USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=13 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+ -175:sc= 0 (180deg=-0.0351) USER MOD Single : A 22 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -3.42 K(o=-3.4,f=-9.9!) USER MOD Single : A 31 SER OG : rot -38:sc= 0.164 USER MOD Single : A 32 GLN : amide:sc= -0.441 X(o=-0.44,f=-0.063) USER MOD Single : A 37 ASN : amide:sc= -2.28! C(o=-2.3!,f=-8.8!) USER MOD Single : A 38 THR OG1 : rot 87:sc= 1.25 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -106:sc= 0.909 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= -0.0974 K(o=-0.097,f=-1.9) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 ASN :FLIP amide:sc= -2.6 F(o=-6.2!,f=-2.6) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 32 GLN :FLIP amide:sc= -0.0904 F(o=-1.1,f=-0.09) USER MOD Single : B 37 ASN : amide:sc= -1.34 K(o=-1.3,f=-2.9!) USER MOD Single : B 38 THR OG1 : rot 87:sc= 0.776 USER MOD Single : B 41 LYS NZ :NH3+ 175:sc= -0.271 (180deg=-0.316) USER MOD Single : B 42 THR OG1 : rot 92:sc= 1.28 USER MOD Single : B 45 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 261 N VAL A 16 -0.476 3.933 2.716 1.00 0.00 N ATOM 262 CA VAL A 16 -1.233 5.203 2.511 1.00 0.00 C ATOM 263 C VAL A 16 -0.242 6.366 2.408 1.00 0.00 C ATOM 264 O VAL A 16 0.814 6.341 3.002 1.00 0.00 O ATOM 265 CB VAL A 16 -2.169 5.443 3.699 1.00 0.00 C ATOM 266 CG1 VAL A 16 -3.304 6.375 3.275 1.00 0.00 C ATOM 267 CG2 VAL A 16 -2.753 4.108 4.167 1.00 0.00 C ATOM 0 HA VAL A 16 -1.821 5.132 1.596 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.609 5.901 4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.970 6.546 4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.889 7.326 2.943 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.864 5.919 2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.419 4.279 5.013 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.312 3.650 3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.944 3.444 4.471 1.00 0.00 H new ATOM 277 N GLU A 17 -0.572 7.383 1.658 1.00 0.00 N ATOM 278 CA GLU A 17 0.356 8.544 1.518 1.00 0.00 C ATOM 279 C GLU A 17 0.537 9.227 2.874 1.00 0.00 C ATOM 280 O GLU A 17 1.595 9.728 3.190 1.00 0.00 O ATOM 281 CB GLU A 17 -0.231 9.546 0.520 1.00 0.00 C ATOM 282 CG GLU A 17 -1.707 9.786 0.847 1.00 0.00 C ATOM 283 CD GLU A 17 -2.195 11.043 0.121 1.00 0.00 C ATOM 284 OE1 GLU A 17 -1.802 12.125 0.523 1.00 0.00 O ATOM 285 OE2 GLU A 17 -2.954 10.900 -0.823 1.00 0.00 O ATOM 0 H GLU A 17 -1.445 7.461 1.136 1.00 0.00 H new ATOM 0 HA GLU A 17 1.323 8.191 1.159 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.320 10.485 0.565 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.130 9.165 -0.496 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.302 8.924 0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.838 9.901 1.923 1.00 0.00 H new ATOM 292 N ILE A 18 -0.493 9.257 3.672 1.00 0.00 N ATOM 293 CA ILE A 18 -0.390 9.912 5.006 1.00 0.00 C ATOM 294 C ILE A 18 0.548 9.104 5.906 1.00 0.00 C ATOM 295 O ILE A 18 1.427 9.645 6.544 1.00 0.00 O ATOM 296 CB ILE A 18 -1.777 9.970 5.646 1.00 0.00 C ATOM 297 CG1 ILE A 18 -2.728 10.744 4.729 1.00 0.00 C ATOM 298 CG2 ILE A 18 -1.690 10.671 7.003 1.00 0.00 C ATOM 299 CD1 ILE A 18 -3.917 9.855 4.359 1.00 0.00 C ATOM 0 H ILE A 18 -1.405 8.855 3.457 1.00 0.00 H new ATOM 0 HA ILE A 18 0.005 10.921 4.885 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.153 8.957 5.789 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.077 11.647 5.229 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.203 11.061 3.828 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.680 10.711 7.456 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.014 10.118 7.655 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.313 11.685 6.865 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.594 10.406 3.706 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.559 8.965 3.842 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.447 9.560 5.265 1.00 0.00 H new ATOM 311 N LEU A 19 0.361 7.815 5.965 1.00 0.00 N ATOM 312 CA LEU A 19 1.234 6.969 6.829 1.00 0.00 C ATOM 313 C LEU A 19 2.652 6.934 6.254 1.00 0.00 C ATOM 314 O LEU A 19 3.617 6.763 6.970 1.00 0.00 O ATOM 315 CB LEU A 19 0.669 5.546 6.883 1.00 0.00 C ATOM 316 CG LEU A 19 -0.533 5.509 7.829 1.00 0.00 C ATOM 317 CD1 LEU A 19 -1.822 5.699 7.026 1.00 0.00 C ATOM 318 CD2 LEU A 19 -0.576 4.158 8.546 1.00 0.00 C ATOM 0 H LEU A 19 -0.360 7.309 5.451 1.00 0.00 H new ATOM 0 HA LEU A 19 1.264 7.389 7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.370 5.224 5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.436 4.852 7.225 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.441 6.309 8.563 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.678 5.673 7.700 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.793 6.661 6.514 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.914 4.899 6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.432 4.131 9.220 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.668 3.359 7.811 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.341 4.021 9.119 1.00 0.00 H new ATOM 330 N LYS A 20 2.786 7.099 4.968 1.00 0.00 N ATOM 331 CA LYS A 20 4.139 7.079 4.344 1.00 0.00 C ATOM 332 C LYS A 20 4.852 8.392 4.661 1.00 0.00 C ATOM 333 O LYS A 20 6.040 8.423 4.908 1.00 0.00 O ATOM 334 CB LYS A 20 3.999 6.928 2.829 1.00 0.00 C ATOM 335 CG LYS A 20 5.387 6.868 2.187 1.00 0.00 C ATOM 336 CD LYS A 20 6.128 5.628 2.689 1.00 0.00 C ATOM 337 CE LYS A 20 7.420 6.054 3.388 1.00 0.00 C ATOM 338 NZ LYS A 20 8.156 4.845 3.852 1.00 0.00 N ATOM 0 H LYS A 20 2.013 7.248 4.319 1.00 0.00 H new ATOM 0 HA LYS A 20 4.715 6.242 4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.439 6.023 2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.435 7.766 2.421 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.296 6.836 1.101 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.952 7.767 2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.496 5.068 3.379 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.355 4.964 1.855 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.042 6.632 2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.191 6.701 4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.990 5.136 4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.532 4.267 4.