C ATOM 1823 O ARG B 35 14.941 13.418 27.912 1.00 0.00 O ATOM 1824 CB ARG B 35 12.384 11.526 27.477 1.00 0.00 C ATOM 1825 CG ARG B 35 10.859 11.655 27.540 1.00 0.00 C ATOM 1826 CD ARG B 35 10.237 10.275 27.757 1.00 0.00 C ATOM 1827 NE ARG B 35 8.956 10.420 28.503 1.00 0.00 N ATOM 1828 CZ ARG B 35 8.196 9.378 28.705 1.00 0.00 C ATOM 1829 NH1 ARG B 35 8.162 8.414 27.824 1.00 0.00 N ATOM 1830 NH2 ARG B 35 7.468 9.298 29.785 1.00 0.00 N ATOM 0 H ARG B 35 12.494 11.654 24.966 1.00 0.00 H new ATOM 0 HA ARG B 35 12.497 13.642 27.117 1.00 0.00 H new ATOM 0 HB2 ARG B 35 12.661 10.605 26.964 1.00 0.00 H new ATOM 0 HB3 ARG B 35 12.797 11.467 28.484 1.00 0.00 H new ATOM 0 HG2 ARG B 35 10.574 12.325 28.351 1.00 0.00 H new ATOM 0 HG3 ARG B 35 10.482 12.094 26.616 1.00 0.00 H new ATOM 0 HD2 ARG B 35 10.059 9.790 26.797 1.00 0.00 H new ATOM 0 HD3 ARG B 35 10.924 9.638 28.314 1.00 0.00 H new ATOM 0 HE ARG B 35 8.672 11.334 28.856 1.00 0.00 H new ATOM 0 HH11 ARG B 35 8.729 8.476 26.979 1.00 0.00 H new ATOM 0 HH12 ARG B 35 7.568 7.600 27.982 1.00 0.00 H new ATOM 0 HH21 ARG B 35 7.492 10.050 30.473 1.00 0.00 H new ATOM 0 HH22 ARG B 35 6.875 8.483 29.941 1.00 0.00 H new ATOM 1844 N GLU B 36 15.247 12.187 26.121 1.00 0.00 N ATOM 1845 CA GLU B 36 16.725 12.231 26.291 1.00 0.00 C ATOM 1846 C GLU B 36 17.243 13.565 25.751 1.00 0.00 C ATOM 1847 O GLU B 36 18.158 14.155 26.290 1.00 0.00 O ATOM 1848 CB GLU B 36 17.370 11.082 25.515 1.00 0.00 C ATOM 1849 CG GLU B 36 18.834 10.943 25.939 1.00 0.00 C ATOM 1850 CD GLU B 36 18.985 9.735 26.864 1.00 0.00 C ATOM 1851 OE1 GLU B 36 18.162 9.587 27.752 1.00 0.00 O ATOM 1852 OE2 GLU B 36 19.922 8.978 26.670 1.00 0.00 O ATOM 0 H GLU B 36 14.917 11.656 25.315 1.00 0.00 H new ATOM 0 HA GLU B 36 16.977 12.132 27.347 1.00 0.00 H new ATOM 0 HB2 GLU B 36 16.834 10.152 25.707 1.00 0.00 H new ATOM 0 HB3 GLU B 36 17.306 11.271 24.443 1.00 0.00 H new ATOM 0 HG2 GLU B 36 19.468 10.823 25.061 1.00 0.00 H new ATOM 0 HG3 GLU B 36 19.163 11.848 26.449 1.00 0.00 H new ATOM 1859 N ASN B 37 16.655 14.045 24.693 1.00 0.00 N ATOM 1860 CA ASN B 37 17.095 15.343 24.110 1.00 0.00 C ATOM 1861 C ASN B 37 16.565 16.484 24.977 1.00 0.00 C ATOM 1862 O ASN B 37 17.199 17.507 25.124 1.00 0.00 O ATOM 1863 CB ASN B 37 16.545 15.481 22.690 1.00 0.00 C ATOM 1864 CG ASN B 37 16.846 16.882 22.160 1.00 0.00 C ATOM 1865 OD1 ASN B 37 17.839 17.481 22.523 1.00 0.00 O ATOM 1866 ND2 ASN B 37 16.023 17.436 21.313 1.00 0.00 N ATOM 0 H ASN B 37 15.884 13.592 24.203 1.00 0.00 H new ATOM 0 HA ASN B 37 18.184 15.380 24.077 1.00 0.00 H new ATOM 0 HB2 ASN B 37 16.995 14.730 22.040 1.00 0.00 H new ATOM 0 HB3 ASN B 37 15.470 15.303 22.686 1.00 0.00 H new ATOM 0 HD21 ASN B 37 16.213 