USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=11 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.0118 F(o=-0.64,f=-0.012) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.959 F(o=-3,f=-0.96) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0985 X(o=-0.098,f=0) USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 38 THR OG1 : rot 110:sc= 1.07 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 88:sc= 1.06 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= -0.464 K(o=-0.46,f=-3.6!) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 ASN : amide:sc= -0.306 X(o=-0.31,f=0) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 32 GLN : amide:sc= -0.421 K(o=-0.42,f=-3.3!) USER MOD Single : B 37 ASN : amide:sc= -1.26 K(o=-1.3,f=-6.3!) USER MOD Single : B 38 THR OG1 : rot 86:sc= 0.706 USER MOD Single : B 41 LYS NZ :NH3+ 159:sc= -0.0231 (180deg=-0.636) USER MOD Single : B 42 THR OG1 : rot 94:sc= 0.959 USER MOD Single : B 45 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 261 N VAL A 16 -1.024 4.003 2.381 1.00 0.00 N ATOM 262 CA VAL A 16 -1.543 5.349 2.764 1.00 0.00 C ATOM 263 C VAL A 16 -0.442 6.396 2.570 1.00 0.00 C ATOM 264 O VAL A 16 0.631 6.293 3.126 1.00 0.00 O ATOM 265 CB VAL A 16 -1.991 5.347 4.234 1.00 0.00 C ATOM 266 CG1 VAL A 16 -3.341 6.057 4.354 1.00 0.00 C ATOM 267 CG2 VAL A 16 -2.135 3.908 4.744 1.00 0.00 C ATOM 0 HA VAL A 16 -2.397 5.591 2.132 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.241 5.865 4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.661 6.057 5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.244 7.085 4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.081 5.536 3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.453 3.922 5.787 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.878 3.382 4.145 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.176 3.396 4.664 1.00 0.00 H new ATOM 277 N GLU A 17 -0.707 7.404 1.783 1.00 0.00 N ATOM 278 CA GLU A 17 0.317 8.462 1.550 1.00 0.00 C ATOM 279 C GLU A 17 0.560 9.227 2.852 1.00 0.00 C ATOM 280 O GLU A 17 1.638 9.730 3.100 1.00 0.00 O ATOM 281 CB GLU A 17 -0.189 9.431 0.480 1.00 0.00 C ATOM 282 CG GLU A 17 -1.618 9.861 0.819 1.00 0.00 C ATOM 283 CD GLU A 17 -2.538 9.558 -0.365 1.00 0.00 C ATOM 284 OE1 GLU A 17 -2.374 10.193 -1.394 1.00 0.00 O ATOM 285 OE2 GLU A 17 -3.389 8.696 -0.222 1.00 0.00 O ATOM 0 H GLU A 17 -1.590 7.540 1.291 1.00 0.00 H new ATOM 0 HA GLU A 17 1.247 8.003 1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.462 10.304 0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.164 8.954 -0.500 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.966 9.334 1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.643 10.926 1.049 1.00 0.00 H new ATOM 292 N ILE A 18 -0.439 9.322 3.684 1.00 0.00 N ATOM 293 CA ILE A 18 -0.269 10.054 4.968 1.00 0.00 C ATOM 294 C ILE A 18 0.601 9.227 5.915 1.00 0.00 C ATOM 295 O ILE A 18 1.449 9.752 6.605 1.00 0.00 O ATOM 296 CB ILE A 18 -1.640 10.288 5.604 1.00 0.00 C ATOM 297 CG1 ILE A 18 -1.470 11.084 6.899 1.00 0.00 C ATOM 298 CG2 ILE A 18 -2.296 8.942 5.917 1.00 0.00 C ATOM 299 CD1 ILE A 18 -1.526 12.580 6.590 1.00 0.00 C ATOM 0 H ILE A 18 -1.365 8.924 3.530 1.00 0.00 H new ATOM 0 HA ILE A 18 0.213 11.014 4.780 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.270 10.846 4.912 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.255 10.819 7.607 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.519 10.834 7.369 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.273 9.110 6.370 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.417 8.373 4.995 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.666 8.383 6.609 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.405 13.147 7.513 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.725 12.839 5.897 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.488 12.823 6.139 1.00 0.00 H new ATOM 311 N LEU A 19 0.399 7.936 5.956 1.00 0.00 N ATOM 312 CA LEU A 19 1.220 7.088 6.865 1.00 0.00 C ATOM 313 C LEU A 19 2.642 6.972 6.315 1.00 0.00 C ATOM 314 O LEU A 19 3.591 6.871 7.060 1.00 0.00 O ATOM 315 CB LEU A 19 0.601 5.695 6.987 1.00 0.00 C ATOM 316 CG LEU A 19 0.190 5.447 8.438 1.00 0.00 C ATOM 317 CD1 LEU A 19 -1.078 4.593 8.468 1.00 0.00 C ATOM 318 CD2 LEU A 19 1.316 4.712 9.168 1.00 0.00 C ATOM 0 H LEU A 19 -0.296 7.436 5.402 1.00 0.00 H new ATOM 0 HA LEU A 19 1.249 7.551 7.851 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.267 5.612 6.333 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.316 4.938 6.666 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.001 6.401 8.930 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.373 4.415 9.502 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.881 5.115 7.947 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.886 3.639 7.976 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.024 4.535 10.203 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.507 3.758 8.676 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.221 5.319 9.146 1.00 0.00 H new ATOM 330 N LYS A 20 2.803 6.997 5.019 1.00 0.00 N ATOM 331 CA LYS A 20 4.176 6.903 4.451 1.00 0.00 C ATOM 332 C LYS A 20 4.882 8.235 4.691 1.00 0.00 C ATOM 333 O LYS A 20 6.061 8.284 4.973 1.00 0.00 O ATOM 334 CB LYS A 20 4.111 6.602 2.947 1.00 0.00 C ATOM 335 CG LYS A 20 3.720 7.865 2.174 1.00 0.00 C ATOM 336 CD LYS A 20 3.920 7.633 0.674 1.00 0.00 C ATOM 337 CE LYS A 20 5.086 8.491 0.175 1.00 0.00 C ATOM 338 NZ LYS A 20 4.693 9.184 -1.085 1.00 0.00 N ATOM 0 H LYS A 20 2.050 7.078 4.336 1.00 0.00 H new ATOM 0 HA LYS A 20 4.725 6.094 4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.078 6.238 2.599 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.385 5.811 2.758 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.680 8.120 2.377 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.326 8.708 2.506 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.122 6.579 0.482 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.009 7.887 0.131 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.363 9.223 0.934 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.962 7.866 0.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.486 9.766 -1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.450 8.478 -1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.869 9.792 -0.904 1.00 0.00 H new ATOM 352 N GLU A 21 4.157 9.317 4.603 1.00 0.00 N ATOM 353 CA GLU A 21 4.774 10.647 4.849 1.00 0.00 C ATOM 354 C GLU A 21 4.969 10.810 6.353 1.00 0.00 C ATOM 355 O GLU A 21 5.826 11.536 6.801 1.00 0.00 O ATOM 356 CB GLU A 21 3.857 11.752 4.322 1.00 0.00 C ATOM 357 CG GLU A 21 4.265 12.111 2.891 1.00 0.00 C ATOM 358 CD GLU A 21 4.408 13.628 2.763 1.00 0.00 C ATOM 359 OE1 GLU A 21 3.680 14.331 3.444 1.00 0.00 O ATOM 360 OE2 GLU A 21 5.244 14.061 1.987 1.00 0.00 O ATOM 0 H GLU A 21 3.164 9.335 4.371 1.00 0.00 H new ATOM 0 HA GLU A 21 5.732 10.718 4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.819 11.420 4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.924 12.631 4.962 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.207 11.624 2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.518 11.745 2.187 1.00 0.00 H new ATOM 367 N GLN A 22 4.182 10.118 7.132 1.00 0.00 N ATOM 368 CA GLN A 22 4.324 10.207 8.609 1.00 0.00 C ATOM 369 C GLN A 22 5.502 9.331 9.029 1.00 0.00 C ATOM 370 O GLN A 22 6.194 9.614 9.985 1.00 0.00 O ATOM 371 CB GLN A 22 3.045 9.700 