USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=15 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 Set 1.1: B 31 SER OG : rot -59:sc= 0.822 USER MOD Set 1.2: B 32 GLN : amide:sc= -0.0196 K(o=0.8,f=-1.3!) USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= -0.541 (180deg=-1.07) USER MOD Single : A 22 GLN : amide:sc= -0.196 K(o=-0.2,f=-2.5!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN :FLIP amide:sc= -1.12 F(o=-2.6!,f=-1.1) USER MOD Single : A 31 SER OG : rot -25:sc= 0.208 USER MOD Single : A 32 GLN :FLIP amide:sc= -1.54 F(o=-3.2!,f=-1.5) USER MOD Single : A 37 ASN : amide:sc= -0.478 K(o=-0.48,f=-1.8) USER MOD Single : A 38 THR OG1 : rot 84:sc= 0.971 USER MOD Single : A 41 LYS NZ :NH3+ -146:sc= -0.213 (180deg=-1.04) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 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 :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD Single : B 29 LYS NZ :NH3+ 151:sc= -0.0382 (180deg=-0.402) USER MOD Single : B 30 ASN :FLIP amide:sc= -0.0139 F(o=-1.5,f=-0.014) USER MOD Single : B 37 ASN : amide:sc= -0.249 K(o=-0.25,f=-1.9) USER MOD Single : B 38 THR OG1 : rot 118:sc= 0.672 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 THR OG1 : rot -86:sc= 1.15 USER MOD Single : B 45 SER OG : rot -6:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 261 N VAL A 16 -0.908 4.010 2.170 1.00 0.00 N ATOM 262 CA VAL A 16 -1.423 5.316 2.673 1.00 0.00 C ATOM 263 C VAL A 16 -0.329 6.377 2.545 1.00 0.00 C ATOM 264 O VAL A 16 0.698 6.300 3.186 1.00 0.00 O ATOM 265 CB VAL A 16 -1.832 5.176 4.140 1.00 0.00 C ATOM 266 CG1 VAL A 16 -2.626 6.413 4.567 1.00 0.00 C ATOM 267 CG2 VAL A 16 -2.703 3.930 4.304 1.00 0.00 C ATOM 0 HA VAL A 16 -2.290 5.615 2.084 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.941 5.084 4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.918 6.315 5.612 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.008 7.302 4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.518 6.504 3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.997 3.826 5.349 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.594 4.025 3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.139 3.049 3.997 1.00 0.00 H new ATOM 277 N GLU A 17 -0.539 7.364 1.717 1.00 0.00 N ATOM 278 CA GLU A 17 0.494 8.424 1.546 1.00 0.00 C ATOM 279 C GLU A 17 0.647 9.203 2.852 1.00 0.00 C ATOM 280 O GLU A 17 1.699 9.730 3.152 1.00 0.00 O ATOM 281 CB GLU A 17 0.067 9.377 0.428 1.00 0.00 C ATOM 282 CG GLU A 17 -1.312 9.957 0.746 1.00 0.00 C ATOM 283 CD GLU A 17 -2.366 9.297 -0.146 1.00 0.00 C ATOM 284 OE1 GLU A 17 -1.981 8.652 -1.107 1.00 0.00 O ATOM 285 OE2 GLU A 17 -3.540 9.450 0.146 1.00 0.00 O ATOM 0 H GLU A 17 -1.380 7.482 1.152 1.00 0.00 H new ATOM 0 HA GLU A 17 1.447 7.964 1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.796 10.181 0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.039 8.847 -0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.554 9.791 1.796 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.310 11.035 0.586 1.00 0.00 H new ATOM 292 N ILE A 18 -0.394 9.277 3.633 1.00 0.00 N ATOM 293 CA ILE A 18 -0.309 10.017 4.921 1.00 0.00 C ATOM 294 C ILE A 18 0.577 9.235 5.891 1.00 0.00 C ATOM 295 O ILE A 18 1.458 9.785 6.519 1.00 0.00 O ATOM 296 CB ILE A 18 -1.711 10.173 5.508 1.00 0.00 C ATOM 297 CG1 ILE A 18 -2.559 11.024 4.559 1.00 0.00 C ATOM 298 CG2 ILE A 18 -1.625 10.864 6.871 1.00 0.00 C ATOM 299 CD1 ILE A 18 -1.901 12.394 4.374 1.00 0.00 C ATOM 0 H ILE A 18 -1.301 8.856 3.434 1.00 0.00 H new ATOM 0 HA ILE A 18 0.121 11.004 4.754 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.167 