18.372 20.955 1.00 0.00 H new ATOM 0 HD22 ASN B 37 15.190 16.933 21.008 1.00 0.00 H new ATOM 1873 N THR B 38 15.410 16.311 25.557 1.00 0.00 N ATOM 1874 CA THR B 38 14.848 17.384 26.421 1.00 0.00 C ATOM 1875 C THR B 38 15.636 17.426 27.730 1.00 0.00 C ATOM 1876 O THR B 38 15.868 18.477 28.292 1.00 0.00 O ATOM 1877 CB THR B 38 13.376 17.087 26.717 1.00 0.00 C ATOM 1878 OG1 THR B 38 12.653 17.027 25.496 1.00 0.00 O ATOM 1879 CG2 THR B 38 12.798 18.195 27.599 1.00 0.00 C ATOM 0 H THR B 38 14.833 15.475 25.470 1.00 0.00 H new ATOM 0 HA THR B 38 14.922 18.345 25.913 1.00 0.00 H new ATOM 0 HB THR B 38 13.294 16.132 27.236 1.00 0.00 H new ATOM 0 HG1 THR B 38 12.710 16.121 25.126 1.00 0.00 H new ATOM 0 HG21 THR B 38 11.750 17.983 27.809 1.00 0.00 H new ATOM 0 HG22 THR B 38 13.354 18.242 28.535 1.00 0.00 H new ATOM 0 HG23 THR B 38 12.878 19.151 27.081 1.00 0.00 H new ATOM 1887 N LEU B 39 16.055 16.289 28.217 1.00 0.00 N ATOM 1888 CA LEU B 39 16.832 16.267 29.486 1.00 0.00 C ATOM 1889 C LEU B 39 18.253 16.761 29.216 1.00 0.00 C ATOM 1890 O LEU B 39 18.849 17.435 30.029 1.00 0.00 O ATOM 1891 CB LEU B 39 16.879 14.840 30.037 1.00 0.00 C ATOM 1892 CG LEU B 39 16.953 14.887 31.563 1.00 0.00 C ATOM 1893 CD1 LEU B 39 15.544 15.036 32.142 1.00 0.00 C ATOM 1894 CD2 LEU B 39 17.582 13.591 32.081 1.00 0.00 C ATOM 0 H LEU B 39 15.892 15.377 27.791 1.00 0.00 H new ATOM 0 HA LEU B 39 16.353 16.917 30.218 1.00 0.00 H new ATOM 0 HB2 LEU B 39 15.994 14.287 29.722 1.00 0.00 H new ATOM 0 HB3 LEU B 39 17.744 14.312 29.636 1.00 0.00 H new ATOM 0 HG LEU B 39 17.562 15.738 31.870 1.00 0.00 H new ATOM 0 HD11 LEU B 39 15.599 15.069 33.230 1.00 0.00 H new ATOM 0 HD12 LEU B 39 15.095 15.958 31.773 1.00 0.00 H new ATOM 0 HD13 LEU B 39 14.933 14.187 31.836 1.00 0.00 H new ATOM 0 HD21 LEU B 39 17.636 13.622 33.169 1.00 0.00 H new ATOM 0 HD22 LEU B 39 16.972 12.742 31.772 1.00 0.00 H new ATOM 0 HD23 LEU B 39 18.586 13.485 31.671 1.00 0.00 H new ATOM 1906 N LEU B 40 18.801 16.442 28.075 1.00 0.00 N ATOM 1907 CA LEU B 40 20.179 16.909 27.762 1.00 0.00 C ATOM 1908 C LEU B 40 20.112 18.364 27.299 1.00 0.00 C ATOM 1909 O LEU B 40 21.072 19.100 27.383 1.00 0.00 O ATOM 1910 CB LEU B 40 20.782 16.039 26.655 1.00 0.00 C ATOM 1911 CG LEU B 40 21.510 14.850 27.288 1.00 0.00 C ATOM 1912 CD1 LEU B 40 21.890 13.842 26.202 1.00 0.00 C ATOM 1913 CD2 LEU B 40 22.778 15.345 27.987 1.00 0.00 C ATOM 0 H LEU B 40 18.355 15.880 27.350 1.00 0.00 H new ATOM 0 HA LEU B 40 20.806 16.833 28.650 1.00 0.00 H new ATOM 0 HB2 LEU B 40 19.997 15.686 25.986 1.00 0.00 H new ATOM 0 HB3 LEU B 40 21.475 16.626 26.052 1.00 0.00 H new ATOM 0 HG LEU B 40 20.854 14.369 28.014 1.00 0.00 H new ATOM 0 HD11 LEU B 40 22.408 12.997 