9.277 1.00 0.00 C ATOM 372 CG GLN A 22 2.290 10.876 9.899 1.00 0.00 C ATOM 373 CD GLN A 22 1.476 10.381 11.095 1.00 0.00 C ATOM 374 OE1 GLN A 22 1.064 9.143 11.120 1.00 0.00 O flip ATOM 375 NE2 GLN A 22 1.213 11.128 12.017 1.00 0.00 N flip ATOM 0 H GLN A 22 3.445 9.493 6.805 1.00 0.00 H new ATOM 0 HA GLN A 22 4.496 11.240 8.911 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.415 9.197 8.544 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.290 8.965 10.044 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.993 11.646 10.217 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.631 11.331 9.160 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.535 12.096 11.997 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.670 10.787 12.811 1.00 0.00 H new ATOM 384 N ILE A 23 5.743 8.276 8.299 1.00 0.00 N ATOM 385 CA ILE A 23 6.885 7.384 8.627 1.00 0.00 C ATOM 386 C ILE A 23 8.163 8.059 8.140 1.00 0.00 C ATOM 387 O ILE A 23 9.203 7.958 8.755 1.00 0.00 O ATOM 388 CB ILE A 23 6.699 6.033 7.927 1.00 0.00 C ATOM 389 CG1 ILE A 23 5.703 5.190 8.726 1.00 0.00 C ATOM 390 CG2 ILE A 23 8.037 5.293 7.847 1.00 0.00 C ATOM 391 CD1 ILE A 23 6.268 4.925 10.122 1.00 0.00 C ATOM 0 H ILE A 23 5.194 7.995 7.487 1.00 0.00 H new ATOM 0 HA ILE A 23 6.941 7.210 9.702 1.00 0.00 H new ATOM 0 HB ILE A 23 6.324 6.200 6.917 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.748 5.709 8.801 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.514 4.247 8.213 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.893 4.335 7.348 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.751 5.893 7.283 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.420 5.124 8.853 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.560 4.325 10.693 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.213 4.388 10.036 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.435 5.873 10.633 1.00 0.00 H new ATOM 403 N ARG A 24 8.082 8.771 7.050 1.00 0.00 N ATOM 404 CA ARG A 24 9.282 9.482 6.538 1.00 0.00 C ATOM 405 C ARG A 24 9.513 10.705 7.418 1.00 0.00 C ATOM 406 O ARG A 24 10.630 11.108 7.666 1.00 0.00 O ATOM 407 CB ARG A 24 9.051 9.929 5.092 1.00 0.00 C ATOM 408 CG ARG A 24 10.199 10.842 4.656 1.00 0.00 C ATOM 409 CD ARG A 24 9.860 11.495 3.316 1.00 0.00 C ATOM 410 NE ARG A 24 11.022 12.309 2.857 1.00 0.00 N ATOM 411 CZ ARG A 24 12.092 11.719 2.397 1.00 0.00 C ATOM 412 NH1 ARG A 24 12.012 10.936 1.358 1.00 0.00 N ATOM 413 NH2 ARG A 24 13.245 11.918 2.975 1.00 0.00 N ATOM 0 H ARG A 24 7.236 8.890 6.493 1.00 0.00 H new ATOM 0 HA ARG A 24 10.148 8.821 6.562 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.992 9.061 4.436 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.100 10.456 5.009 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.373 11.609 5.411 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.120 10.266 4.568 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.621 10.731 2.576 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.977 12.126 3.419 1.00 0.00 H new ATOM 0 HE ARG A 24 10.981 13.327 2.902 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.112 10.783 0.903 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.849 10.476 1.000 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.310 12.534 3.785 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.081 11.457 2.616 1.00 0.00 H new ATOM 427 N GLU A 25 8.451 11.285 7.910 1.00 0.00 N ATOM 428 CA GLU A 25 8.588 12.469 8.798 1.00 0.00 C ATOM 429 C GLU A 25 9.000 11.975 10.179 1.00 0.00 C ATOM 430 O GLU A 25 9.616 12.683 10.944 1.00 0.00 O ATOM 431 CB GLU A 25 7.250 13.205 8.896 1.00 0.00 C ATOM 432 CG GLU A 25 7.339 14.539 8.150 1.00 0.00 C ATOM 433 CD GLU A 25 6.395 15.551 8.802 1.00 0.00 C ATOM 434 OE1 GLU A 25 5.232 15.567 8.435 1.00 0.00 O ATOM 435 OE2 GLU A 25 6.851 16.292 9.657 1.00 0.00 O ATOM 0 H GLU A 25 7.492 10.986 7.733 1.00 0.00 H new ATOM 0 HA GLU A 25 9.334 13.155 8.398 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.455 12.592 8.471 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.995 13.378 9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.363 14.913 8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.073 14.400 7.102 1.00 0.00 H new ATOM 442 N LEU A 26 8.674 10.751 10.492 1.00 0.00 N ATOM 443 CA LEU A 26 9.060 10.191 11.812 1.00 0.00 C ATOM 444 C LEU A 26 10.539 9.820 11.756 1.00 0.00 C ATOM 445 O LEU A 26 11.268 9.992 12.708 1.00 0.00 O ATOM 446 CB LEU A 26 8.229 8.939 12.105 1.00 0.00 C ATOM 447 CG LEU A 26 6.985 9.327 12.903 1.00 0.00 C ATOM 448 CD1 LEU A 26 6.085 8.102 13.077 1.00 0.00 C ATOM 449 CD2 LEU A 26 7.406 9.848 14.280 1.00 0.00 C ATOM 0 H LEU A 26 8.155 10.115 9.886 1.00 0.00 H new ATOM 0 HA LEU A 26 8.881 10.924 12.599 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.939 8.456 11.172 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.824 8.218 12.666 1.00 0.00 H new ATOM 0 HG LEU A 26 6.440 10.105 12.369 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.198 8.380 13.646 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.785 7.729 12.098 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.630 7.323 13.611 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.520 10.125 14.851 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.951 9.069 14.813 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.047 10.721 14.158 1.00 0.00 H new ATOM 461 N VAL A 27 10.987 9.330 10.631 1.00 0.00 N ATOM 462 CA VAL A 27 12.422 8.963 10.492 1.00 0.00 C ATOM 463 C VAL A 27 13.230 10.239 10.270 1.00 0.00 C ATOM 464 O VAL A 27 14.390 10.320 10.613 1.00 0.00 O ATOM 465 CB VAL A 27 12.602 8.027 9.293 1.00 0.00 C ATOM 466 CG1 VAL A 27 14.090 7.721 9.104 1.00 0.00 C ATOM 467 CG2 VAL A 27 11.844 6.722 9.548 1.00 0.00 C ATOM 0 H VAL A 27 10.417 9.168 9.801 1.00 0.00 H new ATOM 0 HA VAL A 27 12.765 8.454 11.393 1.00 0.00 H new ATOM 0 HB VAL A 27 12.212 8.507 8.395 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.219 7.055 8.251 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.632 8.649 8.925 1.00 0.00 H new ATOM 0 HG13 VAL A 27 14.480 7.241 10.002 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.971 6.055 8.695 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.236 6.243 10.445 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.784 6.938 9.685 1.00 0.00 H new ATOM 477 N GLU A 28 12.614 11.243 9.710 1.00 0.00 N ATOM 478 CA GLU A 28 13.335 12.523 9.481 1.00 0.00 C ATOM 479 C GLU A 28 13.394 13.285 10.802 1.00 0.00 C ATOM 480 O GLU A 28 14.365 13.945 11.110 1.00 0.00 O ATOM 481 CB GLU A 28 12.585 13.354 8.437 1.00 0.00 C ATOM 482 CG GLU A 28 13.345 13.313 7.110 1.00 0.00 C ATOM 483 CD GLU A 28 14.059 14.648 6.889 1.00 0.00 C ATOM 484 OE1 GLU A 28 14.084 15.444 7.813 1.00 0.00 O ATOM 485 OE2 GLU A 28 14.571 14.850 5.799 1.00 0.00 O ATOM 0 H GLU A 28 11.642 11.231 9.401 1.00 0.00 H new ATOM 0 HA GLU A 28 14.344 12.328 9.117 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.576 12.964 8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.486 14.384 8.780 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.069 12.498 7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.655 13.117 6.289 1.00 0.00 H new ATOM 492 N LYS A 29 12.366 13.174 11.597 1.00 0.00 N ATOM 493 CA LYS A 29 12.361 13.868 12.912 1.00 0.00 C ATOM 494 C LYS A 29 13.214 13.056 13.880 1.00 0.00 C ATOM 495 O LYS A 29 13.800 13.586 14.795 1.00 0.00 O ATOM 496 CB LYS A 29 10.931 13.973 13.447 1.00 0.00 C ATOM 497 CG LYS A 29 10.578 15.446 13.666 1.00 0.00 C ATOM 498 CD LYS A 29 9.079 15.579 13.949 1.00 0.00 C ATOM 499 CE LYS A 29 8.838 15.522 15.457 1.00 0.00 C ATOM 500 NZ LYS A 29 9.005 16.884 16.040 1.00 0.00 N ATOM 0 H LYS A 29 11.528 12.631 11.391 1.00 0.00 H new ATOM 0 HA LYS A 29 12.763 14.875 12.804 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.233 13.521 12.742 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.840 13.422 14.383 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.153 15.848 14.500 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.845 16.029 12.785 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.704 16.519 13.545 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.532 14.778 13.452 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.835 15.148 15.662 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.538 14.828 15.