9.191 5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.658 10.524 3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.565 11.143 4.961 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.626 10.974 7.287 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.016 10.263 7.546 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.172 11.848 6.752 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.505 12.999 3.698 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.825 12.894 5.339 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.904 12.265 3.952 1.00 0.00 H new ATOM 311 N LEU A 19 0.359 7.952 6.011 1.00 0.00 N ATOM 312 CA LEU A 19 1.203 7.145 6.933 1.00 0.00 C ATOM 313 C LEU A 19 2.602 7.008 6.330 1.00 0.00 C ATOM 314 O LEU A 19 3.573 6.808 7.028 1.00 0.00 O ATOM 315 CB LEU A 19 0.581 5.759 7.128 1.00 0.00 C ATOM 316 CG LEU A 19 0.017 5.653 8.547 1.00 0.00 C ATOM 317 CD1 LEU A 19 -1.493 5.418 8.482 1.00 0.00 C ATOM 318 CD2 LEU A 19 0.682 4.484 9.277 1.00 0.00 C ATOM 0 H LEU A 19 -0.363 7.432 5.512 1.00 0.00 H new ATOM 0 HA LEU A 19 1.267 7.639 7.902 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.211 5.597 6.397 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.331 4.985 6.963 1.00 0.00 H new ATOM 0 HG LEU A 19 0.218 6.579 9.085 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.893 5.343 9.493 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.969 6.251 7.964 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.694 4.493 7.942 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.280 4.410 10.287 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.483 3.558 8.738 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.758 4.651 9.326 1.00 0.00 H new ATOM 330 N LYS A 20 2.712 7.140 5.036 1.00 0.00 N ATOM 331 CA LYS A 20 4.047 7.044 4.383 1.00 0.00 C ATOM 332 C LYS A 20 4.798 8.348 4.643 1.00 0.00 C ATOM 333 O LYS A 20 6.005 8.373 4.781 1.00 0.00 O ATOM 334 CB LYS A 20 3.866 6.847 2.875 1.00 0.00 C ATOM 335 CG LYS A 20 5.126 6.211 2.283 1.00 0.00 C ATOM 336 CD LYS A 20 5.573 7.008 1.056 1.00 0.00 C ATOM 337 CE LYS A 20 7.097 7.143 1.060 1.00 0.00 C ATOM 338 NZ LYS A 20 7.470 8.582 0.940 1.00 0.00 N ATOM 0 H LYS A 20 1.932 7.311 4.402 1.00 0.00 H new ATOM 0 HA LYS A 20 4.606 6.199 4.785 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.001 6.212 2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.670 7.805 2.394 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.922 6.194 3.028 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.927 5.176 2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.244 6.508 0.145 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.110 7.995 1.062 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.507 6.726 1.980 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.525 6.575 0.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.463 8.659 0.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.858 9.042 0.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.350 9.050 1.861 1.00 0.00 H new ATOM 352 N GLU A 21 4.080 9.433 4.730 1.00 0.00 N ATOM 353 CA GLU A 21 4.730 10.739 5.003 1.00 0.00 C ATOM 354 C GLU A 21 4.945 10.860 6.508 1.00 0.00 C ATOM 355 O GLU A 21 5.807 11.578 6.965 1.00 0.00 O ATOM 356 CB GLU A 21 3.827 11.874 4.518 1.00 0.00 C ATOM 357 CG GLU A 21 4.677 13.108 4.214 1.00 0.00 C ATOM 358 CD GLU A 21 4.473 14.151 5.314 1.00 0.00 C ATOM 359 OE1 GLU A 21 4.638 13.804 6.471 1.00 0.00 O ATOM 360 OE2 GLU A 21 4.154 15.280 4.979 1.00 0.00 O ATOM 0 H GLU A 21 3.066 9.468 4.623 1.00 0.00 H new ATOM 0 HA GLU A 21 5.685 10.802 