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.460 4.287 3.029 1.00 0.00 H new ATOM 352 N GLU A 21 4.129 9.476 4.664 1.00 0.00 N ATOM 353 CA GLU A 21 4.754 10.788 4.975 1.00 0.00 C ATOM 354 C GLU A 21 4.962 10.882 6.485 1.00 0.00 C ATOM 355 O GLU A 21 5.842 11.569 6.960 1.00 0.00 O ATOM 356 CB GLU A 21 3.833 11.918 4.513 1.00 0.00 C ATOM 357 CG GLU A 21 4.232 12.362 3.104 1.00 0.00 C ATOM 358 CD GLU A 21 4.989 13.688 3.183 1.00 0.00 C ATOM 359 OE1 GLU A 21 4.552 14.552 3.925 1.00 0.00 O ATOM 360 OE2 GLU A 21 5.991 13.817 2.501 1.00 0.00 O ATOM 0 H GLU A 21 3.129 9.509 4.464 1.00 0.00 H new ATOM 0 HA GLU A 21 5.711 10.877 4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.796 11.581 4.519 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.899 12.759 5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.857 11.602 2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.344 12.474 2.481 1.00 0.00 H new ATOM 367 N GLN A 22 4.159 10.184 7.238 1.00 0.00 N ATOM 368 CA GLN A 22 4.306 10.215 8.717 1.00 0.00 C ATOM 369 C GLN A 22 5.477 9.317 9.110 1.00 0.00 C ATOM 370 O GLN A 22 6.195 9.591 10.049 1.00 0.00 O ATOM 371 CB GLN A 22 3.020 9.699 9.368 1.00 0.00 C ATOM 372 CG GLN A 22 2.411 10.797 10.241 1.00 0.00 C ATOM 373 CD GLN A 22 1.106 10.292 10.860 1.00 0.00 C ATOM 374 OE1 GLN A 22 0.128 9.923 10.079 1.00 0.00 O flip ATOM 375 NE2 GLN A 22 0.975 10.232 12.067 1.00 0.00 N flip ATOM 0 H GLN A 22 3.405 9.592 6.890 1.00 0.00 H new ATOM 0 HA GLN A 22 4.492 11.235 9.054 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.309 9.394 8.600 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.234 8.817 9.972 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.111 11.083 11.026 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.221 11.688 9.643 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.739 10.520 12.678 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.101 9.893 12.469 1.00 0.00 H new ATOM 384 N ILE A 23 5.683 8.252 8.384 1.00 0.00 N ATOM 385 CA ILE A 23 6.817 7.344 8.701 1.00 0.00 C ATOM 386 C ILE A 23 8.113 8.002 8.232 1.00 0.00 C ATOM 387 O ILE A 23 9.124 7.951 8.902 1.00 0.00 O ATOM 388 CB ILE A 23 6.621 6.007 7.983 1.00 0.00 C ATOM 389 CG1 ILE A 23 7.807 5.086 8.281 1.00 0.00 C ATOM 390 CG2 ILE A 23 6.527 6.244 6.476 1.00 0.00 C ATOM 391 CD1 ILE A 23 7.328 3.888 9.102 1.00 0.00 C ATOM 0 H ILE A 23 5.114 7.973 7.585 1.00 0.00 H new ATOM 0 HA ILE A 23 6.863 7.162 9.775 1.00 0.00 H new ATOM 0 HB ILE A 23 5.701 5.540 8.335 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.259 4.745 7.350 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.576 5.631 8.828 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.387 5.291 5.966 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.681 6.897 6.262 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.446 6.713 6.123 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.172 3.232 9.315 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.896 4.239 10.039 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.574 3.339 8.538 1.00 0.00 H new ATOM 403 N ARG A 24 8.085 8.640 7.093 1.00 0.00 N ATOM 404 CA ARG A 24 9.309 9.322 6.593 1.00 0.00 C ATOM 405 C ARG A 24 9.509 10.601 7.402 1.00 0.00 C ATOM 406 O ARG A 24 10.613 11.069 7.583 1.00 0.00 O ATOM 407 CB ARG A 24 9.141 9.664 5.110 1.00 0.00 C ATOM 408 CG ARG A 24 8.126 10.797 4.956 1.00 0.00 C ATOM 409 CD ARG A 24 8.864 12.123 4.775 1.00 0.00 C ATOM 410 NE ARG A 24 9.423 12.193 3.396 1.00 0.00 N ATOM 411 CZ ARG A 24 10.625 12.660 3.202 1.00 0.00 C ATOM 412 NH1 ARG A 24 11.665 11.929 3.500 1.00 0.00 N ATOM 413 NH2 ARG A 24 10.788 13.859 2.711 1.00 0.00 N ATOM 0 H ARG A 24 7.267 8.717 6.489 1.00 0.00 H new ATOM 0 HA ARG A 24 10.176 8.670 6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.099 9.961 4.684 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.806 8.785 4.559 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.481 10.608 4.098 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.482 10.844 5.834 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.184 12.957 4.946 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.665 12.209 5.509 1.00 0.00 H new ATOM 0 HE ARG A 24 8.865 11.876 2.603 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.537 10.993 3.884 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.605 12.294 3.348 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.975 14.430 2.479 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.728 14.224 2.559 1.00 0.00 H new ATOM 427 N GLU A 25 8.442 11.155 7.908 1.00 0.00 N ATOM 428 CA GLU A 25 8.559 12.390 8.730 1.00 0.00 C ATOM 429 C GLU A 25 8.992 11.985 10.134 1.00 0.00 C ATOM 430 O GLU A 25 9.628 12.735 10.845 1.00 0.00 O ATOM 431 CB GLU A 25 7.204 13.101 8.791 1.00 0.00 C ATOM 432 CG GLU A 25 7.002 13.922 7.517 1.00 0.00 C ATOM 433 CD GLU A 25 8.078 15.004 7.433 1.00 0.00 C ATOM 434 OE1 GLU A 25 8.020 15.934 8.221 1.00 0.00 O ATOM 435 OE2 GLU A 25 8.944 14.885 6.581 1.00 0.00 O ATOM 0 H GLU A 25 7.492 10.804 7.787 1.00 0.00 H new ATOM 0 HA GLU A 25 9.290 13.069 8.290 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.402 12.370 8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.161 13.750 9.666 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.053 13.274 6.642 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.012 14.378 7.518 1.00 0.00 H new ATOM 442 N LEU A 26 8.665 10.786 10.527 1.00 0.00 N ATOM 443 CA LEU A 26 9.071 10.304 11.871 1.00 0.00 C ATOM 444 C LEU A 26 10.517 9.830 11.781 1.00 0.00 C ATOM 445 O LEU A 26 11.260 9.879 12.737 1.00 0.00 O ATOM 446 CB LEU A 26 8.172 9.142 12.296 1.00 0.00 C ATOM 447 CG LEU A 26 7.265 9.592 13.444 1.00 0.00 C ATOM 448 CD1 LEU A 26 8.115 10.203 14.559 1.00 0.00 C ATOM 449 CD2 LEU A 26 6.273 10.637 12.929 1.00 0.00 C ATOM 0 H LEU A 26 8.131 10.118 9.971 1.00 0.00 H new ATOM 0 HA LEU A 26 8.978 11.103 12.606 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.569 8.807 11.452 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.780 8.294 12.610 1.00 0.00 H new ATOM 0 HG LEU A 26 6.720 8.732 13.834 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.468 10.523 15.376 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.822 9.459 14.926 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.661 11.063 14.171 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.626 10.958 13.746 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.819 11.496 12.539 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.666 10.202 12.135 1.00 0.00 H new ATOM 461 N VAL A 27 10.921 9.389 10.620 1.00 0.00 N ATOM 462 CA VAL A 27 12.324 8.930 10.438 1.00 0.00 C ATOM 463 C VAL A 27 13.207 10.160 10.252 1.00 0.00 C ATOM 464 O VAL A 27 14.341 10.196 10.683 1.00 0.00 O ATOM 465 CB VAL A 27 12.410 8.035 9.199 1.00 0.00 C ATOM 466 CG1 VAL A 27 13.876 7.810 8.826 1.00 0.00 C ATOM 467 CG2 VAL A 27 11.752 6.688 9.504 1.00 0.00 C ATOM 0 H VAL A 27 10.335 9.328 9.787 1.00 0.00 H new ATOM 0 HA VAL A 27 12.655 8.361 11.307 1.00 0.00 H new ATOM 0 HB VAL A 27 11.896 8.517 8.367 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.933 7.173 7.944 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.348 8.769 8.612 1.00 0.00 H new ATOM 0 HG13 VAL A 27 14.393 7.328 9.656 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.811 6.047 8.624 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.269 6.211 10.336 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.707 6.845 9.769 1.00 0.00 H new ATOM 477 N GLU A 28 12.680 11.180 9.633 1.00 0.00 N ATOM 478 CA GLU A 28 13.467 12.425 9.437 1.00 0.00 C ATOM 479 C GLU A 28 13.431 13.216 10.741 1.00 0.00 C ATOM 480 O GLU A 28 14.358 13.918 11.084 1.00 0.00 O ATOM 481 CB GLU A 28 12.848 13.258 8.314 1.00 0.00 C ATOM 482 CG GLU A 28 13.833 13.359 7.148 1.00 0.00 C ATOM 483 CD GLU A 28 13.351 12.478 5.993 1.00 0.00 C ATOM 484 OE1 GLU A 28 12.195 12.088 6.014 1.00 0.00 O ATOM 485 OE2 GLU A 28 14.145 12.211 5.107 1.00 0.00 O ATOM 0 H GLU A 28 11.733 11.203 9.254 1.00 0.00 H new ATOM 0 HA GLU A 28 14.495 12.183 9.166 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.917 12.800 7.979 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.599 14.254 8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.918 14.395 6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.826 13.045 7.469 1.00 0.00 H new ATOM 492 N LYS A 29 12.364 13.082 11.479 1.00 0.00 N ATOM 493 CA LYS A 29 12.255 13.797 12.776 1.00 0.00 C ATOM 494 C LYS A 29 13.122 13.064 13.794 1.00 0.00 C ATOM 495 O LYS A 29 13.709 13.662 14.668 1.00 0.00 O ATOM 496 CB LYS A 29 10.798 13.797 13.244 1.00 0.00 C ATOM 497 CG LYS A 29 10.013 14.864 12.480 1.00 0.00 C ATOM 498 CD LYS A 29 10.460 16.253 12.937 1.00 0.00 C ATOM 499 CE LYS A 29 10.117 16.443 14.417 1.00 0.00 C ATOM 500 NZ LYS A 29 11.340 16.852 15.164 1.00 0.00 N ATOM 0 H LYS A 29 11.560 12.504 11.236 1.00 0.00 H new ATOM 0 HA LYS A 29 12.588 14.829 12.669 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.353 12.816 13.079 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.750 13.993 14.315 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.176 14.752 11.408 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.944 14.739 12.655 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.533 16.369 12.784 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.968 17.020 12.338 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.341 17.201 14.527 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.719 15.516 14.