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.841 16.845 17.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.970 17.224 15.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.320 17.534 15.605 1.00 0.00 H new ATOM 514 N ASN A 30 13.300 11.771 13.668 1.00 0.00 N ATOM 515 CA ASN A 30 14.137 10.923 14.559 1.00 0.00 C ATOM 516 C ASN A 30 15.601 11.165 14.206 1.00 0.00 C ATOM 517 O ASN A 30 16.459 11.213 15.061 1.00 0.00 O ATOM 518 CB ASN A 30 13.804 9.446 14.339 1.00 0.00 C ATOM 519 CG ASN A 30 13.810 8.713 15.679 1.00 0.00 C ATOM 520 OD1 ASN A 30 12.685 8.275 16.171 1.00 0.00 O flip ATOM 521 ND2 ASN A 30 14.848 8.538 16.285 1.00 0.00 N flip ATOM 0 H ASN A 30 12.826 11.273 12.915 1.00 0.00 H new ATOM 0 HA ASN A 30 13.945 11.176 15.602 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.827 9.350 13.865 1.00 0.00 H new ATOM 0 HB3 ASN A 30 14.532 8.996 13.664 1.00 0.00 H new ATOM 0 HD21 ASN A 30 15.728 8.881 15.899 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.840 8.048 17.180 1.00 0.00 H new ATOM 528 N SER A 31 15.884 11.330 12.943 1.00 0.00 N ATOM 529 CA SER A 31 17.285 11.584 12.519 1.00 0.00 C ATOM 530 C SER A 31 17.654 13.017 12.896 1.00 0.00 C ATOM 531 O SER A 31 18.784 13.314 13.227 1.00 0.00 O ATOM 532 CB SER A 31 17.402 11.406 11.005 1.00 0.00 C ATOM 533 OG SER A 31 18.742 11.069 10.673 1.00 0.00 O ATOM 0 H SER A 31 15.201 11.299 12.186 1.00 0.00 H new ATOM 0 HA SER A 31 17.958 10.883 13.012 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.724 10.623 10.666 1.00 0.00 H new ATOM 0 HB3 SER A 31 17.109 12.324 10.496 1.00 0.00 H new ATOM 0 HG SER A 31 18.819 10.953 9.703 1.00 0.00 H new ATOM 539 N GLN A 32 16.698 13.907 12.861 1.00 0.00 N ATOM 540 CA GLN A 32 16.976 15.320 13.230 1.00 0.00 C ATOM 541 C GLN A 32 17.106 15.415 14.749 1.00 0.00 C ATOM 542 O GLN A 32 17.873 16.197 15.272 1.00 0.00 O ATOM 543 CB GLN A 32 15.820 16.208 12.760 1.00 0.00 C ATOM 544 CG GLN A 32 16.282 17.665 12.701 1.00 0.00 C ATOM 545 CD GLN A 32 15.160 18.578 13.198 1.00 0.00 C ATOM 546 OE1 GLN A 32 14.674 19.416 12.464 1.00 0.00 O ATOM 547 NE2 GLN A 32 14.724 18.449 14.421 1.00 0.00 N ATOM 0 H GLN A 32 15.734 13.712 12.591 1.00 0.00 H new ATOM 0 HA GLN A 32 17.900 15.653 12.756 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.477 15.885 11.777 1.00 0.00 H new ATOM 0 HB3 GLN A 32 14.974 16.112 13.441 1.00 0.00 H new ATOM 0 HG2 GLN A 32 17.173 17.800 13.314 1.00 0.00 H new ATOM 0 HG3 GLN A 32 16.555 17.930 11.679 1.00 0.00 H new ATOM 0 HE21 GLN A 32 15.132 17.746 15.036 1.00 0.00 H new ATOM 0 HE22 GLN A 32 13.975 19.052 14.762 1.00 0.00 H new ATOM 556 N LEU A 33 16.368 14.608 15.460 1.00 0.00 N ATOM 557 CA LEU A 33 16.450 14.631 16.946 1.00 0.00 C ATOM 558 C LEU A 33 17.640 13.779 17.372 1.00 0.00 C ATOM 559 O LEU A 33 18.174 13.931 18.449 1.00 0.00 O ATOM 560 CB LEU A 33 15.166 14.062 17.549 1.00 0.00 C ATOM 561 CG LEU A 33 14.512 15.116 18.443 1.00 0.00 C ATOM 562 CD1 LEU A 33 13.067 14.712 18.738 1.00 0.00 C ATOM 563 CD2 LEU A 33 15.289 15.222 19.757 1.00 0.00 C ATOM 0 H LEU A 33 15.710 13.932 15.074 1.00 0.00 H new ATOM 0 HA LEU A 33 16.574 15.655 17.297 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.479 13.766 16.756 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.390 13.166 18.128 1.00 0.00 H new ATOM 0 HG LEU A 33 14.522 16.080 17.934 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.602 15.464 19.375 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.512 14.636 17.803 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.055 13.748 19.247 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.824 15.973 20.395 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.279 14.258 20.265 1.00 0.00 H new ATOM 0 HD23 LEU A 33 16.319 15.511 19.548 1.00 0.00 H new ATOM 575 N GLU A 34 18.069 12.898 16.515 1.00 0.00 N ATOM 576 CA GLU A 34 19.241 12.047 16.842 1.00 0.00 C ATOM 577 C GLU A 34 20.499 12.870 16.593 1.00 0.00 C ATOM 578 O GLU A 34 21.483 12.754 17.294 1.00 0.00 O ATOM 579 CB GLU A 34 19.238 10.807 15.945 1.00 0.00 C ATOM 580 CG GLU A 34 20.506 9.989 16.195 1.00 0.00 C ATOM 581 CD GLU A 34 20.605 8.873 15.153 1.00 0.00 C ATOM 582 OE1 GLU A 34 19.573 8.478 14.638 1.00 0.00 O ATOM 583 OE2 GLU A 34 21.713 8.434 14.888 1.00 0.00 O ATOM 0 H GLU A 34 17.655 12.731 15.598 1.00 0.00 H new ATOM 0 HA GLU A 34 19.204 11.722 17.882 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.356 10.200 16.149 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.185 11.104 14.898 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.384 10.633 16.139 1.00 0.00 H new ATOM 0 HG3 GLU A 34 20.486 9.564 17.198 1.00 0.00 H new ATOM 590 N ARG A 35 20.457 13.722 15.606 1.00 0.00 N ATOM 591 CA ARG A 35 21.634 14.578 15.311 1.00 0.00 C ATOM 592 C ARG A 35 21.660 15.738 16.306 1.00 0.00 C ATOM 593 O ARG A 35 22.702 16.125 16.790 1.00 0.00 O ATOM 594 CB ARG A 35 21.530 15.118 13.882 1.00 0.00 C ATOM 595 CG ARG A 35 21.699 13.962 12.890 1.00 0.00 C ATOM 596 CD ARG A 35 22.688 14.365 11.795 1.00 0.00 C ATOM 597 NE ARG A 35 23.383 13.150 11.281 1.00 0.00 N ATOM 598 CZ ARG A 35 22.705 12.061 11.041 1.00 0.00 C ATOM 599 NH1 ARG A 35 21.868 12.021 10.040 1.00 0.00 N ATOM 600 NH2 ARG A 35 22.862 11.013 11.800 1.00 0.00 N ATOM 0 H ARG A 35 19.655 13.861 14.991 1.00 0.00 H new ATOM 0 HA ARG A 35 22.551 13.996 15.402 1.00 0.00 H new ATOM 0 HB2 ARG A 35 20.565 15.602 13.733 1.00 0.00 H new ATOM 0 HB3 ARG A 35 22.296 15.875 13.710 1.00 0.00 H new ATOM 0 HG2 ARG A 35 22.058 13.074 13.409 1.00 0.00 H new ATOM 0 HG3 ARG A 35 20.736 13.705 12.448 1.00 0.00 H new ATOM 0 HD2 ARG A 35 22.163 14.867 10.983 1.00 0.00 H new ATOM 0 HD3 ARG A 35 23.416 15.073 12.190 1.00 0.00 H new ATOM 0 HE ARG A 35 24.389 13.170 11.117 1.00 0.00 H new ATOM 0 HH11 ARG A 35 21.744 12.841 9.446 1.00 0.00 H new ATOM 0 HH12 ARG A 35 21.338 11.170 9.852 1.00 0.00 H new ATOM 0 HH21 ARG A 35 23.515 11.043 12.583 1.00 0.00 H new ATOM 0 HH22 ARG A 35 22.331 10.163 11.611 1.00 0.00 H new ATOM 614 N GLU A 36 20.520 16.284 16.631 1.00 0.00 N ATOM 615 CA GLU A 36 20.488 17.403 17.614 1.00 0.00 C ATOM 616 C GLU A 36 20.712 16.822 19.007 1.00 0.00 C ATOM 617 O GLU A 36 21.285 17.452 19.874 1.00 0.00 O ATOM 618 CB GLU A 36 19.130 18.108 17.558 1.00 0.00 C ATOM 619 CG GLU A 36 18.951 18.762 16.186 1.00 0.00 C ATOM 620 CD GLU A 36 18.894 20.282 16.346 1.00 0.00 C ATOM 621 OE1 GLU A 36 19.462 20.778 17.306 1.00 0.00 O ATOM 622 OE2 GLU A 36 18.284 20.923 15.506 1.00 0.00 O ATOM 0 H GLU A 36 19.612 16.004 16.259 1.00 0.00 H new ATOM 0 HA GLU A 36 21.266 18.130 17.380 1.00 0.00 H new ATOM 0 HB2 GLU A 36 18.329 17.392 