4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.284 11.565 3.625 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.082 12.111 5.278 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.729 12.831 4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.399 13.525 3.246 1.00 0.00 H new ATOM 367 N GLN A 22 4.170 10.146 7.280 1.00 0.00 N ATOM 368 CA GLN A 22 4.334 10.201 8.756 1.00 0.00 C ATOM 369 C GLN A 22 5.515 9.317 9.143 1.00 0.00 C ATOM 370 O GLN A 22 6.255 9.614 10.057 1.00 0.00 O ATOM 371 CB GLN A 22 3.061 9.693 9.437 1.00 0.00 C ATOM 372 CG GLN A 22 2.038 10.827 9.522 1.00 0.00 C ATOM 373 CD GLN A 22 2.054 11.430 10.928 1.00 0.00 C ATOM 374 OE1 GLN A 22 2.926 11.134 11.719 1.00 0.00 O ATOM 375 NE2 GLN A 22 1.118 12.272 11.273 1.00 0.00 N ATOM 0 H GLN A 22 3.430 9.527 6.949 1.00 0.00 H new ATOM 0 HA GLN A 22 4.516 11.227 9.075 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.645 8.856 8.876 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.293 9.323 10.436 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.269 11.595 8.784 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.042 10.450 9.289 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.385 12.521 10.608 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.119 12.681 12.207 1.00 0.00 H new ATOM 384 N ILE A 23 5.707 8.237 8.435 1.00 0.00 N ATOM 385 CA ILE A 23 6.853 7.342 8.743 1.00 0.00 C ATOM 386 C ILE A 23 8.127 8.007 8.228 1.00 0.00 C ATOM 387 O ILE A 23 9.162 7.958 8.860 1.00 0.00 O ATOM 388 CB ILE A 23 6.654 5.988 8.057 1.00 0.00 C ATOM 389 CG1 ILE A 23 7.751 5.022 8.511 1.00 0.00 C ATOM 390 CG2 ILE A 23 6.725 6.168 6.541 1.00 0.00 C ATOM 391 CD1 ILE A 23 7.531 4.652 9.979 1.00 0.00 C ATOM 0 H ILE A 23 5.119 7.938 7.657 1.00 0.00 H new ATOM 0 HA ILE A 23 6.925 7.176 9.818 1.00 0.00 H new ATOM 0 HB ILE A 23 5.679 5.583 8.327 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.738 4.124 7.893 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.731 5.482 8.384 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.583 5.204 6.053 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.943 6.856 6.219 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.699 6.573 6.268 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.312 3.964 10.302 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.566 5.554 10.591 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.558 4.174 10.092 1.00 0.00 H new ATOM 403 N ARG A 24 8.051 8.651 7.096 1.00 0.00 N ATOM 404 CA ARG A 24 9.250 9.346 6.554 1.00 0.00 C ATOM 405 C ARG A 24 9.498 10.598 7.395 1.00 0.00 C ATOM 406 O ARG A 24 10.620 11.013 7.603 1.00 0.00 O ATOM 407 CB ARG A 24 8.997 9.745 5.097 1.00 0.00 C ATOM 408 CG ARG A 24 10.292 9.602 4.294 1.00 0.00 C ATOM 409 CD ARG A 24 10.020 8.784 3.028 1.00 0.00 C ATOM 410 NE ARG A 24 10.458 9.557 1.832 1.00 0.00 N ATOM 411 CZ ARG A 24 11.720 9.589 1.499 1.00 0.00 C ATOM 412 NH1 ARG A 24 12.381 8.477 1.335 1.00 0.00 N ATOM 413 NH2 ARG A 24 12.320 10.736 1.332 1.00 0.00 N ATOM 0 H ARG A 24 7.210 8.725 6.524 1.00 0.00 H new ATOM 0 HA ARG A 24 10.118 8.688 6.594 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.219 9.115 4.667 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.638 10.773 5.048 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.678 10.586 4.028 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.055 9.113 4.899 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.552 7.834 3.075 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.958 8.551 2.954 1.00 0.00 H new ATOM 0 HE ARG A 24 9.771 10.062 1.272 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.912 