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.106 16.981 16.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 12.067 16.115 15.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.701 17.746 14.775 1.00 0.00 H new ATOM 514 N ASN A 30 13.215 11.768 13.669 1.00 0.00 N ATOM 515 CA ASN A 30 14.056 10.985 14.613 1.00 0.00 C ATOM 516 C ASN A 30 15.523 11.190 14.244 1.00 0.00 C ATOM 517 O ASN A 30 16.381 11.263 15.096 1.00 0.00 O ATOM 518 CB ASN A 30 13.706 9.499 14.510 1.00 0.00 C ATOM 519 CG ASN A 30 13.836 8.843 15.886 1.00 0.00 C ATOM 520 OD1 ASN A 30 12.877 8.774 16.630 1.00 0.00 O ATOM 521 ND2 ASN A 30 14.988 8.356 16.258 1.00 0.00 N ATOM 0 H ASN A 30 12.743 11.218 12.951 1.00 0.00 H new ATOM 0 HA ASN A 30 13.876 11.321 15.634 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.690 9.380 14.134 1.00 0.00 H new ATOM 0 HB3 ASN A 30 14.369 9.008 13.798 1.00 0.00 H new ATOM 0 HD21 ASN A 30 15.084 7.917 17.174 1.00 0.00 H new ATOM 0 HD22 ASN A 30 15.792 8.414 15.633 1.00 0.00 H new ATOM 528 N SER A 31 15.813 11.296 12.976 1.00 0.00 N ATOM 529 CA SER A 31 17.223 11.509 12.553 1.00 0.00 C ATOM 530 C SER A 31 17.624 12.946 12.887 1.00 0.00 C ATOM 531 O SER A 31 18.757 13.229 13.219 1.00 0.00 O ATOM 532 CB SER A 31 17.351 11.277 11.048 1.00 0.00 C ATOM 533 OG SER A 31 16.679 12.319 10.353 1.00 0.00 O ATOM 0 H SER A 31 15.134 11.244 12.217 1.00 0.00 H new ATOM 0 HA SER A 31 17.876 10.810 13.076 1.00 0.00 H new ATOM 0 HB2 SER A 31 18.402 11.252 10.761 1.00 0.00 H new ATOM 0 HB3 SER A 31 16.924 10.311 10.780 1.00 0.00 H new ATOM 0 HG SER A 31 15.856 12.553 10.831 1.00 0.00 H new ATOM 539 N GLN A 32 16.692 13.854 12.808 1.00 0.00 N ATOM 540 CA GLN A 32 17.003 15.273 13.126 1.00 0.00 C ATOM 541 C GLN A 32 17.132 15.428 14.639 1.00 0.00 C ATOM 542 O GLN A 32 17.953 16.176 15.128 1.00 0.00 O ATOM 543 CB GLN A 32 15.873 16.170 12.615 1.00 0.00 C ATOM 544 CG GLN A 32 15.905 16.213 11.086 1.00 0.00 C ATOM 545 CD GLN A 32 14.620 16.861 10.566 1.00 0.00 C ATOM 546 OE1 GLN A 32 14.114 16.485 9.527 1.00 0.00 O ATOM 547 NE2 GLN A 32 14.067 17.826 11.248 1.00 0.00 N ATOM 0 H GLN A 32 15.726 13.673 12.536 1.00 0.00 H new ATOM 0 HA GLN A 32 17.938 15.562 12.646 1.00 0.00 H new ATOM 0 HB2 GLN A 32 14.910 15.791 12.958 1.00 0.00 H new ATOM 0 HB3 GLN A 32 15.982 17.176 13.020 1.00 0.00 H new ATOM 0 HG2 GLN A 32 16.773 16.778 10.746 1.00 0.00 H new ATOM 0 HG3 GLN A 32 16.004 15.204 10.685 1.00 0.00 H new ATOM 0 HE21 GLN A 32 14.491 18.142 12.120 1.00 0.00 H new ATOM 0 HE22 GLN A 32 13.211 18.264 10.909 1.00 0.00 H new ATOM 556 N LEU A 33 16.329 14.722 15.386 1.00 0.00 N ATOM 557 CA LEU A 33 16.413 14.829 16.867 1.00 0.00 C ATOM 558 C LEU A 33 17.527 13.916 17.373 1.00 0.00 C ATOM 559 O LEU A 33 18.032 14.090 18.461 1.00 0.00 O ATOM 560 CB LEU A 33 15.075 14.443 17.505 1.00 0.00 C ATOM 561 CG LEU A 33 14.688 13.018 17.109 1.00 0.00 C ATOM 562 CD1 LEU A 33 15.383 12.031 18.043 1.00 0.00 C ATOM 563 CD2 LEU A 33 13.172 12.858 17.241 1.00 0.00 C ATOM 0 H LEU A 33 15.621 14.078 15.035 1.00 0.00 H new ATOM 0 HA LEU A 33 16.637 15.859 17.144 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.147 14.519 18.590 1.00 0.00 H new ATOM 0 HB3 LEU A 33 14.299 15.139 17.187 1.00 0.00 H new ATOM 0 HG LEU A 33 14.991 12.824 16.080 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.110 11.013 17.765 1.00 0.00 H new ATOM 0 HD12 LEU A 33 16.463 12.152 17.962 1.00 0.00 H new ATOM 0 HD13 LEU A 33 15.073 12.222 19.070 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.887 11.844 16.960 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.875 13.046 18.273 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.672 13.570 16.584 1.00 0.00 H new ATOM 575 N GLU A 34 17.947 12.967 16.581 1.00 0.00 N ATOM 576 CA GLU A 34 19.062 12.088 17.021 1.00 0.00 C ATOM 577 C GLU A 34 20.358 12.850 16.760 1.00 0.00 C ATOM 578 O GLU A 34 21.338 12.709 17.462 1.00 0.00 O ATOM 579 CB GLU A 34 19.044 10.762 16.243 1.00 0.00 C ATOM 580 CG GLU A 34 19.741 10.923 14.887 1.00 0.00 C ATOM 581 CD GLU A 34 21.205 10.496 15.009 1.00 0.00 C ATOM 582 OE1 GLU A 34 21.812 10.815 16.018 1.00 0.00 O ATOM 583 OE2 GLU A 34 21.692 9.858 14.092 1.00 0.00 O ATOM 0 H GLU A 34 17.568 12.765 15.656 1.00 0.00 H new ATOM 0 HA GLU A 34 18.967 11.840 18.078 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.542 9.986 16.824 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.015 10.436 16.093 1.00 0.00 H new ATOM 0 HG2 GLU A 34 19.237 10.318 14.133 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.680 11.960 14.556 1.00 0.00 H new ATOM 590 N ARG A 35 20.345 13.685 15.755 1.00 0.00 N ATOM 591 CA ARG A 35 21.547 14.495 15.439 1.00 0.00 C ATOM 592 C ARG A 35 21.588 15.681 16.398 1.00 0.00 C ATOM 593 O ARG A 35 22.634 16.084 16.860 1.00 0.00 O ATOM 594 CB ARG A 35 21.461 15.000 13.998 1.00 0.00 C ATOM 595 CG ARG A 35 22.805 15.603 13.589 1.00 0.00 C ATOM 596 CD ARG A 35 23.512 14.656 12.619 1.00 0.00 C ATOM 597 NE ARG A 35 23.632 15.310 11.287 1.00 0.00 N ATOM 598 CZ ARG A 35 24.294 14.722 10.330 1.00 0.00 C ATOM 599 NH1 ARG A 35 23.746 13.742 9.664 1.00 0.00 N ATOM 600 NH2 ARG A 35 25.504 15.111 10.039 1.00 0.00 N ATOM 0 H ARG A 35 19.547 13.838 15.139 1.00 0.00 H new ATOM 0 HA ARG A 35 22.449 13.892 15.547 1.00 0.00 H new ATOM 0 HB2 ARG A 35 21.199 14.180 13.329 1.00 0.00 H new ATOM 0 HB3 ARG A 35 20.673 15.748 13.910 1.00 0.00 H new ATOM 0 HG2 ARG A 35 22.652 16.575 13.120 1.00 0.00 H new ATOM 0 HG3 ARG A 35 23.425 15.768 14.470 1.00 0.00 H new ATOM 0 HD2 ARG A 35 24.500 14.399 13.000 1.00 0.00 H new ATOM 0 HD3 ARG A 35 22.952 13.725 12.530 1.00 0.00 H new ATOM 0 HE ARG A 35 23.197 16.218 11.123 1.00 0.00 H new ATOM 0 HH11 ARG A 35 22.800 13.436 9.892 1.00 0.00 H new ATOM 0 HH12 ARG A 35 24.264 13.282 8.915 1.00 0.00 H new ATOM 0 HH21 ARG A 35 25.933 15.876 10.560 1.00 0.00 H new ATOM 0 HH22 ARG A 35 26.021 14.651 9.290 1.00 0.00 H new ATOM 614 N GLU A 36 20.448 16.232 16.716 1.00 0.00 N ATOM 615 CA GLU A 36 20.414 17.376 17.663 1.00 0.00 C ATOM 616 C GLU A 36 20.640 16.835 19.073 1.00 0.00 C ATOM 617 O GLU A 36 21.198 17.496 19.923 1.00 0.00 O ATOM 618 CB GLU A 36 19.053 18.072 17.588 1.00 0.00 C ATOM 619 CG GLU A 36 19.215 19.437 16.914 1.00 0.00 C ATOM 620 CD GLU A 36 18.700 20.533 17.849 1.00 0.00 C ATOM 621 OE1 GLU A 36 17.659 20.330 18.450 1.00 0.00 O ATOM 622 OE2 GLU A 36 19.356 21.558 17.948 1.00 0.00 O ATOM 0 H GLU A 36 19.539 15.937 16.359 1.00 0.00 H new ATOM 0 HA GLU A 36 21.189 18.099 17.407 1.00 0.00 H new ATOM 0 HB2 GLU A 36 18.349 17.458 