17.739 1.00 0.00 H new ATOM 0 HB3 GLU A 36 19.067 18.862 18.343 1.00 0.00 H new ATOM 0 HG2 GLU A 36 19.776 18.486 15.530 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.036 18.401 15.716 1.00 0.00 H new ATOM 629 N ASN A 37 20.281 15.610 19.217 1.00 0.00 N ATOM 630 CA ASN A 37 20.478 14.960 20.539 1.00 0.00 C ATOM 631 C ASN A 37 21.938 14.528 20.651 1.00 0.00 C ATOM 632 O ASN A 37 22.513 14.514 21.718 1.00 0.00 O ATOM 633 CB ASN A 37 19.566 13.737 20.652 1.00 0.00 C ATOM 634 CG ASN A 37 19.804 13.043 21.994 1.00 0.00 C ATOM 635 OD1 ASN A 37 19.770 13.673 23.032 1.00 0.00 O ATOM 636 ND2 ASN A 37 20.042 11.761 22.017 1.00 0.00 N ATOM 0 H ASN A 37 19.798 15.039 18.524 1.00 0.00 H new ATOM 0 HA ASN A 37 20.232 15.657 21.341 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.522 14.040 20.568 1.00 0.00 H new ATOM 0 HB3 ASN A 37 19.765 13.046 19.833 1.00 0.00 H new ATOM 0 HD21 ASN A 37 20.200 11.287 22.907 1.00 0.00 H new ATOM 0 HD22 ASN A 37 20.071 11.232 21.145 1.00 0.00 H new ATOM 643 N THR A 38 22.546 14.187 19.546 1.00 0.00 N ATOM 644 CA THR A 38 23.976 13.775 19.578 1.00 0.00 C ATOM 645 C THR A 38 24.837 15.026 19.747 1.00 0.00 C ATOM 646 O THR A 38 25.860 15.008 20.403 1.00 0.00 O ATOM 647 CB THR A 38 24.339 13.077 18.264 1.00 0.00 C ATOM 648 OG1 THR A 38 23.592 11.874 18.148 1.00 0.00 O ATOM 649 CG2 THR A 38 25.834 12.754 18.249 1.00 0.00 C ATOM 0 H THR A 38 22.112 14.177 18.623 1.00 0.00 H new ATOM 0 HA THR A 38 24.148 13.087 20.405 1.00 0.00 H new ATOM 0 HB THR A 38 24.105 13.735 17.427 1.00 0.00 H new ATOM 0 HG1 THR A 38 22.923 11.971 17.438 1.00 0.00 H new ATOM 0 HG21 THR A 38 26.090 12.257 17.313 1.00 0.00 H new ATOM 0 HG22 THR A 38 26.407 13.677 18.338 1.00 0.00 H new ATOM 0 HG23 THR A 38 26.073 12.097 19.085 1.00 0.00 H new ATOM 657 N LEU A 39 24.418 16.117 19.168 1.00 0.00 N ATOM 658 CA LEU A 39 25.194 17.379 19.298 1.00 0.00 C ATOM 659 C LEU A 39 24.935 17.973 20.680 1.00 0.00 C ATOM 660 O LEU A 39 25.764 18.661 21.234 1.00 0.00 O ATOM 661 CB LEU A 39 24.749 18.369 18.220 1.00 0.00 C ATOM 662 CG LEU A 39 25.929 18.692 17.302 1.00 0.00 C ATOM 663 CD1 LEU A 39 25.427 19.447 16.070 1.00 0.00 C ATOM 664 CD2 LEU A 39 26.938 19.563 18.057 1.00 0.00 C ATOM 0 H LEU A 39 23.568 16.188 18.609 1.00 0.00 H new ATOM 0 HA LEU A 39 26.258 17.176 19.175 1.00 0.00 H new ATOM 0 HB2 LEU A 39 23.929 17.946 17.640 1.00 0.00 H new ATOM 0 HB3 LEU A 39 24.374 19.282 18.683 1.00 0.00 H new ATOM 0 HG LEU A 39 26.409 17.765 16.989 1.00 0.00 H new ATOM 0 HD11 LEU A 39 26.268 19.677 15.416 1.00 0.00 H new ATOM 0 HD12 LEU A 39 24.708 18.829 15.532 1.00 0.00 H new ATOM 0 HD13 LEU A 39 24.946 20.374 16.382 1.00 0.00 H new ATOM 0 HD21 LEU A 39 27.780 19.794 17.404 1.00 0.00 H new ATOM 0 HD22 LEU A 39 26.457 20.489 18.370 1.00 0.00 H new ATOM 0 HD23 LEU A 39 27.297 19.026 18.935 1.00 0.00 H new ATOM 676 N LEU A 40 23.792 17.697 21.243 1.00 0.00 N ATOM 677 CA LEU A 40 23.479 18.233 22.595 1.00 0.00 C ATOM 678 C LEU A 40 24.220 17.401 23.641 1.00 0.00 C ATOM 679 O LEU A 40 24.740 17.918 24.607 1.00 0.00 O ATOM 680 CB LEU A 40 21.973 18.145 22.844 1.00 0.00 C ATOM 681 CG LEU A 40 21.394 19.556 22.946 1.00 0.00 C ATOM 682 CD1 LEU A 40 19.871 19.474 23.059 1.00 0.00 C ATOM 683 CD2 LEU A 40 21.964 20.250 24.186 1.00 0.00 C ATOM 0 H LEU A 40 23.061 17.123 20.824 1.00 0.00 H new ATOM 0 HA LEU A 40 23.793 19.275 22.662 1.00 0.00 H new ATOM 0 HB2 LEU A 40 21.490 17.599 22.033 1.00 0.00 H new ATOM 0 HB3 LEU A 40 21.776 17.592 23.762 1.00 0.00 H new ATOM 0 HG LEU A 40 21.661 20.126 22.056 1.00 0.00 H new ATOM 0 HD11 LEU A 40 19.457 20.480 23.132 1.00 0.00 H new ATOM 0 HD12 LEU A 40 19.467 18.978 22.176 1.00 0.00 H new ATOM 0 HD13 LEU A 40 19.602 18.906 23.949 1.00 0.00 H new ATOM 0 HD21 LEU A 40 21.553 21.257 24.261 1.00 0.00 H new ATOM 0 HD22 LEU A 40 21.696 19.681 25.077 1.00 0.00 H new ATOM 0 HD23 LEU A 40 23.049 20.307 24.104 1.00 0.00 H new ATOM 695 N LYS A 41 24.283 16.113 23.447 1.00 0.00 N ATOM 696 CA LYS A 41 25.002 15.250 24.422 1.00 0.00 C ATOM 697 C LYS A 41 26.504 15.425 24.213 1.00 0.00 C ATOM 698 O LYS A 41 27.291 15.278 25.126 1.00 0.00 O ATOM 699 CB LYS A 41 24.607 13.785 24.211 1.00 0.00 C ATOM 700 CG LYS A 41 25.159 13.278 22.876 1.00 0.00 C ATOM 701 CD LYS A 41 26.121 12.115 23.130 1.00 0.00 C ATOM 702 CE LYS A 41 25.754 10.939 22.220 1.00 0.00 C ATOM 703 NZ LYS A 41 25.993 9.657 22.944 1.00 0.00 N ATOM 0 H LYS A 41 23.867 15.622 22.655 1.00 0.00 H new ATOM 0 HA LYS A 41 24.736 15.536 25.440 1.00 0.00 H new ATOM 0 HB2 LYS A 41 24.993 13.175 25.028 1.00 0.00 H new ATOM 0 HB3 LYS A 41 23.521 13.687 24.225 1.00 0.00 H new ATOM 0 HG2 LYS A 41 24.342 12.954 22.232 1.00 0.00 H new ATOM 0 HG3 LYS A 41 25.675 14.084 22.354 1.00 0.00 H new ATOM 0 HD2 LYS A 41 27.147 12.430 22.939 1.00 0.00 H new ATOM 0 HD3 LYS A 41 26.071 11.809 24.175 1.00 0.00 H new ATOM 0 HE2 LYS A 41 24.709 11.010 21.920 1.00 0.00 H new ATOM 0 HE3 LYS A 41 26.350 10.971 21.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 25.744 8.858 22.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 26.996 9.590 23.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 25.405 9.628 23.802 1.00 0.00 H new ATOM 717 N THR A 42 26.908 15.755 23.017 1.00 0.00 N ATOM 718 CA THR A 42 28.356 15.957 22.752 1.00 0.00 C ATOM 719 C THR A 42 28.768 17.328 23.289 1.00 0.00 C ATOM 720 O THR A 42 29.852 17.506 23.806 1.00 0.00 O ATOM 721 CB THR A 42 28.615 15.894 21.245 1.00 0.00 C ATOM 722 OG1 THR A 42 28.500 14.549 20.803 1.00 0.00 O ATOM 723 CG2 THR A 42 30.022 16.415 20.944 1.00 0.00 C ATOM 0 H THR A 42 26.296 15.893 22.213 1.00 0.00 H new ATOM 0 HA THR A 42 28.937 15.177 23.245 1.00 0.00 H new ATOM 0 HB THR A 42 27.884 16.512 20.724 1.00 0.00 H new ATOM 0 HG1 THR A 42 27.567 14.359 20.571 1.00 0.00 H new ATOM 0 HG21 THR A 42 30.205 16.369 19.870 1.00 0.00 H new ATOM 0 HG22 THR A 42 30.108 17.447 21.283 1.00 0.00 H new ATOM 0 HG23 THR A 42 30.757 15.800 21.464 1.00 0.00 H new ATOM 731 N LEU A 43 27.902 18.298 23.181 1.00 0.00 N ATOM 732 CA LEU A 43 28.232 19.655 23.694 1.00 0.00 C ATOM 733 C LEU A 43 28.151 19.642 25.220 1.00 0.00 C ATOM 734 O LEU A 43 28.880 20.337 25.898 1.00 0.00 O ATOM 735 CB LEU A 43 27.237 20.674 23.133 1.00 0.00 C ATOM 736 CG LEU A 43 27.946 21.569 22.115 1.00 0.00 C ATOM 737 CD1 LEU A 43 28.629 20.696 21.060 1.00 0.00 C ATOM 738 CD2 LEU A 43 26.921 22.480 21.435 1.00 0.00 C ATOM 0 H LEU A 43 26.978 18.208 22.758 1.00 0.00 H new ATOM 0 HA LEU A 43 29.239 19.932 23.381 1.00 0.00 H new ATOM 0 HB2 LEU A 43 26.400 20.160 22.661 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.825 21.279 23.941 1.00 0.00 H new ATOM 0 HG LEU A 43 28.693 22.178 22.624 1.00 0.00 H new ATOM 0 HD11 LEU A 43 29.135 21.332 20.334 1.00 0.00 H new ATOM 0 HD12 LEU A 43 29.358 20.045 21.543 1.00 0.00 H new ATOM 0 HD13 LEU A 43 27.881 20.088 20.551 1.00 0.00 H new ATOM 0 HD21 LEU A 43 27.426 23.118 20.710 1.00 0.00 H new ATOM 0 HD22 LEU A 43 26.175 21.871 20.925 1.00 0.00 H new ATOM 0 HD23 LEU A 43 26.432 23.101 22.185 1.00 0.00 H new ATOM 750 N ALA A 44 27.274 18.843 25.763 1.00 0.00 N ATOM 751 CA ALA A 44 27.151 18.765 27.245 1.00 0.00 C ATOM 752 C ALA A 44 28.030 17.621 27.757 1.00 0.00 C ATOM 753 O ALA A 44 27.970 17.240 28.908 1.00 0.00 O ATOM 754 CB ALA A 44 25.693 18.500 27.624 1.00 0.00 C ATOM 0 H ALA A 44 26.637 18.240 25.243 1.00 0.00 H new ATOM 0 HA ALA A 44 27.472 19.706 27.692 1.00 0.00 H new ATOM 0 HB1 ALA A 44 25.604 18.443 28.709 1.00 0.00 H new