7.581 1.467 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.367 8.503 1.075 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.803 11.606 1.462 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.306 10.763 1.072 1.00 0.00 H new ATOM 427 N GLU A 25 8.447 11.192 7.891 1.00 0.00 N ATOM 428 CA GLU A 25 8.596 12.410 8.734 1.00 0.00 C ATOM 429 C GLU A 25 9.000 11.981 10.142 1.00 0.00 C ATOM 430 O GLU A 25 9.589 12.734 10.888 1.00 0.00 O ATOM 431 CB GLU A 25 7.266 13.164 8.787 1.00 0.00 C ATOM 432 CG GLU A 25 7.351 14.285 9.827 1.00 0.00 C ATOM 433 CD GLU A 25 8.641 15.081 9.617 1.00 0.00 C ATOM 434 OE1 GLU A 25 8.803 15.636 8.544 1.00 0.00 O ATOM 435 OE2 GLU A 25 9.444 15.120 10.534 1.00 0.00 O ATOM 0 H GLU A 25 7.486 10.883 7.747 1.00 0.00 H new ATOM 0 HA GLU A 25 9.358 13.065 8.312 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.033 13.581 7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.458 12.478 9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.487 14.943 9.739 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.330 13.865 10.833 1.00 0.00 H new ATOM 442 N LEU A 26 8.700 10.764 10.501 1.00 0.00 N ATOM 443 CA LEU A 26 9.081 10.271 11.849 1.00 0.00 C ATOM 444 C LEU A 26 10.538 9.826 11.793 1.00 0.00 C ATOM 445 O LEU A 26 11.274 9.933 12.753 1.00 0.00 O ATOM 446 CB LEU A 26 8.189 9.091 12.237 1.00 0.00 C ATOM 447 CG LEU A 26 6.997 9.603 13.047 1.00 0.00 C ATOM 448 CD1 LEU A 26 5.910 8.528 13.091 1.00 0.00 C ATOM 449 CD2 LEU A 26 7.452 9.925 14.473 1.00 0.00 C ATOM 0 H LEU A 26 8.206 10.090 9.916 1.00 0.00 H new ATOM 0 HA LEU A 26 8.956 11.058 12.592 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.841 8.574 11.343 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.757 8.368 12.822 1.00 0.00 H new ATOM 0 HG LEU A 26 6.599 10.503 12.579 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.061 8.893 13.668 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.586 8.296 12.076 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.307 7.628 13.560 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.604 10.290 15.052 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.849 9.024 14.940 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.227 10.690 14.443 1.00 0.00 H new ATOM 461 N VAL A 27 10.963 9.352 10.655 1.00 0.00 N ATOM 462 CA VAL A 27 12.377 8.928 10.503 1.00 0.00 C ATOM 463 C VAL A 27 13.217 10.180 10.273 1.00 0.00 C ATOM 464 O VAL A 27 14.370 10.250 10.644 1.00 0.00 O ATOM 465 CB VAL A 27 12.508 7.990 9.301 1.00 0.00 C ATOM 466 CG1 VAL A 27 13.967 7.558 9.147 1.00 0.00 C ATOM 467 CG2 VAL A 27 11.631 6.756 9.523 1.00 0.00 C ATOM 0 H VAL A 27 10.386 9.241 9.821 1.00 0.00 H new ATOM 0 HA VAL A 27 12.715 8.400 11.395 1.00 0.00 H new ATOM 0 HB VAL A 27 12.187 8.508 8.398 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.060 6.890 8.291 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.592 8.437 8.991 1.00 0.00 H new ATOM 0 HG13 VAL A 27 14.290 7.039 10.049 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.722 6.086 8.668 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.954 6.238 10.426 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.591 7.064 9.633 1.00 0.00 H new ATOM 477 N GLU A 28 12.627 11.183 9.678 1.00 0.00 N ATOM 478 CA GLU A 28 13.365 12.451 9.437 1.00 0.00 C ATOM 479 C GLU A 28 13.403 13.236 10.746 1.00 0.00 C ATOM 480 O GLU A 28 14.373 13.892 11.064 1.00 0.00 O ATOM 481 CB GLU A 28 12.641 13.269 8.367 1.00 0.00 C ATOM 482 CG GLU A 28 13.619 14.249 7.718 1.00 0.00 C ATOM 483 CD GLU A 28 13.315 14.357 6.222 1.00 0.00 C ATOM 484 OE1 GLU