26.655 1.00 0.00 H new ATOM 0 HD12 LEU B 40 20.988 13.489 25.702 1.00 0.00 H new ATOM 0 HD13 LEU B 40 22.545 14.321 25.474 1.00 0.00 H new ATOM 0 HD21 LEU B 40 23.298 14.500 28.438 1.00 0.00 H new ATOM 0 HD22 LEU B 40 23.431 15.826 27.259 1.00 0.00 H new ATOM 0 HD23 LEU B 40 22.510 16.062 28.763 1.00 0.00 H new ATOM 1925 N LYS B 41 18.971 18.786 26.829 1.00 0.00 N ATOM 1926 CA LYS B 41 18.826 20.195 26.376 1.00 0.00 C ATOM 1927 C LYS B 41 18.576 21.075 27.598 1.00 0.00 C ATOM 1928 O LYS B 41 18.984 22.216 27.652 1.00 0.00 O ATOM 1929 CB LYS B 41 17.644 20.307 25.411 1.00 0.00 C ATOM 1930 CG LYS B 41 17.394 21.779 25.079 1.00 0.00 C ATOM 1931 CD LYS B 41 17.835 22.062 23.642 1.00 0.00 C ATOM 1932 CE LYS B 41 17.102 23.298 23.118 1.00 0.00 C ATOM 1933 NZ LYS B 41 17.905 23.930 22.033 1.00 0.00 N ATOM 0 H LYS B 41 18.132 18.213 26.739 1.00 0.00 H new ATOM 0 HA LYS B 41 19.732 20.517 25.863 1.00 0.00 H new ATOM 0 HB2 LYS B 41 17.851 19.748 24.499 1.00 0.00 H new ATOM 0 HB3 LYS B 41 16.753 19.868 25.859 1.00 0.00 H new ATOM 0 HG2 LYS B 41 16.337 22.015 25.199 1.00 0.00 H new ATOM 0 HG3 LYS B 41 17.943 22.417 25.771 1.00 0.00 H new ATOM 0 HD2 LYS B 41 18.913 22.222 23.606 1.00 0.00 H new ATOM 0 HD3 LYS B 41 17.619 21.202 23.008 1.00 0.00 H new ATOM 0 HE2 LYS B 41 16.118 23.018 22.741 1.00 0.00 H new ATOM 0 HE3 LYS B 41 16.942 24.010 23.928 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 17.407 24.770 21.677 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 18.834 24.211 22.407 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 18.036 23.250 21.257 1.00 0.00 H new ATOM 1947 N THR B 42 17.915 20.541 28.590 1.00 0.00 N ATOM 1948 CA THR B 42 17.646 21.335 29.820 1.00 0.00 C ATOM 1949 C THR B 42 18.881 21.292 30.719 1.00 0.00 C ATOM 1950 O THR B 42 19.198 22.246 31.402 1.00 0.00 O ATOM 1951 CB THR B 42 16.448 20.739 30.566 1.00 0.00 C ATOM 1952 OG1 THR B 42 15.277 20.879 29.772 1.00 0.00 O ATOM 1953 CG2 THR B 42 16.258 21.474 31.895 1.00 0.00 C ATOM 0 H THR B 42 17.550 19.589 28.600 1.00 0.00 H new ATOM 0 HA THR B 42 17.421 22.367 29.550 1.00 0.00 H new ATOM 0 HB THR B 42 16.629 19.682 30.760 1.00 0.00 H new ATOM 0 HG1 THR B 42 15.225 20.139 29.132 1.00 0.00 H new ATOM 0 HG21 THR B 42 15.406 21.051 32.426 1.00 0.00 H new ATOM 0 HG22 THR B 42 17.156 21.364 32.503 1.00 0.00 H new ATOM 0 HG23 THR B 42 16.077 22.532 31.703 1.00 0.00 H new ATOM 1961 N LEU B 43 19.587 20.195 30.720 1.00 0.00 N ATOM 1962 CA LEU B 43 20.806 20.098 31.568 1.00 0.00 C ATOM 1963 C LEU B 43 21.933 20.892 30.910 1.00 0.00 C ATOM 1964 O LEU B 43 22.681 21.587 31.566 1.00 0.00 O ATOM 1965 CB LEU B 43 21.219 18.632 31.715 1.00 0.00 C ATOM 1966 CG LEU B 43 21.164 18.239 33.192 