ATOM 0 HB2 ALA A 44 25.067 19.310 27.250 1.00 0.00 H new ATOM 0 HB3 ALA A 44 25.368 17.558 27.183 1.00 0.00 H new ATOM 760 N SER A 45 28.848 17.076 26.900 1.00 0.00 N ATOM 761 CA SER A 45 29.741 15.961 27.310 1.00 0.00 C ATOM 762 C SER A 45 30.986 16.488 28.048 1.00 0.00 C ATOM 763 O SER A 45 31.418 15.880 29.006 1.00 0.00 O ATOM 764 CB SER A 45 30.183 15.190 26.067 1.00 0.00 C ATOM 765 OG SER A 45 31.281 14.350 26.399 1.00 0.00 O ATOM 0 H SER A 45 28.935 17.360 25.924 1.00 0.00 H new ATOM 0 HA SER A 45 29.190 15.309 27.987 1.00 0.00 H new ATOM 0 HB2 SER A 45 29.356 14.592 25.683 1.00 0.00 H new ATOM 0 HB3 SER A 45 30.468 15.885 25.277 1.00 0.00 H new ATOM 0 HG SER A 45 31.565 13.853 25.603 1.00 0.00 H new ATOM 771 N PRO A 46 31.549 17.587 27.584 1.00 0.00 N ATOM 772 CA PRO A 46 32.760 18.160 28.199 1.00 0.00 C ATOM 773 C PRO A 46 32.449 18.869 29.525 1.00 0.00 C ATOM 774 O PRO A 46 33.035 18.562 30.542 1.00 0.00 O ATOM 775 CB PRO A 46 33.279 19.141 27.144 1.00 0.00 C ATOM 776 CG PRO A 46 32.075 19.491 26.241 1.00 0.00 C ATOM 777 CD PRO A 46 31.045 18.360 26.425 1.00 0.00 C ATOM 0 HA PRO A 46 33.493 17.396 28.459 1.00 0.00 H new ATOM 0 HB2 PRO A 46 33.685 20.037 27.614 1.00 0.00 H new ATOM 0 HB3 PRO A 46 34.084 18.694 26.561 1.00 0.00 H new ATOM 0 HG2 PRO A 46 31.648 20.454 26.521 1.00 0.00 H new ATOM 0 HG3 PRO A 46 32.382 19.570 25.198 1.00 0.00 H new ATOM 0 HD2 PRO A 46 30.048 18.758 26.616 1.00 0.00 H new ATOM 0 HD3 PRO A 46 30.975 17.738 25.533 1.00 0.00 H new ATOM 1507 N GLU B 17 -0.665 -3.873 10.949 1.00 0.00 N ATOM 1508 CA GLU B 17 0.331 -3.941 12.056 1.00 0.00 C ATOM 1509 C GLU B 17 1.725 -3.589 11.529 1.00 0.00 C ATOM 1510 O GLU B 17 2.588 -3.180 12.274 1.00 0.00 O ATOM 1511 CB GLU B 17 0.349 -5.354 12.641 1.00 0.00 C ATOM 1512 CG GLU B 17 0.069 -5.285 14.144 1.00 0.00 C ATOM 1513 CD GLU B 17 0.088 -6.695 14.736 1.00 0.00 C ATOM 1514 OE1 GLU B 17 1.172 -7.196 14.990 1.00 0.00 O ATOM 1515 OE2 GLU B 17 -0.981 -7.252 14.925 1.00 0.00 O ATOM 0 HA GLU B 17 0.052 -3.227 12.831 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -0.401 -5.973 12.148 1.00 0.00 H new ATOM 0 HB3 GLU B 17 1.317 -5.822 12.461 1.00 0.00 H new ATOM 0 HG2 GLU B 17 0.818 -4.664 14.635 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -0.900 -4.818 14.322 1.00 0.00 H new ATOM 1522 N ILE B 18 1.953 -3.740 10.256 1.00 0.00 N ATOM 1523 CA ILE B 18 3.295 -3.406 9.701 1.00 0.00 C ATOM 1524 C ILE B 18 3.475 -1.883 9.709 1.00 0.00 C ATOM 1525 O ILE B 18 4.570 -1.376 9.852 1.00 0.00 O ATOM 1526 CB ILE B 18 3.394 -3.946 8.269 1.00 0.00 C ATOM 1527 CG1 ILE B 18 3.701 -5.446 8.314 1.00 0.00 C ATOM 1528 CG2 ILE B 18 4.511 -3.227 7.508 1.00 0.00 C ATOM 1529 CD1 ILE B 18 2.782 -6.132 9.327 1.00 0.00 C ATOM 0 H ILE B 18 1.272 -4.079 9.577 1.00 0.00 H new ATOM 0 HA ILE B 18 4.079 -3.860 10.307 1.00 0.00 H new ATOM 0 HB ILE B 18 2.446 -3.774 7.759 1.00 0.00 H new ATOM 0 HG12 ILE B 18 3.561 -5.885 7.326 1.00 0.00 H new ATOM 0 HG13 ILE B 18 4.744 -5.605 8.589 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.571 -3.620 6.493 1.00 0.00 H new ATOM 0 HG22 ILE B 18 4.297 -2.159 7.472 1.00 0.00 H new ATOM 0 HG23 ILE B 18 5.461 -3.390 8.017 1.00 0.00 H new ATOM 0 HD11 ILE B 18 3.004 -7.199 9.356 1.00 0.00 H new ATOM 0 HD12 ILE B 18 2.944 -5.701 10.315 1.00 0.00 H new ATOM 0 HD13 ILE B 18 1.743 -5.985 9.033 1.00 0.00 H new ATOM 1541 N LEU B 19 2.404 -1.154 9.564 1.00 0.00 N ATOM 1542 CA LEU B 19 2.506 0.332 9.570 1.00 0.00 C ATOM 1543 C LEU B 19 2.353 0.842 11.003 1.00 0.00 C ATOM 1544 O LEU B 19 2.942 1.830 11.387 1.00 0.00 O ATOM 1545 CB LEU B 19 1.398 0.925 8.699 1.00 0.00 C ATOM 1546 CG LEU B 19 1.788 0.806 7.225 1.00 0.00 C ATOM 1547 CD1 LEU B 19 2.915 1.794 6.915 1.00 0.00 C ATOM 1548 CD2 LEU B 19 2.267 -0.619 6.938 1.00 0.00 C ATOM 0 H LEU B 19 1.461 -1.523 9.441 1.00 0.00 H new ATOM 0 HA LEU B 19 3.476 0.632 9.175 1.00 0.00 H new ATOM 0 HB2 LEU B 19 0.459 0.402 8.881 1.00 0.00 H new ATOM 0 HB3 LEU B 19 1.236 1.971 8.960 1.00 0.00 H new ATOM 0 HG LEU B 19 0.924 1.032 6.601 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.194 1.710 5.865 1.00 0.00 H new ATOM 0 HD12 LEU B 19 2.576 2.809 7.120 1.00 0.00 H new ATOM 0 HD13 LEU B 19 3.779 1.567 7.539 1.00 0.00 H new ATOM 0 HD21 LEU B 19 2.545 -0.705 5.888 1.00 0.00 H new ATOM 0 HD22 LEU B 19 3.132 -0.845 7.562 1.00 0.00 H new ATOM 0 HD23 LEU B 19 1.466 -1.324 7.160 1.00 0.00 H new ATOM 1560 N LYS B 20 1.570 0.169 11.798 1.00 0.00 N ATOM 1561 CA LYS B 20 1.377 0.603 13.209 1.00 0.00 C ATOM 1562 C LYS B 20 2.649 0.300 13.997 1.00 0.00 C ATOM 1563 O LYS B 20 3.010 1.007 14.915 1.00 0.00 O ATOM 1564 CB LYS B 20 0.199 -0.159 13.819 1.00 0.00 C ATOM 1565 CG LYS B 20 -0.191 0.482 15.151 1.00 0.00 C ATOM 1566 CD LYS B 20 -1.362 -0.290 15.763 1.00 0.00 C ATOM 1567 CE LYS B 20 -1.420 -0.024 17.268 1.00 0.00 C ATOM 1568 NZ LYS B 20 -0.535 -0.991 17.977 1.00 0.00 N ATOM 0 H LYS B 20 1.052 -0.668 11.529 1.00 0.00 H new ATOM 0 HA LYS B 20 1.168 1.672 13.245 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -0.650 -0.145 13.135 1.00 0.00 H new ATOM 0 HB3 LYS B 20 0.469 -1.204 13.972 1.00 0.00 H new ATOM 0 HG2 LYS B 20 0.659 0.476 15.833 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -0.469 1.525 14.998 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -2.297 0.015 15.293 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -1.245 -1.357 15.576 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -1.104 0.998 17.480 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -2.445 -0.122 17.626 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -0.574 -0.811 19.001 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -0.856 -1.961 17.784 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 0.443 -0.877 17.642 1.00 0.00 H new ATOM 1582 N GLU B 21 3.335 -0.746 13.631 1.00 0.00 N ATOM 1583 CA GLU B 21 4.592 -1.106 14.340 1.00 0.00 C ATOM 1584 C GLU B 21 5.706 -0.176 13.869 1.00 0.00 C ATOM 1585 O GLU B 21 6.623 0.128 14.601 1.00 0.00 O ATOM 1586 CB GLU B 21 4.964 -2.556 14.024 1.00 0.00 C ATOM 1587 CG GLU B 21 5.575 -3.210 15.264 1.00 0.00 C ATOM 1588 CD GLU B 21 7.073 -2.908 15.315 1.00 0.00 C ATOM 1589 OE1 GLU B 21 7.429 -1.869 15.846 1.00 0.00 O ATOM 1590 OE2 GLU B 21 7.838 -3.721 14.823 1.00 0.00 O ATOM 0 H GLU B 21 3.077 -1.370 12.867 1.00 0.00 H new ATOM 0 HA GLU B 21 4.453 -1.002 15.416 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.079 -3.108 13.708 1.00 0.00 H new ATOM 0 HB3 GLU B 21 5.673 -2.588 13.197 1.00 0.00 H new ATOM 0 HG2 GLU B 21 5.087 -2.835 16.164 1.00 0.00 H new ATOM 0 HG3 GLU B 21 5.411 -4.287 15.238 1.00 0.00 H new ATOM 1597 N GLN B 22 5.628 0.288 12.651 1.00 0.00 N ATOM 1598 CA GLN B 22 6.677 1.212 12.140 1.00 0.00 C ATOM 1599 C GLN B 22 6.480 2.582 12.786 1.00 0.00 C ATOM 1600 O GLN B 22 7.422 3.228 13.196 1.00 0.00 O ATOM 1601 CB GLN B 22 6.552 1.340 10.620 1.00 0.00 C ATOM 1602 CG GLN B 22 7.882 0.960 9.967 1.00 0.00 C ATOM 1603 CD GLN B 22 7.623 0.052 8.764 1.00 0.00 C ATOM 1604 OE1 GLN B 22 6.490 -0.173 8.389 1.00 0.00 O ATOM 1605 NE2 GLN B 22 8.636 -0.486 8.140 1.00 0.00 N ATOM 0 H GLN B 22 4.884 0.067 11.990 1.00 0.00 H new ATOM 0 HA GLN B 22 7.666 0.824 12.385 1.00 0.00 H new ATOM 0 HB2 GLN B 22 5.756 0.692 10.254 1.00 0.00 H new ATOM 0 HB3 GLN B 22 6.281 2.361 10.351 1.00 0.00 H new ATOM 0 HG2 GLN B 22 8.412 1.858 9.650 1.00 0.00 H new ATOM 0 HG3 GLN B 22 8.521 0.451 10.689 1.00 0.00 H new ATOM 0 HE21 GLN B 22 9.588 -0.297 8.455 1.00 0.00 H new ATOM 0 HE22 