A 28 12.181 14.107 5.849 1.00 0.00 O ATOM 485 OE2 GLU A 28 14.222 14.687 5.476 1.00 0.00 O ATOM 0 H GLU A 28 11.662 11.175 9.348 1.00 0.00 H new ATOM 0 HA GLU A 28 14.378 12.241 9.094 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.220 12.606 7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.808 13.813 8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.535 15.229 8.189 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.644 13.910 7.868 1.00 0.00 H new ATOM 492 N LYS A 29 12.354 13.150 11.517 1.00 0.00 N ATOM 493 CA LYS A 29 12.325 13.868 12.817 1.00 0.00 C ATOM 494 C LYS A 29 13.161 13.074 13.815 1.00 0.00 C ATOM 495 O LYS A 29 13.735 13.618 14.731 1.00 0.00 O ATOM 496 CB LYS A 29 10.882 13.975 13.319 1.00 0.00 C ATOM 497 CG LYS A 29 10.771 15.148 14.296 1.00 0.00 C ATOM 498 CD LYS A 29 9.296 15.456 14.563 1.00 0.00 C ATOM 499 CE LYS A 29 8.960 16.846 14.017 1.00 0.00 C ATOM 500 NZ LYS A 29 7.498 17.096 14.164 1.00 0.00 N ATOM 0 H LYS A 29 11.515 12.612 11.300 1.00 0.00 H new ATOM 0 HA LYS A 29 12.728 14.874 12.702 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.203 14.121 12.479 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.586 13.048 13.811 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.277 14.905 15.230 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.267 16.026 13.883 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.665 14.705 14.089 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.092 15.414 15.633 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.526 17.607 14.555 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.248 16.916 12.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.268 18.040 13.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.968 16.377 13.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.237 17.046 15.169 1.00 0.00 H new ATOM 514 N ASN A 30 13.245 11.786 13.624 1.00 0.00 N ATOM 515 CA ASN A 30 14.060 10.943 14.540 1.00 0.00 C ATOM 516 C ASN A 30 15.534 11.144 14.194 1.00 0.00 C ATOM 517 O ASN A 30 16.391 11.164 15.054 1.00 0.00 O ATOM 518 CB ASN A 30 13.681 9.473 14.349 1.00 0.00 C ATOM 519 CG ASN A 30 14.733 8.579 15.009 1.00 0.00 C ATOM 520 OD1 ASN A 30 15.152 8.861 16.211 1.00 0.00 O flip ATOM 521 ND2 ASN A 30 15.178 7.613 14.422 1.00 0.00 N flip ATOM 0 H ASN A 30 12.782 11.280 12.869 1.00 0.00 H new ATOM 0 HA ASN A 30 13.878 11.225 15.577 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.701 9.281 14.785 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.608 9.241 13.286 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.850 7.392 13.482 1.00 0.00 H new ATOM 0 HD22 ASN A 30 15.879 7.023 14.870 1.00 0.00 H new ATOM 528 N SER A 31 15.829 11.309 12.934 1.00 0.00 N ATOM 529 CA SER A 31 17.240 11.528 12.516 1.00 0.00 C ATOM 530 C SER A 31 17.639 12.954 12.884 1.00 0.00 C ATOM 531 O SER A 31 18.769 13.226 13.234 1.00 0.00 O ATOM 532 CB SER A 31 17.362 11.333 11.005 1.00 0.00 C ATOM 533 OG SER A 31 16.548 12.292 10.342 1.00 0.00 O ATOM 0 H SER A 31 15.149 11.301 12.173 1.00 0.00 H new ATOM 0 HA SER A 31 17.895 10.816 13.019 1.00 0.00 H new ATOM 0 HB2 SER A 31 18.401 11.444 10.695 1.00 0.00 H new ATOM 0 HB3 SER A 31 17.053 10.324 10.730 1.00 0.00 H new ATOM 0 HG SER A 31 15.824 12.575 10.939 1.00 0.00 H new ATOM 539 N GLN A 32 16.707 13.865 12.822 1.00 0.00 N ATOM 540 CA GLN A 32 17.016 15.274 13.183 1.00 0.00 C ATOM 541 C GLN A 32 17.116 15.374 14.704 1.00 0.00 C ATOM 542 O GLN A 32 17.893 16.136 15.237 1.00 0.00 O ATOM 543 CB GLN A 32 15.901 16.190 12.677 1.00 0.00 C ATOM 544 CG GLN A 32 16.094 17.593 13.253 1.00 0.00 C ATOM 545 CD