17.026 1.00 0.00 H new ATOM 0 HB3 GLU A 36 18.640 18.195 18.589 1.00 0.00 H new ATOM 0 HG2 GLU A 36 20.263 19.613 16.673 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.664 19.458 15.974 1.00 0.00 H new ATOM 629 N ASN A 37 20.228 15.621 19.313 1.00 0.00 N ATOM 630 CA ASN A 37 20.435 15.012 20.653 1.00 0.00 C ATOM 631 C ASN A 37 21.892 14.572 20.753 1.00 0.00 C ATOM 632 O ASN A 37 22.487 14.592 21.809 1.00 0.00 O ATOM 633 CB ASN A 37 19.517 13.799 20.821 1.00 0.00 C ATOM 634 CG ASN A 37 19.666 13.240 22.236 1.00 0.00 C ATOM 635 OD1 ASN A 37 18.990 13.673 23.148 1.00 0.00 O ATOM 636 ND2 ASN A 37 20.532 12.288 22.459 1.00 0.00 N ATOM 0 H ASN A 37 19.755 15.024 18.635 1.00 0.00 H new ATOM 0 HA ASN A 37 20.202 15.735 21.435 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.481 14.085 20.639 1.00 0.00 H new ATOM 0 HB3 ASN A 37 19.770 13.034 20.087 1.00 0.00 H new ATOM 0 HD21 ASN A 37 20.641 11.908 23.399 1.00 0.00 H new ATOM 0 HD22 ASN A 37 21.099 11.925 21.693 1.00 0.00 H new ATOM 643 N THR A 38 22.474 14.192 19.649 1.00 0.00 N ATOM 644 CA THR A 38 23.900 13.776 19.668 1.00 0.00 C ATOM 645 C THR A 38 24.761 15.036 19.738 1.00 0.00 C ATOM 646 O THR A 38 25.850 15.033 20.274 1.00 0.00 O ATOM 647 CB THR A 38 24.228 12.997 18.393 1.00 0.00 C ATOM 648 OG1 THR A 38 23.620 11.715 18.454 1.00 0.00 O ATOM 649 CG2 THR A 38 25.743 12.841 18.264 1.00 0.00 C ATOM 0 H THR A 38 22.022 14.152 18.736 1.00 0.00 H new ATOM 0 HA THR A 38 24.095 13.136 20.528 1.00 0.00 H new ATOM 0 HB THR A 38 23.847 13.539 17.527 1.00 0.00 H new ATOM 0 HG1 THR A 38 22.703 11.771 18.112 1.00 0.00 H new ATOM 0 HG21 THR A 38 25.976 12.286 17.355 1.00 0.00 H new ATOM 0 HG22 THR A 38 26.207 13.826 18.216 1.00 0.00 H new ATOM 0 HG23 THR A 38 26.128 12.300 19.128 1.00 0.00 H new ATOM 657 N LEU A 39 24.260 16.119 19.209 1.00 0.00 N ATOM 658 CA LEU A 39 25.023 17.394 19.247 1.00 0.00 C ATOM 659 C LEU A 39 24.893 18.002 20.642 1.00 0.00 C ATOM 660 O LEU A 39 25.805 18.621 21.148 1.00 0.00 O ATOM 661 CB LEU A 39 24.450 18.362 18.210 1.00 0.00 C ATOM 662 CG LEU A 39 25.541 18.746 17.211 1.00 0.00 C ATOM 663 CD1 LEU A 39 25.503 17.789 16.019 1.00 0.00 C ATOM 664 CD2 LEU A 39 25.301 20.176 16.722 1.00 0.00 C ATOM 0 H LEU A 39 23.350 16.173 18.750 1.00 0.00 H new ATOM 0 HA LEU A 39 26.073 17.207 19.020 1.00 0.00 H new ATOM 0 HB2 LEU A 39 23.612 17.899 17.689 1.00 0.00 H new ATOM 0 HB3 LEU A 39 24.064 19.254 18.704 1.00 0.00 H new ATOM 0 HG LEU A 39 26.515 18.684 17.696 1.00 0.00 H new ATOM 0 HD11 LEU A 39 26.281 18.064 15.307 1.00 0.00 H new ATOM 0 HD12 LEU A 39 25.671 16.769 16.366 1.00 0.00 H new ATOM 0 HD13 LEU A 39 24.529 17.851 15.534 1.00 0.00 H new ATOM 0 HD21 LEU A 39 26.078 20.452 16.009 1.00 0.00 H new ATOM 0 HD22 LEU A 39 24.326 20.236 16.238 1.00 0.00 H new ATOM 0 HD23 LEU A 39 25.327 20.860 17.570 1.00 0.00 H new ATOM 676 N LEU A 40 23.767 17.817 21.275 1.00 0.00 N ATOM 677 CA LEU A 40 23.584 18.371 22.643 1.00 0.00 C ATOM 678 C LEU A 40 24.270 17.440 23.639 1.00 0.00 C ATOM 679 O LEU A 40 24.756 17.860 24.668 1.00 0.00 O ATOM 680 CB LEU A 40 22.090 18.465 22.968 1.00 0.00 C ATOM 681 CG LEU A 40 21.699 19.933 23.152 1.00 0.00 C ATOM 682 CD1 LEU A 40 22.450 20.515 24.351 1.00 0.00 C ATOM 683 CD2 LEU A 40 22.064 20.722 21.892 1.00 0.00 C ATOM 0 H LEU A 40 22.967 17.306 20.903 1.00 0.00 H new ATOM 0 HA LEU A 40 24.020 19.368 22.703 1.00 0.00 H new ATOM 0 HB2 LEU A 40 21.503 18.019 22.165 1.00 0.00 H new ATOM 0 HB3 LEU A 40 21.868 17.902 23.875 1.00 0.00 H new ATOM 0 HG LEU A 40 20.625 20.002 23.326 1.00 0.00 H new ATOM 0 HD11 LEU A 40 22.172 21.561 24.482 1.00 0.00 H new ATOM 0 HD12 LEU A 40 22.191 19.955 25.249 1.00 0.00 H new ATOM 0 HD13 LEU A 40 23.524 20.445 24.177 1.00 0.00 H new ATOM 0 HD21 LEU A 40 21.785 21.767 22.024 1.00 0.00 H new ATOM 0 HD22 LEU A 40 23.138 20.652 21.717 1.00 0.00 H new ATOM 0 HD23 LEU A 40 21.529 20.309 21.037 1.00 0.00 H new ATOM 695 N LYS A 41 24.329 16.175 23.325 1.00 0.00 N ATOM 696 CA LYS A 41 24.999 15.210 24.237 1.00 0.00 C ATOM 697 C LYS A 41 26.508 15.417 24.133 1.00 0.00 C ATOM 698 O LYS A 41 27.228 15.335 25.107 1.00 0.00 O ATOM 699 CB LYS A 41 24.646 13.780 23.820 1.00 0.00 C ATOM 700 CG LYS A 41 24.879 12.831 24.998 1.00 0.00 C ATOM 701 CD LYS A 41 25.392 11.488 24.475 1.00 0.00 C ATOM 702 CE LYS A 41 24.446 10.372 24.921 1.00 0.00 C ATOM 703 NZ LYS A 41 25.233 9.286 25.570 1.00 0.00 N ATOM 0 H LYS A 41 23.941 15.769 22.474 1.00 0.00 H new ATOM 0 HA LYS A 41 24.668 15.371 25.263 1.00 0.00 H new ATOM 0 HB2 LYS A 41 23.605 13.730 23.500 1.00 0.00 H new ATOM 0 HB3 LYS A 41 25.256 13.477 22.969 1.00 0.00 H new ATOM 0 HG2 LYS A 41 25.601 13.264 25.691 1.00 0.00 H new ATOM 0 HG3 LYS A 41 23.952 12.688 25.553 1.00 0.00 H new ATOM 0 HD2 LYS A 41 25.458 11.510 23.387 1.00 0.00 H new ATOM 0 HD3 LYS A 41 26.397 11.299 24.851 1.00 0.00 H new ATOM 0 HE2 LYS A 41 23.705 10.765 25.617 1.00 0.00 H new ATOM 0 HE3 LYS A 41 23.901 9.978 24.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 24.591 8.526 25.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 25.924 8.905 24.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 25.734 9.667 26.398 1.00 0.00 H new ATOM 717 N THR A 42 26.991 15.698 22.953 1.00 0.00 N ATOM 718 CA THR A 42 28.451 15.925 22.781 1.00 0.00 C ATOM 719 C THR A 42 28.808 17.305 23.336 1.00 0.00 C ATOM 720 O THR A 42 29.835 17.490 23.957 1.00 0.00 O ATOM 721 CB THR A 42 28.809 15.861 21.294 1.00 0.00 C ATOM 722 OG1 THR A 42 27.792 16.502 20.536 1.00 0.00 O ATOM 723 CG2 THR A 42 28.929 14.401 20.857 1.00 0.00 C ATOM 0 H THR A 42 26.436 15.780 22.101 1.00 0.00 H new ATOM 0 HA THR A 42 29.009 15.157 23.316 1.00 0.00 H new ATOM 0 HB THR A 42 29.761 16.366 21.128 1.00 0.00 H new ATOM 0 HG1 THR A 42 27.249 15.826 20.080 1.00 0.00 H new ATOM 0 HG21 THR A 42 29.184 14.358 19.798 1.00 0.00 H new ATOM 0 HG22 THR A 42 29.710 13.910 21.438 1.00 0.00 H new ATOM 0 HG23 THR A 42 27.979 13.892 21.023 1.00 0.00 H new ATOM 731 N LEU A 43 27.960 18.274 23.124 1.00 0.00 N ATOM 732 CA LEU A 43 28.242 19.642 23.643 1.00 0.00 C ATOM 733 C LEU A 43 28.177 19.619 25.171 1.00 0.00 C ATOM 734 O LEU A 43 28.907 20.317 25.844 1.00 0.00 O ATOM 735 CB LEU A 43 27.199 20.620 23.099 1.00 0.00 C ATOM 736 CG LEU A 43 27.769 22.039 23.121 1.00 0.00 C ATOM 737 CD1 LEU A 43 29.067 22.082 22.311 1.00 0.00 C ATOM 738 CD2 LEU A 43 26.752 23.003 22.507 1.00 0.00 C ATOM 0 H LEU A 43 27.083 18.177 22.613 1.00 0.00 H new ATOM 0 HA LEU A 43 29.234 19.961 23.323 1.00 0.00 H new ATOM 0 HB2 LEU A 43 26.922 20.344 22.082 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.291 20.572 23.701 1.00 0.00 H new ATOM 0 HG LEU A 43 27.975 22.333 24.150 1.00 0.00 H new ATOM 0 HD11 LEU A 43 29.473 23.094 22.327 1.00 0.00 H new ATOM 0 HD12 LEU A 43 29.791 21.394 22.747 1.00 0.00 H new ATOM 0 HD13 LEU A 43 28.863 21.789 21.281 1.00 0.00 H new ATOM 0 HD21 LEU A 43 27.156 24.015 22.521 1.00 0.00 H new ATOM 0 HD22 LEU A 43 26.547 22.709 21.478 1.00 0.00 H new ATOM 0 HD23 LEU A 43 25.828 22.973 23.084 1.00 0.00 H new ATOM 750 N ALA A 44 27.315 18.810 25.721 1.00 0.00 N ATOM 751 CA ALA A 44 27.209 18.729 27.203 1.00 0.00 C ATOM 752 C ALA A 44 28.087 17.581 27.703 1.00 0.00 C ATOM 753 O ALA A 44 28.020 17.189 28.851 1.00 0.00 O ATOM 754 CB ALA A 44 25.754 18.472 27.600 1.00 0.00 C ATOM 0 H ALA A 44 26.679 18.201 25.207 1.00 0.00 H new ATOM 0 HA ALA A 44 27.541 19.667 27.648 1.00 0.00 H new ATOM 0 HB1 ALA A 44 25.678 18.413 28.686 1.00 0.00 H new ATOM 