GLN B 22 8.476 -1.095 7.338 1.00 0.00 H new ATOM 1614 N ILE B 23 5.258 3.024 12.887 1.00 0.00 N ATOM 1615 CA ILE B 23 4.993 4.346 13.516 1.00 0.00 C ATOM 1616 C ILE B 23 5.108 4.204 15.033 1.00 0.00 C ATOM 1617 O ILE B 23 5.403 5.148 15.733 1.00 0.00 O ATOM 1618 CB ILE B 23 3.584 4.819 13.149 1.00 0.00 C ATOM 1619 CG1 ILE B 23 2.556 3.830 13.702 1.00 0.00 C ATOM 1620 CG2 ILE B 23 3.450 4.894 11.626 1.00 0.00 C ATOM 1621 CD1 ILE B 23 1.257 4.571 14.028 1.00 0.00 C ATOM 0 H ILE B 23 4.430 2.525 12.560 1.00 0.00 H new ATOM 0 HA ILE B 23 5.718 5.077 13.157 1.00 0.00 H new ATOM 0 HB ILE B 23 3.409 5.806 13.578 1.00 0.00 H new ATOM 0 HG12 ILE B 23 2.365 3.043 12.973 1.00 0.00 H new ATOM 0 HG13 ILE B 23 2.946 3.347 14.598 1.00 0.00 H new ATOM 0 HG21 ILE B 23 2.447 5.231 11.365 1.00 0.00 H new ATOM 0 HG22 ILE B 23 4.183 5.597 11.230 1.00 0.00 H new ATOM 0 HG23 ILE B 23 3.625 3.908 11.196 1.00 0.00 H new ATOM 0 HD11 ILE B 23 0.525 3.866 14.422 1.00 0.00 H new ATOM 0 HD12 ILE B 23 1.455 5.342 14.772 1.00 0.00 H new ATOM 0 HD13 ILE B 23 0.865 5.033 13.122 1.00 0.00 H new ATOM 1633 N ARG B 24 4.888 3.024 15.544 1.00 0.00 N ATOM 1634 CA ARG B 24 4.996 2.817 17.015 1.00 0.00 C ATOM 1635 C ARG B 24 6.473 2.767 17.400 1.00 0.00 C ATOM 1636 O ARG B 24 6.879 3.285 18.419 1.00 0.00 O ATOM 1637 CB ARG B 24 4.332 1.495 17.400 1.00 0.00 C ATOM 1638 CG ARG B 24 2.894 1.755 17.854 1.00 0.00 C ATOM 1639 CD ARG B 24 2.902 2.342 19.268 1.00 0.00 C ATOM 1640 NE ARG B 24 1.582 2.098 19.913 1.00 0.00 N ATOM 1641 CZ ARG B 24 1.375 2.489 21.140 1.00 0.00 C ATOM 1642 NH1 ARG B 24 1.723 1.722 22.138 1.00 0.00 N ATOM 1643 NH2 ARG B 24 0.823 3.648 21.370 1.00 0.00 N ATOM 0 H ARG B 24 4.638 2.194 15.006 1.00 0.00 H new ATOM 0 HA ARG B 24 4.500 3.635 17.537 1.00 0.00 H new ATOM 0 HB2 ARG B 24 4.338 0.813 16.550 1.00 0.00 H new ATOM 0 HB3 ARG B 24 4.895 1.013 18.199 1.00 0.00 H new ATOM 0 HG2 ARG B 24 2.403 2.443 17.166 1.00 0.00 H new ATOM 0 HG3 ARG B 24 2.323 0.827 17.838 1.00 0.00 H new ATOM 0 HD2 ARG B 24 3.697 1.886 19.858 1.00 0.00 H new ATOM 0 HD3 ARG B 24 3.107 3.412 19.228 1.00 0.00 H new ATOM 0 HE ARG B 24 0.841 1.626 19.396 1.00 0.00 H new ATOM 0 HH11 ARG B 24 2.157 0.817 21.958 1.00 0.00 H new ATOM 0 HH12 ARG B 24 1.561 2.028 23.097 1.00 0.00 H new ATOM 0 HH21 ARG B 24 0.553 4.248 20.591 1.00 0.00 H new ATOM 0 HH22 ARG B 24 0.661 3.954 22.329 1.00 0.00 H new ATOM 1657 N GLU B 25 7.279 2.151 16.580 1.00 0.00 N ATOM 1658 CA GLU B 25 8.734 2.064 16.879 1.00 0.00 C ATOM 1659 C GLU B 25 9.382 3.410 16.561 1.00 0.00 C ATOM 1660 O GLU B 25 10.333 3.815 17.194 1.00 0.00 O ATOM 1661 CB GLU B 25 9.369 0.968 16.019 1.00 0.00 C ATOM 1662 CG GLU B 25 9.404 1.421 14.557 1.00 0.00 C ATOM 1663 CD GLU B 25 9.873 0.264 13.672 1.00 0.00 C ATOM 1664 OE1 GLU B 25 9.843 -0.863 14.138 1.00 0.00 O ATOM 1665 OE2 GLU B 25 10.253 0.525 12.542 1.00 0.00 O ATOM 0 H GLU B 25 6.990 1.702 15.711 1.00 0.00 H new ATOM 0 HA GLU B 25 8.884 1.821 17.931 1.00 0.00 H new ATOM 0 HB2 GLU B 25 10.379 0.756 16.369 1.00 0.00 H new ATOM 0 HB3 GLU B 25 8.799 0.043 16.111 1.00 0.00 H new ATOM 0 HG2 GLU B 25 8.414 1.753 14.245 1.00 0.00 H new ATOM 0 HG3 GLU B 25 10.075 2.273 14.446 1.00 0.00 H new ATOM 1672 N LEU B 26 8.862 4.111 15.591 1.00 0.00 N ATOM 1673 CA LEU B 26 9.436 5.440 15.245 1.00 0.00 C ATOM 1674 C LEU B 26 8.957 6.456 16.275 1.00 0.00 C ATOM 1675 O LEU B 26 9.640 7.407 16.594 1.00 0.00 O ATOM 1676 CB LEU B 26 8.964 5.858 13.852 1.00 0.00 C ATOM 1677 CG LEU B 26 10.166 5.940 12.911 1.00 0.00 C ATOM 1678 CD1 LEU B 26 11.218 6.873 13.509 1.00 0.00 C ATOM 1679 CD2 LEU B 26 10.768 4.543 12.731 1.00 0.00 C ATOM 0 H LEU B 26 8.065 3.820 15.024 1.00 0.00 H new ATOM 0 HA LEU B 26 10.525 5.389 15.248 1.00 0.00 H new ATOM 0 HB2 LEU B 26 8.239 5.139 13.471 1.00 0.00 H new ATOM 0 HB3 LEU B 26 8.460 6.823 13.901 1.00 0.00 H new ATOM 0 HG LEU B 26 9.845 6.326 11.944 1.00 0.00 H new ATOM 0 HD11 LEU B 26 12.075 6.932 12.839 1.00 0.00 H new ATOM 0 HD12 LEU B 26 10.791 7.867 13.640 1.00 0.00 H new ATOM 0 HD13 LEU B 26 11.540 6.486 14.476 1.00 0.00 H new ATOM 0 HD21 LEU B 26 11.625 4.600 12.060 1.00 0.00 H new ATOM 0 HD22 LEU B 26 11.089 4.158 13.699 1.00 0.00 H new ATOM 0 HD23 LEU B 26 10.018 3.876 12.306 1.00 0.00 H new ATOM 1691 N VAL B 27 7.788 6.246 16.811 1.00 0.00 N ATOM 1692 CA VAL B 27 7.257 7.180 17.838 1.00 0.00 C ATOM 1693 C VAL B 27 7.877 6.815 19.186 1.00 0.00 C ATOM 1694 O VAL B 27 8.043 7.648 20.053 1.00 0.00 O ATOM 1695 CB VAL B 27 5.732 7.050 17.909 1.00 0.00 C ATOM 1696 CG1 VAL B 27 5.220 7.673 19.209 1.00 0.00 C ATOM 1697 CG2 VAL B 27 5.103 7.779 16.718 1.00 0.00 C ATOM 0 H VAL B 27 7.176 5.464 16.580 1.00 0.00 H new ATOM 0 HA VAL B 27 7.508 8.209 17.581 1.00 0.00 H new ATOM 0 HB VAL B 27 5.460 5.995 17.881 1.00 0.00 H new ATOM 0 HG11 VAL B 27 4.135 7.578 19.255 1.00 0.00 H new ATOM 0 HG12 VAL B 27 5.666 7.158 20.060 1.00 0.00 H new ATOM 0 HG13 VAL B 27 5.494 8.728 19.240 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.018 7.687 16.767 1.00 0.00 H new ATOM 0 HG22 VAL B 27 5.380 8.833 16.749 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.463 7.336 15.789 1.00 0.00 H new ATOM 1707 N GLU B 28 8.239 5.573 19.357 1.00 0.00 N ATOM 1708 CA GLU B 28 8.868 5.147 20.634 1.00 0.00 C ATOM 1709 C GLU B 28 10.334 5.570 20.609 1.00 0.00 C ATOM 1710 O GLU B 28 10.906 5.931 21.616 1.00 0.00 O ATOM 1711 CB GLU B 28 8.776 3.625 20.774 1.00 0.00 C ATOM 1712 CG GLU B 28 7.635 3.270 21.728 1.00 0.00 C ATOM 1713 CD GLU B 28 7.004 1.943 21.299 1.00 0.00 C ATOM 1714 OE1 GLU B 28 6.979 1.679 20.108 1.00 0.00 O ATOM 1715 OE2 GLU B 28 6.554 1.215 22.169 1.00 0.00 O ATOM 0 H GLU B 28 8.125 4.834 18.663 1.00 0.00 H new ATOM 0 HA GLU B 28 8.355 5.609 21.477 1.00 0.00 H new ATOM 0 HB2 GLU B 28 8.605 3.169 19.799 1.00 0.00 H new ATOM 0 HB3 GLU B 28 9.718 3.226 21.151 1.00 0.00 H new ATOM 0 HG2 GLU B 28 8.011 3.193 22.748 1.00 0.00 H new ATOM 0 HG3 GLU B 28 6.884 4.060 21.724 1.00 0.00 H new ATOM 1722 N LYS B 29 10.936 5.545 19.453 1.00 0.00 N ATOM 1723 CA LYS B 29 12.357 5.964 19.342 1.00 0.00 C ATOM 1724 C LYS B 29 12.406 7.488 19.377 1.00 0.00 C ATOM 1725 O LYS B 29 13.300 8.080 19.948 1.00 0.00 O ATOM 1726 CB LYS B 29 12.942 5.454 18.024 1.00 0.00 C ATOM 1727 CG LYS B 29 13.723 4.162 18.278 1.00 0.00 C ATOM 1728 CD LYS B 29 14.926 4.461 19.176 1.00 0.00 C ATOM 1729 CE LYS B 29 16.196 3.896 18.537 1.00 0.00 C ATOM 1730 NZ LYS B 29 17.086 5.020 18.129 1.00 0.00 N ATOM 0 H LYS B 29 10.502 5.251 18.578 1.00 0.00 H new ATOM 0 HA LYS B 29 12.941 5.551 20.165 1.00 0.00 H new ATOM 0 HB2 LYS B 29 12.143 5.273 17.305 1.00 0.00 H new ATOM 0 HB3 LYS B 29 13.598 6.208 17.589 1.00 0.00 H new ATOM 0 HG2 LYS B 29 13.078 3.421 18.751 1.00 0.00 H new ATOM 0 HG3 LYS B 29 14.058 3.735 17.333 1.00 0.00 H new ATOM 0 HD2 LYS B 29 15.027 5.537 19.320 1.00 0.00 H new ATOM 0 HD3 LYS B 29 14.776 4.020 20.161 1.00 0.00 H new ATOM 0 HE2 LYS B 29 16.713 3.246 19.242 1.00 0.00 H new ATOM 0 HE3 LYS B 29 15.940 3.287 17.670 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 17.950 4.638 17.694 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 16.590 5.624 17.442 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 17.339 5.584 18.966 1.00 0.00 H new ATOM 1744 N ASN B 30 11.434 8.126 18.786 1.00 0.00 N ATOM 1745 CA ASN B 30 11.398 9.611 18.797 1.00 0.00 C ATOM 1746 C ASN B 30 11.069 10.069 20.215 1.00 0.00 C ATOM 1747 O ASN B 30 11.566 11.068 20.691 1.00 0.00 O ATOM 1748 CB ASN B 30 10.321 10.107 