GLN A 32 14.874 17.968 14.095 1.00 0.00 C ATOM 546 OE1 GLN A 32 14.842 17.639 15.358 1.00 0.00 O flip ATOM 547 NE2 GLN A 32 13.940 18.568 13.599 1.00 0.00 N flip ATOM 0 H GLN A 32 15.743 13.692 12.536 1.00 0.00 H new ATOM 0 HA GLN A 32 17.958 15.580 12.727 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.913 16.228 11.588 1.00 0.00 H new ATOM 0 HB3 GLN A 32 14.929 15.795 12.972 1.00 0.00 H new ATOM 0 HG2 GLN A 32 16.996 17.626 13.864 1.00 0.00 H new ATOM 0 HG3 GLN A 32 16.229 18.314 12.447 1.00 0.00 H new ATOM 0 HE21 GLN A 32 13.965 18.825 12.612 1.00 0.00 H new ATOM 0 HE22 GLN A 32 13.131 18.814 14.170 1.00 0.00 H new ATOM 556 N LEU A 33 16.344 14.589 15.404 1.00 0.00 N ATOM 557 CA LEU A 33 16.404 14.616 16.890 1.00 0.00 C ATOM 558 C LEU A 33 17.586 13.761 17.332 1.00 0.00 C ATOM 559 O LEU A 33 18.112 13.919 18.413 1.00 0.00 O ATOM 560 CB LEU A 33 15.109 14.050 17.478 1.00 0.00 C ATOM 561 CG LEU A 33 14.442 15.109 18.356 1.00 0.00 C ATOM 562 CD1 LEU A 33 13.165 15.608 17.676 1.00 0.00 C ATOM 563 CD2 LEU A 33 14.089 14.496 19.714 1.00 0.00 C ATOM 0 H LEU A 33 15.674 13.929 15.009 1.00 0.00 H new ATOM 0 HA LEU A 33 16.524 15.641 17.241 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.434 13.749 16.677 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.324 13.158 18.066 1.00 0.00 H new ATOM 0 HG LEU A 33 15.127 15.945 18.500 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.690 16.363 18.303 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.414 16.044 16.709 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.480 14.773 17.532 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.613 15.250 20.341 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.404 13.660 19.569 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.998 14.141 20.200 1.00 0.00 H new ATOM 575 N GLU A 34 18.019 12.868 16.485 1.00 0.00 N ATOM 576 CA GLU A 34 19.182 12.011 16.831 1.00 0.00 C ATOM 577 C GLU A 34 20.451 12.839 16.640 1.00 0.00 C ATOM 578 O GLU A 34 21.391 12.743 17.405 1.00 0.00 O ATOM 579 CB GLU A 34 19.219 10.793 15.905 1.00 0.00 C ATOM 580 CG GLU A 34 20.453 9.946 16.223 1.00 0.00 C ATOM 581 CD GLU A 34 20.114 8.945 17.329 1.00 0.00 C ATOM 582 OE1 GLU A 34 20.169 9.326 18.486 1.00 0.00 O ATOM 583 OE2 GLU A 34 19.802 7.811 16.999 1.00 0.00 O ATOM 0 H GLU A 34 17.614 12.696 15.565 1.00 0.00 H new ATOM 0 HA GLU A 34 19.105 11.665 17.862 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.314 10.199 16.033 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.245 11.115 14.864 1.00 0.00 H new ATOM 0 HG2 GLU A 34 20.785 9.418 15.329 1.00 0.00 H new ATOM 0 HG3 GLU A 34 21.276 10.587 16.538 1.00 0.00 H new ATOM 590 N ARG A 35 20.475 13.665 15.629 1.00 0.00 N ATOM 591 CA ARG A 35 21.670 14.517 15.391 1.00 0.00 C ATOM 592 C ARG A 35 21.625 15.695 16.361 1.00 0.00 C ATOM 593 O ARG A 35 22.639 16.158 16.837 1.00 0.00 O ATOM 594 CB ARG A 35 21.666 15.032 13.950 1.00 0.00 C ATOM 595 CG ARG A 35 23.058 14.850 13.339 1.00 0.00 C ATOM 596 CD ARG A 35 23.723 16.217 13.161 1.00 0.00 C ATOM 597 NE ARG A 35 24.510 16.226 11.894 1.00 0.00 N ATOM 598 CZ ARG A 35 25.804 16.048 11.925 1.00 0.00 C ATOM 599 NH1 ARG A 35 26.573 16.936 12.496 1.00 0.00 N ATOM 600 NH2 ARG A 35 26.330 14.983 11.383 1.00 0.00 N ATOM 0 H ARG A 35 19.716 13.785 14.958 1.00 0.00 H new ATOM 0 HA ARG A 35 22.578 13.936 15.550 1.00 0.00 H new ATOM 0 HB2 ARG A 35 20.925 14.491 13.361 1.00 0.00 H new ATOM 0 HB3 ARG A 35 21.383 16.084 13.929 1.00 0.00 H new ATOM 0 HG2 ARG A 35 23.669 14.218 13.983 1.00 0.00 H new ATOM 0 HG3 ARG A 35 22.981 14.344 12.377 1.00 0.00 H new ATOM 0 