0 HB2 ALA A 44 25.128 19.287 27.236 1.00 0.00 H new ATOM 0 HB3 ALA A 44 25.418 17.533 27.161 1.00 0.00 H new ATOM 760 N SER A 45 28.910 17.038 26.846 1.00 0.00 N ATOM 761 CA SER A 45 29.795 15.916 27.265 1.00 0.00 C ATOM 762 C SER A 45 30.958 16.456 28.102 1.00 0.00 C ATOM 763 O SER A 45 31.208 15.976 29.189 1.00 0.00 O ATOM 764 CB SER A 45 30.344 15.210 26.024 1.00 0.00 C ATOM 765 OG SER A 45 29.971 13.839 26.060 1.00 0.00 O ATOM 0 H SER A 45 29.007 17.325 25.872 1.00 0.00 H new ATOM 0 HA SER A 45 29.220 15.209 27.864 1.00 0.00 H new ATOM 0 HB2 SER A 45 29.955 15.681 25.121 1.00 0.00 H new ATOM 0 HB3 SER A 45 31.429 15.303 25.989 1.00 0.00 H new ATOM 0 HG SER A 45 30.320 13.384 25.265 1.00 0.00 H new ATOM 771 N PRO A 46 31.639 17.440 27.569 1.00 0.00 N ATOM 772 CA PRO A 46 32.789 18.063 28.249 1.00 0.00 C ATOM 773 C PRO A 46 32.306 19.035 29.331 1.00 0.00 C ATOM 774 O PRO A 46 32.677 18.928 30.483 1.00 0.00 O ATOM 775 CB PRO A 46 33.514 18.805 27.122 1.00 0.00 C ATOM 776 CG PRO A 46 32.467 19.037 26.007 1.00 0.00 C ATOM 777 CD PRO A 46 31.331 18.023 26.246 1.00 0.00 C ATOM 0 HA PRO A 46 33.432 17.344 28.756 1.00 0.00 H new ATOM 0 HB2 PRO A 46 33.918 19.752 27.478 1.00 0.00 H new ATOM 0 HB3 PRO A 46 34.355 18.220 26.750 1.00 0.00 H new ATOM 0 HG2 PRO A 46 32.087 20.058 26.040 1.00 0.00 H new ATOM 0 HG3 PRO A 46 32.912 18.894 25.022 1.00 0.00 H new ATOM 0 HD2 PRO A 46 30.356 18.509 26.242 1.00 0.00 H new ATOM 0 HD3 PRO A 46 31.309 17.259 25.469 1.00 0.00 H new ATOM 1507 N GLU B 17 -0.606 -3.848 10.711 1.00 0.00 N ATOM 1508 CA GLU B 17 0.371 -4.129 11.802 1.00 0.00 C ATOM 1509 C GLU B 17 1.749 -3.586 11.411 1.00 0.00 C ATOM 1510 O GLU B 17 2.461 -3.029 12.222 1.00 0.00 O ATOM 1511 CB GLU B 17 0.466 -5.641 12.017 1.00 0.00 C ATOM 1512 CG GLU B 17 0.631 -5.939 13.507 1.00 0.00 C ATOM 1513 CD GLU B 17 0.867 -7.438 13.700 1.00 0.00 C ATOM 1514 OE1 GLU B 17 0.922 -8.140 12.705 1.00 0.00 O ATOM 1515 OE2 GLU B 17 0.987 -7.856 14.840 1.00 0.00 O ATOM 0 HA GLU B 17 0.038 -3.646 12.721 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -0.431 -6.130 11.635 1.00 0.00 H new ATOM 0 HB3 GLU B 17 1.311 -6.045 11.459 1.00 0.00 H new ATOM 0 HG2 GLU B 17 1.469 -5.372 13.912 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -0.259 -5.626 14.053 1.00 0.00 H new ATOM 1522 N ILE B 18 2.132 -3.754 10.174 1.00 0.00 N ATOM 1523 CA ILE B 18 3.466 -3.257 9.731 1.00 0.00 C ATOM 1524 C ILE B 18 3.489 -1.728 9.767 1.00 0.00 C ATOM 1525 O ILE B 18 4.523 -1.122 9.964 1.00 0.00 O ATOM 1526 CB ILE B 18 3.741 -3.736 8.304 1.00 0.00 C ATOM 1527 CG1 ILE B 18 2.654 -3.201 7.368 1.00 0.00 C ATOM 1528 CG2 ILE B 18 3.736 -5.265 8.268 1.00 0.00 C ATOM 1529 CD1 ILE B 18 2.921 -3.690 5.943 1.00 0.00 C ATOM 0 H ILE B 18 1.579 -4.214 9.451 1.00 0.00 H new ATOM 0 HA ILE B 18 4.233 -3.644 10.402 1.00 0.00 H new ATOM 0 HB ILE B 18 4.714 -3.368 7.980 1.00 0.00 H new ATOM 0 HG12 ILE B 18 1.673 -3.539 7.702 1.00 0.00 H new ATOM 0 HG13 ILE B 18 2.641 -2.111 7.393 1.00 0.00 H new ATOM 0 HG21 ILE B 18 3.932 -5.606 7.251 1.00 0.00 H new ATOM 0 HG22 ILE B 18 4.510 -5.647 8.934 1.00 0.00 H new ATOM 0 HG23 ILE B 18 2.763 -5.633 8.593 1.00 0.00 H new ATOM 0 HD11 ILE B 18 2.147 -3.309 5.277 1.00 0.00 H new ATOM 0 HD12 ILE B 18 3.895 -3.330 5.611 1.00 0.00 H new ATOM 0 HD13 ILE B 18 2.912 -4.780 5.925 1.00 0.00 H new ATOM 1541 N LEU B 19 2.362 -1.098 9.570 1.00 0.00 N ATOM 1542 CA LEU B 19 2.331 0.393 9.586 1.00 0.00 C ATOM 1543 C LEU B 19 2.328 0.897 11.031 1.00 0.00 C ATOM 1544 O LEU B 19 3.108 1.746 11.400 1.00 0.00 O ATOM 1545 CB LEU B 19 1.068 0.887 8.876 1.00 0.00 C ATOM 1546 CG LEU B 19 1.164 0.582 7.381 1.00 0.00 C ATOM 1547 CD1 LEU B 19 -0.232 0.283 6.832 1.00 0.00 C ATOM 1548 CD2 LEU B 19 1.750 1.792 6.651 1.00 0.00 C ATOM 0 H LEU B 19 1.464 -1.550 9.399 1.00 0.00 H new ATOM 0 HA LEU B 19 3.214 0.774 9.072 1.00 0.00 H new ATOM 0 HB2 LEU B 19 0.188 0.403 9.300 1.00 0.00 H new ATOM 0 HB3 LEU B 19 0.948 1.959 9.031 1.00 0.00 H new ATOM 0 HG LEU B 19 1.809 -0.283 7.227 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -0.165 0.065 5.766 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -0.651 -0.578 7.352 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -0.876 1.149 6.986 1.00 0.00 H new ATOM 0 HD21 LEU B 19 1.819 1.575 5.585 1.00 0.00 H new ATOM 0 HD22 LEU B 19 1.105 2.657 6.805 1.00 0.00 H new ATOM 0 HD23 LEU B 19 2.744 2.007 7.043 1.00 0.00 H new ATOM 1560 N LYS B 20 1.449 0.384 11.845 1.00 0.00 N ATOM 1561 CA LYS B 20 1.391 0.837 13.263 1.00 0.00 C ATOM 1562 C LYS B 20 2.646 0.366 13.997 1.00 0.00 C ATOM 1563 O LYS B 20 3.025 0.912 15.011 1.00 0.00 O ATOM 1564 CB LYS B 20 0.144 0.251 13.936 1.00 0.00 C ATOM 1565 CG LYS B 20 0.376 -1.227 14.258 1.00 0.00 C ATOM 1566 CD LYS B 20 0.668 -1.382 15.751 1.00 0.00 C ATOM 1567 CE LYS B 20 1.103 -2.819 16.042 1.00 0.00 C ATOM 1568 NZ LYS B 20 0.079 -3.482 16.897 1.00 0.00 N ATOM 0 H LYS B 20 0.767 -0.330 11.590 1.00 0.00 H new ATOM 0 HA LYS B 20 1.340 1.925 13.299 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -0.080 0.801 14.850 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -0.719 0.359 13.280 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -0.502 -1.812 13.985 1.00 0.00 H new ATOM 0 HG3 LYS B 20 1.210 -1.612 13.671 1.00 0.00 H new ATOM 0 HD2 LYS B 20 1.451 -0.686 16.053 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -0.220 -1.135 16.333 1.00 0.00 H new ATOM 0 HE2 LYS B 20 1.226 -3.370 15.109 1.00 0.00 H new ATOM 0 HE3 LYS B 20 2.070 -2.823 16.544 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 0.373 -4.460 17.096 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -0.017 -2.960 17.792 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -0.835 -3.490 16.401 1.00 0.00 H new ATOM 1582 N GLU B 21 3.296 -0.642 13.485 1.00 0.00 N ATOM 1583 CA GLU B 21 4.531 -1.148 14.144 1.00 0.00 C ATOM 1584 C GLU B 21 5.688 -0.203 13.828 1.00 0.00 C ATOM 1585 O GLU B 21 6.489 0.120 14.680 1.00 0.00 O ATOM 1586 CB GLU B 21 4.857 -2.544 13.612 1.00 0.00 C ATOM 1587 CG GLU B 21 6.002 -3.147 14.427 1.00 0.00 C ATOM 1588 CD GLU B 21 5.434 -3.862 15.653 1.00 0.00 C ATOM 1589 OE1 GLU B 21 4.805 -3.199 16.462 1.00 0.00 O ATOM 1590 OE2 GLU B 21 5.635 -5.060 15.762 1.00 0.00 O ATOM 0 H GLU B 21 3.024 -1.138 12.636 1.00 0.00 H new ATOM 0 HA GLU B 21 4.378 -1.198 15.222 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.976 -3.183 13.674 1.00 0.00 H new ATOM 0 HB3 GLU B 21 5.136 -2.488 12.560 1.00 0.00 H new ATOM 0 HG2 GLU B 21 6.569 -3.848 13.814 1.00 0.00 H new ATOM 0 HG3 GLU B 21 6.693 -2.364 14.738 1.00 0.00 H new ATOM 1597 N GLN B 22 5.778 0.247 12.608 1.00 0.00 N ATOM 1598 CA GLN B 22 6.879 1.176 12.235 1.00 0.00 C ATOM 1599 C GLN B 22 6.577 2.564 12.804 1.00 0.00 C ATOM 1600 O GLN B 22 7.469 3.321 13.130 1.00 0.00 O ATOM 1601 CB GLN B 22 6.989 1.256 10.711 1.00 0.00 C ATOM 1602 CG GLN B 22 7.378 -0.115 10.153 1.00 0.00 C ATOM 1603 CD GLN B 22 8.509 0.048 9.136 1.00 0.00 C ATOM 1604 OE1 GLN B 22 8.506 0.973 8.349 1.00 0.00 O ATOM 1605 NE2 GLN B 22 9.483 -0.821 9.117 1.00 0.00 N ATOM 0 H GLN B 22 5.135 0.011 11.852 1.00 0.00 H new ATOM 0 HA GLN B 22 7.822 0.811 12.642 1.00 0.00 H new ATOM 0 HB2 GLN B 22 6.039 1.578 10.284 1.00 0.00 H new ATOM 0 HB3 GLN B 22 7.734 2.000 10.428 1.00 0.00 H new ATOM 0 HG2 GLN B 22 7.695 -0.772 10.963 1.00 0.00 H new ATOM 0 HG3 GLN B 22 6.515 -0.585 9.681 1.00 0.00 H new ATOM 0 HE21 GLN B 22 9.486 -1.598 9.778 1.00 0.00 H new ATOM 0 HE22 GLN B 22 10.241 -0.723 8.441 1.00 0.00 H new ATOM 1614 N ILE B 23 5.323 2.899 12.937 1.00 0.00 N ATOM 1615 CA ILE B 23 4.963 4.232 13.492 1.00 0.00 C ATOM 1616 C ILE B 23 5.084 4.182 15.014 1.00 0.00 C ATOM 1617 O ILE B 23 5.407 5.160 15.653 1.00 0.00 O ATOM 1618 CB ILE B 23 3.527 4.580 13.099 1.00 0.00 C ATOM 1619 CG1 ILE B 23 3.459 4.828 11.591 1.00 0.00 C ATOM 1620 CG2 ILE B 23 3.086 5.842 13.842 1.00 0.00 C ATOM 1621 CD1 ILE B 23 4.352 6.016 11.233 1.00 0.00 C ATOM 0 H ILE B 23 4.532 2.306 12.685 1.00 0.00 H new ATOM 0 HA ILE B 23 5.634 4.993 13.094 1.00 0.00 H new ATOM 0 HB ILE B 23 2.867 3.754 13.363 1.00 0.00 H new ATOM 0 HG12 ILE B 23 3.783 3.939 11.050 1.00 0.00 H new ATOM 0 HG13 ILE B 23 2.431 5.028 11.290 1.00 0.00 H new ATOM 0 HG21 ILE B 23 2.062 6.090 13.562 1.00 0.00 H new ATOM 0 HG22 ILE B 23 3.136 5.668 14.917 1.00 0.00 H new ATOM 0 HG23 ILE B 23 3.745 6.669 13.578 1.00 0.00 H new ATOM 0 HD11 ILE B 23 4.306 6.195 10.159 1.00 0.00 H new ATOM 0 HD12 ILE B 23 4.007 6.903 11.764 1.00 0.00 H new ATOM 0 HD13 ILE B 23 5.381 5.798 11.520 1.00 0.00 H new ATOM 1633 N ARG B 24 4.840 3.039 15.598 1.00 0.00 N ATOM 1634 CA ARG B 24 4.957 2.918 17.076 1.00 0.00 C ATOM 1635 C ARG B 24 6.434 2.780 17.437 1.00 0.00 C ATOM 1636 O ARG B 24 6.880 3.222 18.477 1.00 0.00 O ATOM 1637 CB ARG B 24 4.190 1.686 17.560 1.00 0.00 C ATOM 1638 CG ARG B 24 3.826 1.864 19.034 1.00 0.00 C ATOM 1639 CD ARG B 24 4.837 1.117 19.905 1.00 0.00 C ATOM 1640 NE ARG B 24 4.154 0.604 21.125 1.00 0.00 N ATOM 1641 CZ ARG B 24 4.773 -0.229 21.915 1.00 0.00 C ATOM 1642 NH1 ARG B 24 5.948 0.076 22.393 1.00 0.00 N ATOM 1643 NH2 ARG B 24 4.216 -1.366 22.229 1.00 0.00 N ATOM 0 H ARG B 24 4.565 2.185 15.113 1.00 0.00 H new ATOM 0 HA ARG B 24 4.536 3.802 17.555 1.00 0.00 H new ATOM 0 HB2 ARG B 24 3.287 1.548 16.965 1.00 0.00 H new ATOM 0 HB3 ARG B 24 4.798 0.791 17.429 1.00 0.00 H new ATOM 0 HG2 ARG B 24 3.820 2.923 19.292 1.00 0.00 H new ATOM 0 HG3 ARG B 24 2.821 1.485 19.219 1.00 0.00 H new ATOM 0 HD2 ARG B 24 5.275 0.291 19.345 1.00 0.00 H new ATOM 0 HD3 ARG B 24 5.654 1.782 20.185 1.00 0.00 H new ATOM 0 HE ARG B 24 3.204 0.904 21.342 1.00 0.00 H new ATOM 0 HH11 ARG B 24 6.383 0.966 22.149 1.00 0.00 H new ATOM 0 HH12 ARG B 24 6.432 -0.575 23.011 1.00 0.00 H new ATOM 0 HH21 ARG B 24 3.297 -1.603 21.857 1.00 0.00 H new ATOM 0 HH22 ARG B 24 4.700 -2.018 22.847 1.00 0.00 H new ATOM 1657 N GLU B 25 7.203 2.183 16.569 1.00 0.00 N ATOM 1658 CA GLU B 25 8.656 2.028 16.838 1.00 0.00 C ATOM 1659 C GLU B 25 9.339 3.361 16.545 1.00 0.00 C ATOM 1660 O GLU B 25 10.299 3.736 17.185 1.00 0.00 O ATOM 1661 CB GLU B 25 9.237 0.940 15.931 1.00 0.00 C ATOM 1662 CG GLU B 25 9.786 -0.204 16.787 1.00 0.00 C ATOM 1663 CD GLU B 25 10.663 -1.113 15.923 1.00 0.00 C ATOM 1664 OE1 GLU B 25 11.536 -0.592 15.247 1.00 0.00 O ATOM 1665 OE2 GLU B 25 10.448 -2.313 15.953 1.00 0.00 O ATOM 0 H GLU B 25 6.884 1.795 15.681 1.00 0.00 H new ATOM 0 HA GLU B 25 8.818 1.741 17.877 1.00 0.00 H new ATOM 0 HB2 GLU B 25 8.467 0.566 15.256 1.00 0.00 H new ATOM 0 HB3 GLU B 25 10.030 1.356 15.310 1.00 0.00 H new ATOM 0 HG2 GLU B 25 10.367 0.196 17.618 1.00 0.00 H new ATOM 0 HG3 GLU B 25 8.965 -0.776 17.218 1.00 0.00 H new ATOM 1672 N LEU B 26 8.833 4.088 15.585 1.00 0.00 N ATOM 1673 CA LEU B 26 9.434 5.407 15.255 1.00 0.00 C ATOM 1674 C LEU B 26 8.938 6.436 16.268 1.00 0.00 C ATOM 1675 O LEU B 26 9.614 7.395 16.576 1.00 0.00 O ATOM 1676 CB LEU B 26 9.018 5.826 13.846 1.00 0.00 C ATOM 1677 CG LEU B 26 10.092 5.391 12.848 1.00 0.00 C ATOM 1678 CD1 LEU B 26 11.389 6.155 13.126 1.00 0.00 C ATOM 1679 CD2 LEU B 26 10.345 3.888 12.997 1.00 0.00 C ATOM 0 H LEU B 26 8.029 3.823 15.016 1.00 0.00 H new ATOM 0 HA LEU B 26 10.521 5.341 15.295 1.00 0.00 H new ATOM 0 HB2 LEU B 26 8.061 5.373 13.588 1.00 0.00 H new ATOM 0 HB3 LEU B 26 8.881 6.906 13.802 1.00 0.00 H new ATOM 0 HG LEU B 26 9.754 5.606 11.834 1.00 0.00 H new ATOM 0 HD11 LEU B 26 12.154 5.844 12.414 1.00 0.00 H new ATOM 0 HD12 LEU B 26 11.210 7.225 13.022 1.00 0.00 H new ATOM 0 HD13 LEU B 26 11.728 5.940 14.140 1.00 0.00 H new ATOM 0 HD21 LEU B 26 11.110 3.576 12.286 1.00 0.00 H new ATOM 0 HD22 LEU B 26 10.683 3.675 14.011 1.00 0.00 H new ATOM 0 HD23 LEU B 26 9.422 3.342 12.800 1.00 0.00 H new ATOM 1691 N VAL B 27 7.766 6.230 16.806 1.00 0.00 N ATOM 1692 CA VAL B 27 7.238 7.182 17.819 1.00 0.00 C ATOM 1693 C VAL B 27 7.845 6.815 19.172 1.00 0.00 C ATOM 1694 O VAL B 27 8.006 7.646 20.039 1.00 0.00 O ATOM 1695 CB VAL B 27 5.709 7.090 17.883 1.00 0.00 C ATOM 1696 CG1 VAL B 27 5.298 5.819 18.627 1.00 0.00 C ATOM 1697 CG2 VAL B 27 5.159 8.312 18.620 1.00 0.00 C ATOM 0 H VAL B 27 7.154 5.444 16.587 1.00 0.00 H new ATOM 0 HA VAL B 27 7.504 8.205 17.551 1.00 0.00 H new ATOM 0 HB VAL B 27 5.306 7.060 16.871 1.00 0.00 H new ATOM 0 HG11 VAL B 27 4.211 5.758 18.670 1.00 0.00 H new ATOM 0 HG12 VAL B 27 5.690 4.948 18.102 1.00 0.00 H new ATOM 0 HG13 VAL B 27 5.700 5.844 19.640 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.072 8.250 18.667 1.00 0.00 H new ATOM 0 HG22 VAL B 27 5.565 8.340 19.631 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.448 9.218 18.088 1.00 0.00 H new ATOM 1707 N GLU B 28 8.207 5.572 19.343 1.00 0.00 N ATOM 1708 CA GLU B 28 8.833 5.146 20.623 1.00 0.00 C ATOM 1709 C GLU B 28 10.300 5.566 20.588 1.00 0.00 C ATOM 1710 O GLU B 28 10.873 5.956 21.585 1.00 0.00 O ATOM 1711 CB GLU B 28 8.732 3.625 20.767 1.00 0.00 C ATOM 1712 CG GLU B 28 9.285 3.199 22.129 1.00 0.00 C ATOM 1713 CD GLU B 28 10.786 2.933 22.012 1.00 0.00 C ATOM 1714 OE1 GLU B 28 11.245 2.712 20.902 1.00 0.00 O ATOM 1715 OE2 GLU B 28 11.453 2.954 23.033 1.00 0.00 O ATOM 0 H GLU B 28 8.095 4.833 18.649 1.00 0.00 H new ATOM 0 HA GLU B 28 8.325 5.609 21.469 1.00 0.00 H new ATOM 0 HB2 GLU B 28 7.693 3.309 20.670 1.00 0.00 H new ATOM 0 HB3 GLU B 28 9.290 3.136 19.968 1.00 0.00 H new ATOM 0 HG2 GLU B 28 9.100 3.979 22.868 1.00 0.00 H new ATOM 0 HG3 GLU B 28 8.772 2.302 22.477 1.00 0.00 H new ATOM 1722 N LYS B 29 10.904 5.509 19.431 1.00 0.00 N ATOM 1723 CA LYS B 29 12.325 5.924 19.306 1.00 0.00 C ATOM 1724 C LYS B 29 12.382 7.448 19.366 1.00 0.00 C ATOM 1725 O LYS B 29 13.264 8.025 19.966 1.00 0.00 O ATOM 1726 CB LYS B 29 12.887 5.441 17.967 1.00 0.00 C ATOM 1727 CG LYS B 29 14.403 5.281 18.083 1.00 0.00 C ATOM 1728 CD LYS B 29 14.756 3.794 18.120 1.00 0.00 C ATOM 1729 CE LYS B 29 15.445 3.401 16.813 1.00 0.00 C ATOM 1730 NZ LYS B 29 14.548 2.506 16.028 1.00 0.00 N ATOM 0 H LYS B 29 10.469 5.191 18.565 1.00 0.00 H new ATOM 0 HA LYS B 29 12.917 5.491 20.112 1.00 0.00 H new ATOM 0 HB2 LYS B 29 12.430 4.491 17.689 1.00 0.00 H new ATOM 0 HB3 LYS B 29 12.644 6.154 17.179 1.00 0.00 H new ATOM 0 HG2 LYS B 29 14.896 5.762 17.238 1.00 0.00 H new ATOM 0 HG3 LYS B 29 14.764 5.774 18.986 1.00 0.00 H new ATOM 0 HD2 LYS B 29 15.411 3.586 18.966 1.00 0.00 H new ATOM 0 HD3 LYS B 29 13.854 3.199 18.261 1.00 0.00 H new ATOM 0 HE2 LYS B 29 15.685 4.293 16.233 1.00 0.00 H new ATOM 0 HE3 LYS B 29 16.387 2.895 17.024 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 15.016 2.238 15.139 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 14.341 1.650 16.581 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 13.660 3.004 15.815 1.00 0.00 H new ATOM 1744 N ASN B 30 11.427 8.099 18.764 1.00 0.00 N ATOM 1745 CA ASN B 30 11.396 9.585 18.798 1.00 0.00 C ATOM 1746 C ASN B 30 11.143 10.021 20.241 1.00 0.00 C ATOM 1747 O ASN B 30 11.773 10.924 20.753 1.00 0.00 O ATOM 1748 CB ASN B 30 10.266 10.090 17.895 