1.00 0.00 C ATOM 1967 CD1 LEU B 43 19.720 17.922 33.581 1.00 0.00 C ATOM 1968 CD2 LEU B 43 22.037 17.004 33.426 1.00 0.00 C ATOM 0 H LEU B 43 19.372 19.363 30.171 1.00 0.00 H new ATOM 0 HA LEU B 43 20.600 20.506 32.557 1.00 0.00 H new ATOM 0 HB2 LEU B 43 20.554 17.994 31.132 1.00 0.00 H new ATOM 0 HB3 LEU B 43 22.226 18.485 31.325 1.00 0.00 H new ATOM 0 HG LEU B 43 21.533 19.065 33.801 1.00 0.00 H new ATOM 0 HD11 LEU B 43 19.680 17.642 34.634 1.00 0.00 H new ATOM 0 HD12 LEU B 43 19.097 18.801 33.416 1.00 0.00 H new ATOM 0 HD13 LEU B 43 19.352 17.097 32.972 1.00 0.00 H new ATOM 0 HD21 LEU B 43 21.997 16.725 34.479 1.00 0.00 H new ATOM 0 HD22 LEU B 43 21.669 16.178 32.817 1.00 0.00 H new ATOM 0 HD23 LEU B 43 23.067 17.229 33.149 1.00 0.00 H new ATOM 1980 N ALA B 44 22.053 20.807 29.612 1.00 0.00 N ATOM 1981 CA ALA B 44 23.122 21.574 28.915 1.00 0.00 C ATOM 1982 C ALA B 44 22.731 23.051 28.896 1.00 0.00 C ATOM 1983 O ALA B 44 23.553 23.928 29.074 1.00 0.00 O ATOM 1984 CB ALA B 44 23.272 21.064 27.480 1.00 0.00 C ATOM 0 H ALA B 44 21.458 20.241 29.007 1.00 0.00 H new ATOM 0 HA ALA B 44 24.070 21.446 29.437 1.00 0.00 H new ATOM 0 HB1 ALA B 44 24.055 21.628 26.973 1.00 0.00 H new ATOM 0 HB2 ALA B 44 23.538 20.007 27.495 1.00 0.00 H new ATOM 0 HB3 ALA B 44 22.330 21.193 26.948 1.00 0.00 H new ATOM 1990 N SER B 45 21.473 23.329 28.689 1.00 0.00 N ATOM 1991 CA SER B 45 21.008 24.742 28.669 1.00 0.00 C ATOM 1992 C SER B 45 19.709 24.849 29.475 1.00 0.00 C ATOM 1993 O SER B 45 18.631 24.856 28.915 1.00 0.00 O ATOM 1994 CB SER B 45 20.755 25.179 27.225 1.00 0.00 C ATOM 1995 OG SER B 45 21.212 24.165 26.340 1.00 0.00 O ATOM 0 H SER B 45 20.744 22.633 28.532 1.00 0.00 H new ATOM 0 HA SER B 45 21.769 25.387 29.108 1.00 0.00 H new ATOM 0 HB2 SER B 45 19.692 25.361 27.069 1.00 0.00 H new ATOM 0 HB3 SER B 45 21.273 26.116 27.021 1.00 0.00 H new ATOM 0 HG SER B 45 21.050 24.442 25.414 1.00 0.00 H new ATOM 2001 N PRO B 46 19.856 24.914 30.774 1.00 0.00 N ATOM 2002 CA PRO B 46 18.715 25.006 31.701 1.00 0.00 C ATOM 2003 C PRO B 46 18.176 26.437 31.766 1.00 0.00 C ATOM 2004 O PRO B 46 17.010 26.682 31.528 1.00 0.00 O ATOM 2005 CB PRO B 46 19.315 24.593 33.048 1.00 0.00 C ATOM 2006 CG PRO B 46 20.838 24.846 32.944 1.00 0.00 C ATOM 2007 CD PRO B 46 21.175 24.899 31.441 1.00 0.00 C ATOM 0 HA PRO B 46 17.873 24.383 31.398 1.00 0.00 H new ATOM 0 HB2 PRO B 46 18.880 25.173 33.861 1.00 0.00 H new ATOM 0 HB3 PRO B 46 19.109 23.544 33.259 1.00 0.00 H new ATOM 0 HG2 PRO B 46 21.110 25.780 33.435 1.00 0.00 H new ATOM 0 HG3 PRO B 46 21.397 24.052 33.439 1.00 0.00 H new ATOM 0 HD2 PRO B 46 21.756 25.788 31.194 1.00 0.00 H new ATOM 0 HD3 PRO B 46 21.766 24.036 31.135 1.00 0.00 H new