17.830 1.00 0.00 C ATOM 1749 CG ASN B 30 10.100 11.606 18.036 1.00 0.00 C ATOM 1750 OD1 ASN B 30 9.050 12.023 18.483 1.00 0.00 O ATOM 1751 ND2 ASN B 30 11.052 12.442 17.724 1.00 0.00 N ATOM 0 H ASN B 30 10.661 7.678 18.294 1.00 0.00 H new ATOM 0 HA ASN B 30 12.361 10.015 18.485 1.00 0.00 H new ATOM 0 HB2 ASN B 30 10.623 9.911 16.801 1.00 0.00 H new ATOM 0 HB3 ASN B 30 9.390 9.565 17.997 1.00 0.00 H new ATOM 0 HD21 ASN B 30 10.914 13.444 17.855 1.00 0.00 H new ATOM 0 HD22 ASN B 30 11.934 12.093 17.349 1.00 0.00 H new ATOM 1758 N SER B 31 10.242 9.324 20.897 1.00 0.00 N ATOM 1759 CA SER B 31 9.886 9.690 22.294 1.00 0.00 C ATOM 1760 C SER B 31 11.105 9.447 23.179 1.00 0.00 C ATOM 1761 O SER B 31 11.386 10.200 24.086 1.00 0.00 O ATOM 1762 CB SER B 31 8.720 8.825 22.772 1.00 0.00 C ATOM 1763 OG SER B 31 8.027 9.505 23.812 1.00 0.00 O ATOM 0 H SER B 31 9.798 8.476 20.545 1.00 0.00 H new ATOM 0 HA SER B 31 9.589 10.738 22.344 1.00 0.00 H new ATOM 0 HB2 SER B 31 8.043 8.617 21.944 1.00 0.00 H new ATOM 0 HB3 SER B 31 9.088 7.864 23.132 1.00 0.00 H new ATOM 0 HG SER B 31 7.277 8.954 24.120 1.00 0.00 H new ATOM 1769 N GLN B 32 11.843 8.405 22.909 1.00 0.00 N ATOM 1770 CA GLN B 32 13.056 8.124 23.721 1.00 0.00 C ATOM 1771 C GLN B 32 14.082 9.217 23.437 1.00 0.00 C ATOM 1772 O GLN B 32 14.852 9.605 24.293 1.00 0.00 O ATOM 1773 CB GLN B 32 13.629 6.759 23.332 1.00 0.00 C ATOM 1774 CG GLN B 32 14.856 6.455 24.193 1.00 0.00 C ATOM 1775 CD GLN B 32 14.704 5.070 24.826 1.00 0.00 C ATOM 1776 OE1 GLN B 32 13.828 4.313 24.456 1.00 0.00 O ATOM 1777 NE2 GLN B 32 15.525 4.703 25.771 1.00 0.00 N ATOM 0 H GLN B 32 11.657 7.737 22.161 1.00 0.00 H new ATOM 0 HA GLN B 32 12.808 8.109 24.782 1.00 0.00 H new ATOM 0 HB2 GLN B 32 12.875 5.984 23.469 1.00 0.00 H new ATOM 0 HB3 GLN B 32 13.902 6.755 22.277 1.00 0.00 H new ATOM 0 HG2 GLN B 32 15.759 6.491 23.584 1.00 0.00 H new ATOM 0 HG3 GLN B 32 14.965 7.212 24.970 1.00 0.00 H new ATOM 0 HE21 GLN B 32 16.261 5.337 26.082 1.00 0.00 H new ATOM 0 HE22 GLN B 32 15.431 3.782 26.199 1.00 0.00 H new ATOM 1786 N LEU B 33 14.083 9.725 22.236 1.00 0.00 N ATOM 1787 CA LEU B 33 15.041 10.803 21.885 1.00 0.00 C ATOM 1788 C LEU B 33 14.461 12.147 22.322 1.00 0.00 C ATOM 1789 O LEU B 33 15.166 13.126 22.451 1.00 0.00 O ATOM 1790 CB LEU B 33 15.267 10.806 20.374 1.00 0.00 C ATOM 1791 CG LEU B 33 16.621 10.166 20.067 1.00 0.00 C ATOM 1792 CD1 LEU B 33 16.408 8.784 19.451 1.00 0.00 C ATOM 1793 CD2 LEU B 33 17.380 11.050 19.083 1.00 0.00 C ATOM 0 H LEU B 33 13.459 9.437 21.482 1.00 0.00 H new ATOM 0 HA LEU B 33 15.992 10.634 22.391 1.00 0.00 H new ATOM 0 HB2 LEU B 33 14.470 10.256 19.874 1.00 0.00 H new ATOM 0 HB3 LEU B 33 15.239 11.826 19.992 1.00 0.00 H new ATOM 0 HG LEU B 33 17.194 10.064 20.988 1.00 0.00 H new ATOM 0 HD11 LEU B 33 17.375 8.330 19.233 1.00 0.00 H new ATOM 0 HD12 LEU B 33 15.861 8.154 20.152 1.00 0.00 H new ATOM 0 HD13 LEU B 33 15.836 8.881 18.528 1.00 0.00 H new ATOM 0 HD21 LEU B 33 18.347 10.599 18.860 1.00 0.00 H new ATOM 0 HD22 LEU B 33 16.804 11.148 18.163 1.00 0.00 H new ATOM 0 HD23 LEU B 33 17.532 12.036 19.522 1.00 0.00 H new ATOM 1805 N GLU B 34 13.181 12.198 22.564 1.00 0.00 N ATOM 1806 CA GLU B 34 12.561 13.476 23.008 1.00 0.00 C ATOM 1807 C GLU B 34 12.799 13.643 24.507 1.00 0.00 C ATOM 1808 O GLU B 34 13.020 14.732 24.995 1.00 0.00 O ATOM 1809 CB GLU B 34 11.058 13.444 22.725 1.00 0.00 C ATOM 1810 CG GLU B 34 10.683 14.623 21.825 1.00 0.00 C ATOM 1811 CD GLU B 34 9.165 14.810 21.834 1.00 0.00 C ATOM 1812 OE1 GLU B 34 8.624 15.044 22.902 1.00 0.00 O ATOM 1813 OE2 GLU B 34 8.570 14.715 20.774 1.00 0.00 O ATOM 0 H GLU B 34 12.539 11.411 22.474 1.00 0.00 H new ATOM 0 HA GLU B 34 13.006 14.312 22.467 1.00 0.00 H new ATOM 0 HB2 GLU B 34 10.788 12.504 22.243 1.00 0.00 H new ATOM 0 HB3 GLU B 34 10.500 13.495 23.660 1.00 0.00 H new ATOM 0 HG2 GLU B 34 11.174 15.531 22.174 1.00 0.00 H new ATOM 0 HG3 GLU B 34 11.032 14.443 20.808 1.00 0.00 H new ATOM 1820 N ARG B 35 12.768 12.565 25.242 1.00 0.00 N ATOM 1821 CA ARG B 35 13.004 12.656 26.708 1.00 0.00 C ATOM 1822 C ARG B 35 14.506 12.758 26.966 1.00 0.00 C ATOM 1823 O ARG B 35 14.941 13.372 27.920 1.00 0.00 O ATOM 1824 CB ARG B 35 12.447 11.410 27.398 1.00 0.00 C ATOM 1825 CG ARG B 35 12.383 11.652 28.907 1.00 0.00 C ATOM 1826 CD ARG B 35 12.115 10.329 29.625 1.00 0.00 C ATOM 1827 NE ARG B 35 13.159 10.109 30.665 1.00 0.00 N ATOM 1828 CZ ARG B 35 13.168 9.001 31.354 1.00 0.00 C ATOM 1829 NH1 ARG B 35 12.152 8.694 32.113 1.00 0.00 N ATOM 1830 NH2 ARG B 35 14.195 8.197 31.284 1.00 0.00 N ATOM 0 H ARG B 35 12.589 11.625 24.889 1.00 0.00 H new ATOM 0 HA ARG B 35 12.502 13.538 27.106 1.00 0.00 H new ATOM 0 HB2 ARG B 35 11.453 11.181 27.013 1.00 0.00 H new ATOM 0 HB3 ARG B 35 13.079 10.548 27.183 1.00 0.00 H new ATOM 0 HG2 ARG B 35 13.320 12.084 29.257 1.00 0.00 H new ATOM 0 HG3 ARG B 35 11.595 12.369 29.138 1.00 0.00 H new ATOM 0 HD2 ARG B 35 11.127 10.346 30.084 1.00 0.00 H new ATOM 0 HD3 ARG B 35 12.120 9.507 28.909 1.00 0.00 H new ATOM 0 HE ARG B 35 13.866 10.824 30.838 1.00 0.00 H new ATOM 0 HH11 ARG B 35 11.349 9.321 32.168 1.00 0.00 H new ATOM 0 HH12 ARG B 35 12.161 7.827 32.651 1.00 0.00 H new ATOM 0 HH21 ARG B 35 14.990 8.435 30.691 1.00 0.00 H new ATOM 0 HH22 ARG B 35 14.202 7.331 31.823 1.00 0.00 H new ATOM 1844 N GLU B 36 15.305 12.172 26.116 1.00 0.00 N ATOM 1845 CA GLU B 36 16.779 12.252 26.311 1.00 0.00 C ATOM 1846 C GLU B 36 17.277 13.579 25.742 1.00 0.00 C ATOM 1847 O GLU B 36 18.205 14.177 26.248 1.00 0.00 O ATOM 1848 CB GLU B 36 17.460 11.091 25.584 1.00 0.00 C ATOM 1849 CG GLU B 36 17.997 10.091 26.609 1.00 0.00 C ATOM 1850 CD GLU B 36 16.984 8.963 26.803 1.00 0.00 C ATOM 1851 OE1 GLU B 36 15.894 9.246 27.275 1.00 0.00 O ATOM 1852 OE2 GLU B 36 17.313 7.836 26.475 1.00 0.00 O ATOM 0 H GLU B 36 15.001 11.643 25.298 1.00 0.00 H new ATOM 0 HA GLU B 36 17.016 12.191 27.373 1.00 0.00 H new ATOM 0 HB2 GLU B 36 16.751 10.599 24.918 1.00 0.00 H new ATOM 0 HB3 GLU B 36 18.275 11.464 24.963 1.00 0.00 H new ATOM 0 HG2 GLU B 36 18.950 9.684 26.270 1.00 0.00 H new ATOM 0 HG3 GLU B 36 18.184 10.593 27.558 1.00 0.00 H new ATOM 1859 N ASN B 37 16.654 14.046 24.696 1.00 0.00 N ATOM 1860 CA ASN B 37 17.073 15.339 24.091 1.00 0.00 C ATOM 1861 C ASN B 37 16.548 16.483 24.956 1.00 0.00 C ATOM 1862 O ASN B 37 17.171 17.517 25.081 1.00 0.00 O ATOM 1863 CB ASN B 37 16.492 15.456 22.681 1.00 0.00 C ATOM 1864 CG ASN B 37 17.097 16.674 21.980 1.00 0.00 C ATOM 1865 OD1 ASN B 37 18.141 16.581 21.364 1.00 0.00 O ATOM 1866 ND2 ASN B 37 16.481 17.822 22.049 1.00 0.00 N ATOM 0 H ASN B 37 15.870 13.586 24.233 1.00 0.00 H new ATOM 0 HA ASN B 37 18.161 15.386 24.036 1.00 0.00 H new ATOM 0 HB2 ASN B 37 16.706 14.552 22.112 1.00 0.00 H new ATOM 0 HB3 ASN B 37 15.407 15.553 22.730 1.00 0.00 H new ATOM 0 HD21 ASN B 37 16.875 18.641 21.586 1.00 0.00 H new ATOM 0 HD22 ASN B 37 15.605 17.901 22.566 1.00 0.00 H new ATOM 1873 N THR B 38 15.409 16.299 25.563 1.00 0.00 N ATOM 1874 CA THR B 38 14.848 17.370 26.429 1.00 0.00 C ATOM 1875 C THR B 38 15.629 17.404 27.740 1.00 0.00 C ATOM 1876 O THR B 38 15.851 18.450 28.316 1.00 0.00 O ATOM 1877 CB THR B 38 13.373 17.080 26.716 1.00 0.00 C ATOM 1878 OG1 THR B 38 12.659 16.999 25.490 1.00 0.00 O ATOM 1879 CG2 THR B 38 12.791 18.203 27.577 1.00 0.00 C ATOM 0 H THR B 38 14.843 15.453 25.496 1.00 0.00 H new ATOM 0 HA THR B 38 14.929 18.333 25.925 1.00 0.00 H new ATOM 0 HB THR B 38 13.284 16.133 27.249 1.00 0.00 H new ATOM 