1.00 0.00 C ATOM 1749 CG ASN B 30 9.943 11.550 18.227 1.00 0.00 C ATOM 1750 OD1 ASN B 30 10.866 12.304 18.758 1.00 0.00 O flip ATOM 1751 ND2 ASN B 30 8.841 12.007 17.999 1.00 0.00 N flip ATOM 0 H ASN B 30 10.663 7.662 18.248 1.00 0.00 H new ATOM 0 HA ASN B 30 12.341 9.997 18.443 1.00 0.00 H new ATOM 0 HB2 ASN B 30 10.559 10.003 16.849 1.00 0.00 H new ATOM 0 HB3 ASN B 30 9.378 9.473 18.030 1.00 0.00 H new ATOM 0 HD21 ASN B 30 8.120 11.417 17.584 1.00 0.00 H new ATOM 0 HD22 ASN B 30 8.637 12.981 18.223 1.00 0.00 H new ATOM 1758 N SER B 31 10.232 9.367 20.906 1.00 0.00 N ATOM 1759 CA SER B 31 9.944 9.722 22.319 1.00 0.00 C ATOM 1760 C SER B 31 11.177 9.409 23.165 1.00 0.00 C ATOM 1761 O SER B 31 11.477 10.096 24.116 1.00 0.00 O ATOM 1762 CB SER B 31 8.754 8.906 22.821 1.00 0.00 C ATOM 1763 OG SER B 31 8.694 8.990 24.239 1.00 0.00 O ATOM 0 H SER B 31 9.674 8.601 20.529 1.00 0.00 H new ATOM 0 HA SER B 31 9.703 10.782 22.394 1.00 0.00 H new ATOM 0 HB2 SER B 31 7.829 9.282 22.383 1.00 0.00 H new ATOM 0 HB3 SER B 31 8.854 7.866 22.510 1.00 0.00 H new ATOM 0 HG SER B 31 7.931 8.469 24.566 1.00 0.00 H new ATOM 1769 N GLN B 32 11.900 8.379 22.816 1.00 0.00 N ATOM 1770 CA GLN B 32 13.119 8.032 23.595 1.00 0.00 C ATOM 1771 C GLN B 32 14.140 9.157 23.439 1.00 0.00 C ATOM 1772 O GLN B 32 14.780 9.567 24.387 1.00 0.00 O ATOM 1773 CB GLN B 32 13.714 6.724 23.068 1.00 0.00 C ATOM 1774 CG GLN B 32 15.050 6.453 23.763 1.00 0.00 C ATOM 1775 CD GLN B 32 14.808 6.158 25.244 1.00 0.00 C ATOM 1776 OE1 GLN B 32 14.986 7.104 26.125 1.00 0.00 O flip ATOM 1777 NE2 GLN B 32 14.452 5.053 25.605 1.00 0.00 N flip ATOM 0 H GLN B 32 11.698 7.765 22.027 1.00 0.00 H new ATOM 0 HA GLN B 32 12.861 7.907 24.647 1.00 0.00 H new ATOM 0 HB2 GLN B 32 13.024 5.900 23.249 1.00 0.00 H new ATOM 0 HB3 GLN B 32 13.859 6.787 21.990 1.00 0.00 H new ATOM 0 HG2 GLN B 32 15.552 5.608 23.291 1.00 0.00 H new ATOM 0 HG3 GLN B 32 15.708 7.315 23.656 1.00 0.00 H new ATOM 0 HE21 GLN B 32 14.312 4.312 24.918 1.00 0.00 H new ATOM 0 HE22 GLN B 32 14.293 4.867 26.595 1.00 0.00 H new ATOM 1786 N LEU B 33 14.289 9.671 22.251 1.00 0.00 N ATOM 1787 CA LEU B 33 15.259 10.776 22.047 1.00 0.00 C ATOM 1788 C LEU B 33 14.576 12.105 22.373 1.00 0.00 C ATOM 1789 O LEU B 33 15.209 13.137 22.440 1.00 0.00 O ATOM 1790 CB LEU B 33 15.752 10.776 20.601 1.00 0.00 C ATOM 1791 CG LEU B 33 16.647 9.557 20.369 1.00 0.00 C ATOM 1792 CD1 LEU B 33 16.162 8.790 19.138 1.00 0.00 C ATOM 1793 CD2 LEU B 33 18.087 10.022 20.143 1.00 0.00 C ATOM 0 H LEU B 33 13.782 9.374 21.417 1.00 0.00 H new ATOM 0 HA LEU B 33 16.117 10.638 22.705 1.00 0.00 H new ATOM 0 HB2 LEU B 33 14.904 10.754 19.916 1.00 0.00 H new ATOM 0 HB3 LEU B 33 16.305 11.692 20.394 1.00 0.00 H new ATOM 0 HG LEU B 33 16.604 8.905 21.241 1.00 0.00 H new ATOM 0 HD11 LEU B 33 16.801 7.922 18.975 1.00 0.00 H new ATOM 0 HD12 LEU B 33 15.135 8.460 19.296 1.00 0.00 H new ATOM 0 HD13 LEU B 33 16.203 9.440 18.264 1.00 0.00 H new ATOM 0 HD21 LEU B 33 18.727 9.156 19.977 1.00 0.00 H new ATOM 0 HD22 LEU B 33 18.126 10.674 19.271 1.00 0.00 H new ATOM 0 HD23 LEU B 33 18.435 10.568 21.020 1.00 0.00 H new ATOM 1805 N GLU B 34 13.289 12.085 22.602 1.00 0.00 N ATOM 1806 CA GLU B 34 12.575 13.343 22.955 1.00 0.00 C ATOM 1807 C GLU B 34 12.792 13.611 24.444 1.00 0.00 C ATOM 1808 O GLU B 34 13.039 14.724 24.859 1.00 0.00 O ATOM 1809 CB GLU B 34 11.079 13.189 22.670 1.00 0.00 C ATOM 1810 CG GLU B 34 10.585 14.396 21.871 1.00 0.00 C ATOM 1811 CD GLU B 34 9.246 14.059 21.212 1.00 0.00 C ATOM 1812 OE1 GLU B 34 9.068 12.915 20.827 1.00 0.00 O ATOM 1813 OE2 GLU B 34 8.420 14.951 21.104 1.00 0.00 O ATOM 0 H GLU B 34 12.703 11.251 22.559 1.00 0.00 H new ATOM 0 HA GLU B 34 12.958 14.173 22.361 1.00 0.00 H new ATOM 0 HB2 GLU B 34 10.897 12.271 22.112 1.00 0.00 H new ATOM 0 HB3 GLU B 34 10.526 13.108 23.606 1.00 0.00 H new ATOM 0 HG2 GLU B 34 10.472 15.259 22.528 1.00 0.00 H new ATOM 0 HG3 GLU B 34 11.318 14.667 21.111 1.00 0.00 H new ATOM 1820 N ARG B 35 12.721 12.586 25.250 1.00 0.00 N ATOM 1821 CA ARG B 35 12.944 12.766 26.708 1.00 0.00 C ATOM 1822 C ARG B 35 14.449 12.838 26.963 1.00 0.00 C ATOM 1823 O ARG B 35 14.903 13.427 27.922 1.00 0.00 O ATOM 1824 CB ARG B 35 12.346 11.583 27.474 1.00 0.00 C ATOM 1825 CG ARG B 35 12.745 11.676 28.947 1.00 0.00 C ATOM 1826 CD ARG B 35 12.155 10.489 29.711 1.00 0.00 C ATOM 1827 NE ARG B 35 11.135 10.981 30.678 1.00 0.00 N ATOM 1828 CZ ARG B 35 10.065 10.272 30.915 1.00 0.00 C ATOM 1829 NH1 ARG B 35 10.140 8.970 30.942 1.00 0.00 N ATOM 1830 NH2 ARG B 35 8.922 10.866 31.124 1.00 0.00 N ATOM 0 H ARG B 35 12.517 11.630 24.958 1.00 0.00 H new ATOM 0 HA ARG B 35 12.463 13.683 27.048 1.00 0.00 H new ATOM 0 HB2 ARG B 35 11.260 11.586 27.379 1.00 0.00 H new ATOM 0 HB3 ARG B 35 12.700 10.644 27.049 1.00 0.00 H new ATOM 0 HG2 ARG B 35 13.831 11.679 29.041 1.00 0.00 H new ATOM 0 HG3 ARG B 35 12.385 12.612 29.374 1.00 0.00 H new ATOM 0 HD2 ARG B 35 11.702 9.783 29.015 1.00 0.00 H new ATOM 0 HD3 ARG B 35 12.944 9.954 30.239 1.00 0.00 H new ATOM 0 HE ARG B 35 11.272 11.872 31.155 1.00 0.00 H new ATOM 0 HH11 ARG B 35 11.034 8.507 30.778 1.00 0.00 H new ATOM 0 HH12 ARG B 35 9.305 8.415 31.127 1.00 0.00 H new ATOM 0 HH21 ARG B 35 8.865 11.884 31.102 1.00 0.00 H new ATOM 0 HH22 ARG B 35 8.086 10.312 31.309 1.00 0.00 H new ATOM 1844 N GLU B 36 15.228 12.249 26.096 1.00 0.00 N ATOM 1845 CA GLU B 36 16.705 12.295 26.273 1.00 0.00 C ATOM 1846 C GLU B 36 17.223 13.608 25.689 1.00 0.00 C ATOM 1847 O GLU B 36 18.192 14.170 26.156 1.00 0.00 O ATOM 1848 CB GLU B 36 17.345 11.115 25.538 1.00 0.00 C ATOM 1849 CG GLU B 36 16.847 9.803 26.146 1.00 0.00 C ATOM 1850 CD GLU B 36 17.651 9.490 27.409 1.00 0.00 C ATOM 1851 OE1 GLU B 36 18.125 10.426 28.033 1.00 0.00 O ATOM 1852 OE2 GLU B 36 17.777 8.321 27.734 1.00 0.00 O ATOM 0 H GLU B 36 14.904 11.739 25.274 1.00 0.00 H new ATOM 0 HA GLU B 36 16.959 12.233 27.331 1.00 0.00 H new ATOM 0 HB2 GLU B 36 17.095 11.155 24.478 1.00 0.00 H new ATOM 0 HB3 GLU B 36 18.431 11.173 25.612 1.00 0.00 H new ATOM 0 HG2 GLU B 36 15.787 9.880 26.387 1.00 0.00 H new ATOM 0 HG3 GLU B 36 16.952 8.992 25.425 1.00 0.00 H new ATOM 1859 N ASN B 37 16.567 14.106 24.678 1.00 0.00 N ATOM 1860 CA ASN B 37 16.998 15.391 24.062 1.00 0.00 C ATOM 1861 C ASN B 37 16.535 16.536 24.958 1.00 0.00 C ATOM 1862 O ASN B 37 17.217 17.527 25.119 1.00 0.00 O ATOM 1863 CB ASN B 37 16.370 15.532 22.673 1.00 0.00 C ATOM 1864 CG ASN B 37 16.549 16.968 22.175 1.00 0.00 C ATOM 1865 OD1 ASN B 37 17.619 17.534 22.288 1.00 0.00 O ATOM 1866 ND2 ASN B 37 15.541 17.585 21.621 1.00 0.00 N ATOM 0 H ASN B 37 15.747 13.676 24.250 1.00 0.00 H new ATOM 0 HA ASN B 37 18.083 15.413 23.961 1.00 0.00 H new ATOM 0 HB2 ASN B 37 16.837 14.834 21.978 1.00 0.00 H new ATOM 0 HB3 ASN B 37 15.310 15.279 22.714 1.00 0.00 H new ATOM 0 HD21 ASN B 37 15.651 18.541 21.283 1.00 0.00 H new ATOM 0 HD22 ASN B 37 14.643 17.111 21.526 1.00 0.00 H new ATOM 1873 N THR B 38 15.382 16.399 25.556 1.00 0.00 N ATOM 1874 CA THR B 38 14.878 17.470 26.459 1.00 0.00 C ATOM 1875 C THR B 38 15.676 17.420 27.761 1.00 0.00 C ATOM 1876 O THR B 38 15.900 18.424 28.405 1.00 0.00 O ATOM 1877 CB THR B 38 13.393 17.239 26.755 1.00 0.00 C ATOM 1878 OG1 THR B 38 12.642 17.424 25.564 1.00 0.00 O ATOM 1879 CG2 THR B 38 12.920 18.233 27.818 1.00 0.00 C ATOM 0 H THR B 38 14.768 15.591 25.457 1.00 0.00 H new ATOM 0 HA THR B 38 14.995 18.445 25.985 1.00 0.00 H new ATOM 0 HB THR B 38 13.249 16.223 27.123 1.00 0.00 H new