HD2 ARG A 35 22.966 17.001 13.137 1.00 0.00 H new ATOM 0 HD3 ARG A 35 24.375 16.429 14.008 1.00 0.00 H new ATOM 0 HE ARG A 35 24.037 16.371 11.002 1.00 0.00 H new ATOM 0 HH11 ARG A 35 26.163 17.769 12.918 1.00 0.00 H new ATOM 0 HH12 ARG A 35 27.583 16.796 12.520 1.00 0.00 H new ATOM 0 HH21 ARG A 35 25.731 14.290 10.935 1.00 0.00 H new ATOM 0 HH22 ARG A 35 27.340 14.844 11.407 1.00 0.00 H new ATOM 614 N GLU A 36 20.450 16.171 16.674 1.00 0.00 N ATOM 615 CA GLU A 36 20.337 17.303 17.632 1.00 0.00 C ATOM 616 C GLU A 36 20.607 16.770 19.037 1.00 0.00 C ATOM 617 O GLU A 36 21.141 17.454 19.884 1.00 0.00 O ATOM 618 CB GLU A 36 18.926 17.896 17.568 1.00 0.00 C ATOM 619 CG GLU A 36 18.967 19.235 16.827 1.00 0.00 C ATOM 620 CD GLU A 36 17.539 19.728 16.579 1.00 0.00 C ATOM 621 OE1 GLU A 36 16.771 18.985 15.992 1.00 0.00 O ATOM 622 OE2 GLU A 36 17.241 20.842 16.978 1.00 0.00 O ATOM 0 H GLU A 36 19.564 15.823 16.306 1.00 0.00 H new ATOM 0 HA GLU A 36 21.057 18.082 17.380 1.00 0.00 H new ATOM 0 HB2 GLU A 36 18.253 17.207 17.058 1.00 0.00 H new ATOM 0 HB3 GLU A 36 18.534 18.038 18.575 1.00 0.00 H new ATOM 0 HG2 GLU A 36 19.520 19.970 17.413 1.00 0.00 H new ATOM 0 HG3 GLU A 36 19.493 19.122 15.879 1.00 0.00 H new ATOM 629 N ASN A 37 20.253 15.538 19.279 1.00 0.00 N ATOM 630 CA ASN A 37 20.496 14.935 20.615 1.00 0.00 C ATOM 631 C ASN A 37 21.961 14.519 20.696 1.00 0.00 C ATOM 632 O ASN A 37 22.560 14.512 21.750 1.00 0.00 O ATOM 633 CB ASN A 37 19.602 13.709 20.797 1.00 0.00 C ATOM 634 CG ASN A 37 20.025 12.949 22.057 1.00 0.00 C ATOM 635 OD1 ASN A 37 19.552 13.234 23.140 1.00 0.00 O ATOM 636 ND2 ASN A 37 20.904 11.989 21.962 1.00 0.00 N ATOM 0 H ASN A 37 19.803 14.921 18.603 1.00 0.00 H new ATOM 0 HA ASN A 37 20.267 15.657 21.399 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.559 14.015 20.878 1.00 0.00 H new ATOM 0 HB3 ASN A 37 19.677 13.059 19.925 1.00 0.00 H new ATOM 0 HD21 ASN A 37 21.194 11.478 22.796 1.00 0.00 H new ATOM 0 HD22 ASN A 37 21.301 11.749 21.054 1.00 0.00 H new ATOM 643 N THR A 38 22.547 14.187 19.578 1.00 0.00 N ATOM 644 CA THR A 38 23.980 13.794 19.579 1.00 0.00 C ATOM 645 C THR A 38 24.820 15.064 19.700 1.00 0.00 C ATOM 646 O THR A 38 25.893 15.063 20.267 1.00 0.00 O ATOM 647 CB THR A 38 24.317 13.072 18.269 1.00 0.00 C ATOM 648 OG1 THR A 38 23.786 11.754 18.308 1.00 0.00 O ATOM 649 CG2 THR A 38 25.835 13.006 18.091 1.00 0.00 C ATOM 0 H THR A 38 22.093 14.172 18.665 1.00 0.00 H new ATOM 0 HA THR A 38 24.189 13.123 20.412 1.00 0.00 H new ATOM 0 HB THR A 38 23.881 13.618 17.432 1.00 0.00 H new ATOM 0 HG1 THR A 38 22.846 11.772 18.030 1.00 0.00 H new ATOM 0 HG21 THR A 38 26.070 12.492 17.159 1.00 0.00 H new ATOM 0 HG22 THR A 38 26.242 14.017 18.061 1.00 0.00 H new ATOM 0 HG23 THR A 38 26.276 12.462 18.926 1.00 0.00 H new ATOM 657 N LEU A 39 24.322 16.153 19.181 1.00 0.00 N ATOM 658 CA LEU A 39 25.069 17.436 19.271 1.00 0.00 C ATOM 659 C LEU A 39 24.898 18.001 20.680 1.00 0.00 C ATOM 660 O LEU A 39 25.806 18.567 21.245 1.00 0.00 O ATOM 661 CB LEU A 39 24.510 18.431 18.250 1.00 0.00 C ATOM 662 CG LEU A 39 25.661 19.197 17.596 1.00 0.00 C ATOM 663 CD1 LEU A 39 26.581 19.763 18.680 1.00 0.00 C ATOM 664 CD2 LEU A 39 26.457 18.248 16.697 1.00 0.00 C ATOM 0 H LEU A 39 23.426 16.208 18.697 1.00 0.00 H new ATOM 0 HA LEU A 39 26.125 17.267 19.061 1.00 0.00 H new ATOM 0 HB2 LEU A 39 23.934 17.903 17.491 1.00 0.00 H new ATOM 0 HB3 LEU A 39 23.829 19.127 18.740 1.00 0.00 H new ATOM 0 HG LEU A 39 25.259 20.015 16.998 1.00 0.00 H new ATOM 0 HD11 LEU A 39 27.401 20.309 18.213 1.00 0.00 H new ATOM 0 HD12 LEU A 39 26.015 20.438 19.322 1.00 