0 HG1 THR B 38 12.715 16.086 25.139 1.00 0.00 H new ATOM 0 HG21 THR B 38 11.740 17.997 27.782 1.00 0.00 H new ATOM 0 HG22 THR B 38 13.339 18.262 28.517 1.00 0.00 H new ATOM 0 HG23 THR B 38 12.878 19.151 27.046 1.00 0.00 H new ATOM 1887 N LEU B 39 16.059 16.266 28.215 1.00 0.00 N ATOM 1888 CA LEU B 39 16.836 16.242 29.482 1.00 0.00 C ATOM 1889 C LEU B 39 18.253 16.738 29.200 1.00 0.00 C ATOM 1890 O LEU B 39 18.870 17.383 30.022 1.00 0.00 O ATOM 1891 CB LEU B 39 16.888 14.816 30.032 1.00 0.00 C ATOM 1892 CG LEU B 39 16.737 14.852 31.553 1.00 0.00 C ATOM 1893 CD1 LEU B 39 17.833 15.733 32.157 1.00 0.00 C ATOM 1894 CD2 LEU B 39 15.367 15.430 31.915 1.00 0.00 C ATOM 0 H LEU B 39 15.905 15.356 27.780 1.00 0.00 H new ATOM 0 HA LEU B 39 16.358 16.886 30.220 1.00 0.00 H new ATOM 0 HB2 LEU B 39 16.093 14.215 29.591 1.00 0.00 H new ATOM 0 HB3 LEU B 39 17.832 14.344 29.760 1.00 0.00 H new ATOM 0 HG LEU B 39 16.824 13.840 31.949 1.00 0.00 H new ATOM 0 HD11 LEU B 39 17.724 15.758 33.241 1.00 0.00 H new ATOM 0 HD12 LEU B 39 18.811 15.325 31.900 1.00 0.00 H new ATOM 0 HD13 LEU B 39 17.746 16.745 31.761 1.00 0.00 H new ATOM 0 HD21 LEU B 39 15.258 15.456 32.999 1.00 0.00 H new ATOM 0 HD22 LEU B 39 15.282 16.441 31.517 1.00 0.00 H new ATOM 0 HD23 LEU B 39 14.584 14.805 31.487 1.00 0.00 H new ATOM 1906 N LEU B 40 18.769 16.454 28.036 1.00 0.00 N ATOM 1907 CA LEU B 40 20.140 16.924 27.698 1.00 0.00 C ATOM 1908 C LEU B 40 20.062 18.387 27.262 1.00 0.00 C ATOM 1909 O LEU B 40 21.019 19.126 27.353 1.00 0.00 O ATOM 1910 CB LEU B 40 20.707 16.072 26.561 1.00 0.00 C ATOM 1911 CG LEU B 40 21.499 14.903 27.149 1.00 0.00 C ATOM 1912 CD1 LEU B 40 22.060 14.042 26.016 1.00 0.00 C ATOM 1913 CD2 LEU B 40 22.650 15.446 27.998 1.00 0.00 C ATOM 0 H LEU B 40 18.301 15.917 27.306 1.00 0.00 H new ATOM 0 HA LEU B 40 20.792 16.833 28.567 1.00 0.00 H new ATOM 0 HB2 LEU B 40 19.898 15.698 25.933 1.00 0.00 H new ATOM 0 HB3 LEU B 40 21.351 16.678 25.924 1.00 0.00 H new ATOM 0 HG LEU B 40 20.842 14.295 27.772 1.00 0.00 H new ATOM 0 HD11 LEU B 40 22.624 13.210 26.437 1.00 0.00 H new ATOM 0 HD12 LEU B 40 21.239 13.656 25.412 1.00 0.00 H new ATOM 0 HD13 LEU B 40 22.717 14.646 25.391 1.00 0.00 H new ATOM 0 HD21 LEU B 40 23.216 14.615 28.418 1.00 0.00 H new ATOM 0 HD22 LEU B 40 23.306 16.054 27.375 1.00 0.00 H new ATOM 0 HD23 LEU B 40 22.249 16.057 28.806 1.00 0.00 H new ATOM 1925 N LYS B 41 18.915 18.809 26.804 1.00 0.00 N ATOM 1926 CA LYS B 41 18.753 20.225 26.375 1.00 0.00 C ATOM 1927 C LYS B 41 18.524 21.086 27.615 1.00 0.00 C ATOM 1928 O LYS B 41 18.934 22.226 27.678 1.00 0.00 O ATOM 1929 CB LYS B 41 17.546 20.344 25.441 1.00 0.00 C ATOM 1930 CG LYS B 41 17.456 21.772 24.898 1.00 0.00 C ATOM 1931 CD LYS B 41 16.965 21.737 23.451 1.00 0.00 C ATOM 1932 CE LYS B 41 16.498 23.133 23.032 1.00 0.00 C ATOM 1933 NZ LYS B 41 17.479 24.149 23.508 1.00 0.00 N ATOM 0 H LYS B 41 18.080 18.231 26.709 1.00 0.00 H new ATOM 0 HA LYS B 41 19.646 20.559 25.847 1.00 0.00 H new ATOM 0 HB2 LYS B 41 17.640 19.636 24.617 1.00 0.00 H new ATOM 0 HB3 LYS B 41 16.632 20.090 25.977 1.00 0.00 H new ATOM 0 HG2 LYS B 41 16.775 22.363 25.510 1.00 0.00 H new ATOM 0 HG3 LYS B 41 18.432 22.255 24.951 1.00 0.00 H new ATOM 0 HD2 LYS B 41 17.765 21.398 22.793 1.00 0.00 H new ATOM 0 HD3 LYS B 41 16.147 21.024 23.351 1.00 0.00 H new ATOM 0 HE2 LYS B 41 16.401 23.185 21.948 1.00 0.00 H new ATOM 0 HE3 LYS B 41 15.513 23.339 23.450 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 17.376 25.020 22.948 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 17.302 24.359 24.511 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 18.444 23.778 23.397 1.00 0.00 H new ATOM 1947 N THR B 42 17.876 20.539 28.609 1.00 0.00 N ATOM 1948 CA THR B 42 17.627 21.313 29.854 1.00 0.00 C ATOM 1949 C THR B 42 18.875 21.251 30.734 1.00 0.00 C ATOM 1950 O THR B 42 19.204 22.189 31.433 1.00 0.00 O ATOM 1951 CB THR B 42 16.441 20.705 30.607 1.00 0.00 C ATOM 1952 OG1 THR B 42 15.422 20.353 29.682 1.00 0.00 O ATOM 1953 CG2 THR B 42 15.894 21.723 31.606 1.00 0.00 C ATOM 0 H THR B 42 17.509 19.587 28.610 1.00 0.00 H new ATOM 0 HA THR B 42 17.401 22.350 29.605 1.00 0.00 H new ATOM 0 HB THR B 42 16.770 19.814 31.141 1.00 0.00 H new ATOM 0 HG1 THR B 42 15.527 19.414 29.421 1.00 0.00 H new ATOM 0 HG21 THR B 42 15.050 21.289 32.142 1.00 0.00 H new ATOM 0 HG22 THR B 42 16.676 21.991 32.317 1.00 0.00 H new ATOM 0 HG23 THR B 42 15.566 22.616 31.073 1.00 0.00 H new ATOM 1961 N LEU B 43 19.576 20.151 30.699 1.00 0.00 N ATOM 1962 CA LEU B 43 20.809 20.024 31.526 1.00 0.00 C ATOM 1963 C LEU B 43 21.924 20.847 30.884 1.00 0.00 C ATOM 1964 O LEU B 43 22.672 21.530 31.554 1.00 0.00 O ATOM 1965 CB LEU B 43 21.228 18.554 31.600 1.00 0.00 C ATOM 1966 CG LEU B 43 21.774 18.248 32.996 1.00 0.00 C ATOM 1967 CD1 LEU B 43 20.641 17.740 33.888 1.00 0.00 C ATOM 1968 CD2 LEU B 43 22.862 17.176 32.896 1.00 0.00 C ATOM 0 H LEU B 43 19.348 19.334 30.133 1.00 0.00 H new ATOM 0 HA LEU B 43 20.617 20.390 32.535 1.00 0.00 H new ATOM 0 HB2 LEU B 43 20.376 17.911 31.382 1.00 0.00 H new ATOM 0 HB3 LEU B 43 21.987 18.343 30.847 1.00 0.00 H new ATOM 0 HG LEU B 43 22.196 19.156 33.426 1.00 0.00 H new ATOM 0 HD11 LEU B 43 21.031 17.522 34.882 1.00 0.00 H new ATOM 0 HD12 LEU B 43 19.866 18.503 33.961 1.00 0.00 H new ATOM 0 HD13 LEU B 43 20.218 16.833 33.457 1.00 0.00 H new ATOM 0 HD21 LEU B 43 23.251 16.958 33.891 1.00 0.00 H new ATOM 0 HD22 LEU B 43 22.440 16.268 32.465 1.00 0.00 H new ATOM 0 HD23 LEU B 43 23.671 17.537 32.261 1.00 0.00 H new ATOM 1980 N ALA B 44 22.031 20.795 29.585 1.00 0.00 N ATOM 1981 CA ALA B 44 23.087 21.582 28.890 1.00 0.00 C ATOM 1982 C ALA B 44 22.677 23.054 28.877 1.00 0.00 C ATOM 1983 O ALA B 44 23.490 23.941 29.047 1.00 0.00 O ATOM 1984 CB ALA B 44 23.230 21.082 27.452 1.00 0.00 C ATOM 0 H ALA B 44 21.431 20.240 28.974 1.00 0.00 H new ATOM 0 HA ALA B 44 24.038 21.466 29.409 1.00 0.00 H new ATOM 0 HB1 ALA B 44 24.003 21.657 26.942 1.00 0.00 H new ATOM 0 HB2 ALA B 44 23.508 20.028 27.459 1.00 0.00 H new ATOM 0 HB3 ALA B 44 22.282 21.204 26.928 1.00 0.00 H new ATOM 1990 N SER B 45 21.415 23.313 28.682 1.00 0.00 N ATOM 1991 CA SER B 45 20.927 24.720 28.662 1.00 0.00 C ATOM 1992 C SER B 45 19.664 24.820 29.522 1.00 0.00 C ATOM 1993 O SER B 45 18.564 24.854 29.004 1.00 0.00 O ATOM 1994 CB SER B 45 20.602 25.128 27.224 1.00 0.00 C ATOM 1995 OG SER B 45 21.439 24.405 26.330 1.00 0.00 O ATOM 0 H SER B 45 20.695 22.605 28.535 1.00 0.00 H new ATOM 0 HA SER B 45 21.696 25.384 29.057 1.00 0.00 H new ATOM 0 HB2 SER B 45 19.554 24.925 27.004 1.00 0.00 H new ATOM 0 HB3 SER B 45 20.753 26.200 27.095 1.00 0.00 H new ATOM 0 HG SER B 45 21.232 24.663 25.407 1.00 0.00 H new ATOM 2001 N PRO B 46 19.863 24.851 30.814 1.00 0.00 N ATOM 2002 CA PRO B 46 18.760 24.932 31.790 1.00 0.00 C ATOM 2003 C PRO B 46 18.230 26.364 31.906 1.00 0.00 C ATOM 2004 O PRO B 46 17.194 26.698 31.366 1.00 0.00 O ATOM 2005 CB PRO B 46 19.413 24.493 33.104 1.00 0.00 C ATOM 2006 CG PRO B 46 20.933 24.734 32.940 1.00 0.00 C ATOM 2007 CD PRO B 46 21.208 24.800 31.425 1.00 0.00 C ATOM 0 HA PRO B 46 17.904 24.318 31.509 1.00 0.00 H new ATOM 0 HB2 PRO B 46 19.018 25.065 33.944 1.00 0.00 H new ATOM 0 HB3 PRO B 46 19.206 23.442 33.308 1.00 0.00 H new ATOM 0 HG2 PRO B 46 21.233 25.661 33.429 1.00 0.00 H new ATOM 0 HG3 PRO B 46 21.505 23.930 33.403 1.00 0.00 H new ATOM 0 HD2 PRO B 46 21.797 25.680 31.165 1.00 0.00 H new ATOM 0 HD3 PRO B 46 21.768 23.929 31.084 1.00 0.00 H new