ATOM 0 HG1 THR B 38 12.606 16.581 25.066 1.00 0.00 H new ATOM 0 HG21 THR B 38 11.863 18.067 28.027 1.00 0.00 H new ATOM 0 HG22 THR B 38 13.497 18.091 28.732 1.00 0.00 H new ATOM 0 HG23 THR B 38 13.062 19.250 27.454 1.00 0.00 H new ATOM 1887 N LEU B 39 16.115 16.251 28.145 1.00 0.00 N ATOM 1888 CA LEU B 39 16.911 16.126 29.397 1.00 0.00 C ATOM 1889 C LEU B 39 18.304 16.711 29.159 1.00 0.00 C ATOM 1890 O LEU B 39 18.838 17.421 29.986 1.00 0.00 O ATOM 1891 CB LEU B 39 17.037 14.648 29.778 1.00 0.00 C ATOM 1892 CG LEU B 39 16.164 14.353 31.001 1.00 0.00 C ATOM 1893 CD1 LEU B 39 14.778 14.974 30.807 1.00 0.00 C ATOM 1894 CD2 LEU B 39 16.021 12.840 31.168 1.00 0.00 C ATOM 0 H LEU B 39 15.956 15.377 27.644 1.00 0.00 H new ATOM 0 HA LEU B 39 16.416 16.665 30.205 1.00 0.00 H new ATOM 0 HB2 LEU B 39 16.732 14.020 28.941 1.00 0.00 H new ATOM 0 HB3 LEU B 39 18.077 14.406 29.995 1.00 0.00 H new ATOM 0 HG LEU B 39 16.631 14.779 31.889 1.00 0.00 H new ATOM 0 HD11 LEU B 39 14.159 14.762 31.679 1.00 0.00 H new ATOM 0 HD12 LEU B 39 14.876 16.053 30.685 1.00 0.00 H new ATOM 0 HD13 LEU B 39 14.310 14.550 29.919 1.00 0.00 H new ATOM 0 HD21 LEU B 39 15.400 12.627 32.038 1.00 0.00 H new ATOM 0 HD22 LEU B 39 15.555 12.418 30.278 1.00 0.00 H new ATOM 0 HD23 LEU B 39 17.006 12.395 31.308 1.00 0.00 H new ATOM 1906 N LEU B 40 18.893 16.425 28.030 1.00 0.00 N ATOM 1907 CA LEU B 40 20.247 16.975 27.738 1.00 0.00 C ATOM 1908 C LEU B 40 20.107 18.430 27.291 1.00 0.00 C ATOM 1909 O LEU B 40 21.038 19.205 27.361 1.00 0.00 O ATOM 1910 CB LEU B 40 20.905 16.159 26.622 1.00 0.00 C ATOM 1911 CG LEU B 40 21.787 15.069 27.236 1.00 0.00 C ATOM 1912 CD1 LEU B 40 21.612 13.769 26.447 1.00 0.00 C ATOM 1913 CD2 LEU B 40 23.253 15.506 27.175 1.00 0.00 C ATOM 0 H LEU B 40 18.496 15.835 27.298 1.00 0.00 H new ATOM 0 HA LEU B 40 20.866 16.921 28.634 1.00 0.00 H new ATOM 0 HB2 LEU B 40 20.141 15.709 25.988 1.00 0.00 H new ATOM 0 HB3 LEU B 40 21.504 16.811 25.986 1.00 0.00 H new ATOM 0 HG LEU B 40 21.497 14.908 28.274 1.00 0.00 H new ATOM 0 HD11 LEU B 40 22.239 12.992 26.883 1.00 0.00 H new ATOM 0 HD12 LEU B 40 20.568 13.457 26.486 1.00 0.00 H new ATOM 0 HD13 LEU B 40 21.904 13.931 25.409 1.00 0.00 H new ATOM 0 HD21 LEU B 40 23.882 14.731 27.612 1.00 0.00 H new ATOM 0 HD22 LEU B 40 23.542 15.665 26.136 1.00 0.00 H new ATOM 0 HD23 LEU B 40 23.380 16.434 27.733 1.00 0.00 H new ATOM 1925 N LYS B 41 18.943 18.807 26.844 1.00 0.00 N ATOM 1926 CA LYS B 41 18.730 20.212 26.401 1.00 0.00 C ATOM 1927 C LYS B 41 18.546 21.093 27.635 1.00 0.00 C ATOM 1928 O LYS B 41 18.980 22.227 27.674 1.00 0.00 O ATOM 1929 CB LYS B 41 17.477 20.290 25.528 1.00 0.00 C ATOM 1930 CG LYS B 41 17.847 19.995 24.074 1.00 0.00 C ATOM 1931 CD LYS B 41 17.580 21.236 23.223 1.00 0.00 C ATOM 1932 CE LYS B 41 18.426 21.175 21.951 1.00 0.00 C ATOM 1933 NZ LYS B 41 19.310 22.372 21.886 1.00 0.00 N ATOM 0 H LYS B 41 18.127 18.200 26.766 1.00 0.00 H new ATOM 0 HA LYS B 41 19.590 20.553 25.824 1.00 0.00 H new ATOM 0 HB2 LYS B 41 16.733 19.574 25.877 1.00 0.00 H new ATOM 0 HB3 LYS B 41 17.028 21.280 25.606 1.00 0.00 H new ATOM 0 HG2 LYS B 41 18.897 19.711 24.004 1.00 0.00 H new ATOM 0 HG3 LYS B 41 17.264 19.153 23.702 1.00 0.00 H new ATOM 0 HD2 LYS B 41 16.522 21.293 22.966 1.00 0.00 H new ATOM 0 HD3 LYS B 41 17.820 22.136 23.789 1.00 0.00 H new ATOM 0 HE2 LYS B 41 19.026 20.265 21.944 1.00 0.00 H new ATOM 0 HE3 LYS B 41 17.781 21.138 21.073 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 19.945 22.290 21.067 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 18.728 23.228 21.789 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 19.875 22.434 22.757 1.00 0.00 H new ATOM 1947 N THR B 42 17.906 20.573 28.646 1.00 0.00 N ATOM 1948 CA THR B 42 17.693 21.368 29.886 1.00 0.00 C ATOM 1949 C THR B 42 18.951 21.290 30.751 1.00 0.00 C ATOM 1950 O THR B 42 19.314 22.233 31.424 1.00 0.00 O ATOM 1951 CB THR B 42 16.505 20.795 30.663 1.00 0.00 C ATOM 1952 OG1 THR B 42 15.436 20.529 29.764 1.00 0.00 O ATOM 1953 CG2 THR B 42 16.050 21.802 31.718 1.00 0.00 C ATOM 0 H THR B 42 17.521 19.629 28.666 1.00 0.00 H new ATOM 0 HA THR B 42 17.487 22.406 29.626 1.00 0.00 H new ATOM 0 HB THR B 42 16.804 19.869 31.154 1.00 0.00 H new ATOM 0 HG1 THR B 42 15.493 19.601 29.453 1.00 0.00 H new ATOM 0 HG21 THR B 42 15.204 21.393 32.271 1.00 0.00 H new ATOM 0 HG22 THR B 42 16.870 22.003 32.407 1.00 0.00 H new ATOM 0 HG23 THR B 42 15.750 22.730 31.230 1.00 0.00 H new ATOM 1961 N LEU B 43 19.623 20.171 30.732 1.00 0.00 N ATOM 1962 CA LEU B 43 20.862 20.030 31.549 1.00 0.00 C ATOM 1963 C LEU B 43 21.971 20.882 30.929 1.00 0.00 C ATOM 1964 O LEU B 43 22.657 21.616 31.609 1.00 0.00 O ATOM 1965 CB LEU B 43 21.296 18.563 31.572 1.00 0.00 C ATOM 1966 CG LEU B 43 22.236 18.326 32.755 1.00 0.00 C ATOM 1967 CD1 LEU B 43 21.481 18.563 34.064 1.00 0.00 C ATOM 1968 CD2 LEU B 43 22.748 16.884 32.716 1.00 0.00 C ATOM 0 H LEU B 43 19.368 19.348 30.186 1.00 0.00 H new ATOM 0 HA LEU B 43 20.669 20.364 32.569 1.00 0.00 H new ATOM 0 HB2 LEU B 43 20.423 17.916 31.653 1.00 0.00 H new ATOM 0 HB3 LEU B 43 21.797 18.307 30.639 1.00 0.00 H new ATOM 0 HG LEU B 43 23.079 19.015 32.693 1.00 0.00 H new ATOM 0 HD11 LEU B 43 22.152 18.394 34.907 1.00 0.00 H new ATOM 0 HD12 LEU B 43 21.115 19.589 34.092 1.00 0.00 H new ATOM 0 HD13 LEU B 43 20.638 17.875 34.127 1.00 0.00 H new ATOM 0 HD21 LEU B 43 23.418 16.713 33.558 1.00 0.00 H new ATOM 0 HD22 LEU B 43 21.904 16.197 32.778 1.00 0.00 H new ATOM 0 HD23 LEU B 43 23.286 16.714 31.784 1.00 0.00 H new ATOM 1980 N ALA B 44 22.147 20.792 29.640 1.00 0.00 N ATOM 1981 CA ALA B 44 23.206 21.602 28.976 1.00 0.00 C ATOM 1982 C ALA B 44 22.727 23.050 28.864 1.00 0.00 C ATOM 1983 O ALA B 44 23.494 23.983 28.989 1.00 0.00 O ATOM 1984 CB ALA B 44 23.478 21.040 27.580 1.00 0.00 C ATOM 0 H ALA B 44 21.604 20.193 29.018 1.00 0.00 H new ATOM 0 HA ALA B 44 24.124 21.563 29.562 1.00 0.00 H new ATOM 0 HB1 ALA B 44 24.253 21.633 27.094 1.00 0.00 H new ATOM 0 HB2 ALA B 44 23.811 20.005 27.663 1.00 0.00 H new ATOM 0 HB3 ALA B 44 22.564 21.081 26.987 1.00 0.00 H new ATOM 1990 N SER B 45 21.457 23.239 28.635 1.00 0.00 N ATOM 1991 CA SER B 45 20.908 24.619 28.520 1.00 0.00 C ATOM 1992 C SER B 45 19.668 24.737 29.411 1.00 0.00 C ATOM 1993 O SER B 45 18.556 24.607 28.943 1.00 0.00 O ATOM 1994 CB SER B 45 20.520 24.895 27.068 1.00 0.00 C ATOM 1995 OG SER B 45 21.654 24.702 26.234 1.00 0.00 O ATOM 0 H SER B 45 20.772 22.492 28.522 1.00 0.00 H new ATOM 0 HA SER B 45 21.660 25.342 28.835 1.00 0.00 H new ATOM 0 HB2 SER B 45 19.712 24.230 26.763 1.00 0.00 H new ATOM 0 HB3 SER B 45 20.149 25.915 26.966 1.00 0.00 H new ATOM 0 HG SER B 45 21.408 24.877 25.302 1.00 0.00 H new ATOM 2001 N PRO B 46 19.903 24.973 30.677 1.00 0.00 N ATOM 2002 CA PRO B 46 18.826 25.105 31.674 1.00 0.00 C ATOM 2003 C PRO B 46 18.157 26.479 31.571 1.00 0.00 C ATOM 2004 O PRO B 46 16.961 26.608 31.737 1.00 0.00 O ATOM 2005 CB PRO B 46 19.555 24.949 33.010 1.00 0.00 C ATOM 2006 CG PRO B 46 21.037 25.305 32.743 1.00 0.00 C ATOM 2007 CD PRO B 46 21.264 25.135 31.230 1.00 0.00 C ATOM 0 HA PRO B 46 18.028 24.375 31.540 1.00 0.00 H new ATOM 0 HB2 PRO B 46 19.127 25.608 33.765 1.00 0.00 H new ATOM 0 HB3 PRO B 46 19.462 23.930 33.387 1.00 0.00 H new ATOM 0 HG2 PRO B 46 21.252 26.327 33.055 1.00 0.00 H new ATOM 0 HG3 PRO B 46 21.701 24.652 33.310 1.00 0.00 H new ATOM 0 HD2 PRO B 46 21.767 26.002 30.803 1.00 0.00 H new ATOM 0 HD3 PRO B 46 21.887 24.267 31.016 1.00 0.00 H new