0.00 H new ATOM 0 HD13 LEU A 39 26.984 18.946 19.279 1.00 0.00 H new ATOM 0 HD21 LEU A 39 27.278 18.792 16.230 1.00 0.00 H new ATOM 0 HD22 LEU A 39 26.858 17.430 17.296 1.00 0.00 H new ATOM 0 HD23 LEU A 39 25.803 17.845 15.924 1.00 0.00 H new ATOM 676 N LEU A 40 23.737 17.840 21.253 1.00 0.00 N ATOM 677 CA LEU A 40 23.510 18.358 22.632 1.00 0.00 C ATOM 678 C LEU A 40 24.221 17.443 23.627 1.00 0.00 C ATOM 679 O LEU A 40 24.696 17.875 24.655 1.00 0.00 O ATOM 680 CB LEU A 40 22.011 18.376 22.937 1.00 0.00 C ATOM 681 CG LEU A 40 21.323 19.428 22.066 1.00 0.00 C ATOM 682 CD1 LEU A 40 19.828 19.464 22.391 1.00 0.00 C ATOM 683 CD2 LEU A 40 21.939 20.800 22.346 1.00 0.00 C ATOM 0 H LEU A 40 22.937 17.373 20.827 1.00 0.00 H new ATOM 0 HA LEU A 40 23.903 19.372 22.713 1.00 0.00 H new ATOM 0 HB2 LEU A 40 21.579 17.393 22.747 1.00 0.00 H new ATOM 0 HB3 LEU A 40 21.847 18.598 23.991 1.00 0.00 H new ATOM 0 HG LEU A 40 21.458 19.175 21.015 1.00 0.00 H new ATOM 0 HD11 LEU A 40 19.339 20.214 21.770 1.00 0.00 H new ATOM 0 HD12 LEU A 40 19.389 18.486 22.193 1.00 0.00 H new ATOM 0 HD13 LEU A 40 19.690 19.717 23.442 1.00 0.00 H new ATOM 0 HD21 LEU A 40 21.450 21.552 21.726 1.00 0.00 H new ATOM 0 HD22 LEU A 40 21.803 21.052 23.398 1.00 0.00 H new ATOM 0 HD23 LEU A 40 23.004 20.775 22.114 1.00 0.00 H new ATOM 695 N LYS A 41 24.305 16.178 23.319 1.00 0.00 N ATOM 696 CA LYS A 41 24.991 15.229 24.236 1.00 0.00 C ATOM 697 C LYS A 41 26.500 15.449 24.130 1.00 0.00 C ATOM 698 O LYS A 41 27.218 15.380 25.107 1.00 0.00 O ATOM 699 CB LYS A 41 24.648 13.791 23.838 1.00 0.00 C ATOM 700 CG LYS A 41 25.301 12.818 24.822 1.00 0.00 C ATOM 701 CD LYS A 41 25.031 11.379 24.374 1.00 0.00 C ATOM 702 CE LYS A 41 26.139 10.466 24.902 1.00 0.00 C ATOM 703 NZ LYS A 41 27.434 10.844 24.271 1.00 0.00 N ATOM 0 H LYS A 41 23.926 15.761 22.469 1.00 0.00 H new ATOM 0 HA LYS A 41 24.664 15.400 25.262 1.00 0.00 H new ATOM 0 HB2 LYS A 41 23.567 13.651 23.836 1.00 0.00 H new ATOM 0 HB3 LYS A 41 24.998 13.590 22.825 1.00 0.00 H new ATOM 0 HG2 LYS A 41 26.375 12.999 24.871 1.00 0.00 H new ATOM 0 HG3 LYS A 41 24.905 12.978 25.825 1.00 0.00 H new ATOM 0 HD2 LYS A 41 24.062 11.046 24.746 1.00 0.00 H new ATOM 0 HD3 LYS A 41 24.989 11.327 23.286 1.00 0.00 H new ATOM 0 HE2 LYS A 41 26.211 10.553 25.986 1.00 0.00 H new ATOM 0 HE3 LYS A 41 25.904 9.425 24.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 28.015 9.992 24.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 27.254 11.292 23.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 27.939 11.512 24.888 1.00 0.00 H new ATOM 717 N THR A 42 26.985 15.725 22.950 1.00 0.00 N ATOM 718 CA THR A 42 28.444 15.962 22.786 1.00 0.00 C ATOM 719 C THR A 42 28.784 17.356 23.325 1.00 0.00 C ATOM 720 O THR A 42 29.866 17.594 23.822 1.00 0.00 O ATOM 721 CB THR A 42 28.819 15.861 21.299 1.00 0.00 C ATOM 722 OG1 THR A 42 30.219 15.641 21.176 1.00 0.00 O ATOM 723 CG2 THR A 42 28.441 17.153 20.570 1.00 0.00 C ATOM 0 H THR A 42 26.434 15.796 22.095 1.00 0.00 H new ATOM 0 HA THR A 42 29.009 15.212 23.340 1.00 0.00 H new ATOM 0 HB THR A 42 28.275 15.029 20.853 1.00 0.00 H new ATOM 0 HG1 THR A 42 30.458 15.575 20.228 1.00 0.00 H new ATOM 0 HG21 THR A 42 28.712 17.069 19.517 1.00 0.00 H new ATOM 0 HG22 THR A 42 27.367 17.319 20.657 1.00 0.00 H new ATOM 0 HG23 THR A 42 28.975 17.992 21.016 1.00 0.00 H new ATOM 731 N LEU A 43 27.856 18.272 23.245 1.00 0.00 N ATOM 732 CA LEU A 43 28.113 19.647 23.763 1.00 0.00 C ATOM 733 C LEU A 43 28.077 19.614 25.291 1.00 0.00 C ATOM 734 O LEU A 43 28.825 20.304 25.955 1.00 0.00 O ATOM 735 CB LEU A 43 27.033 20.602 23.249 1.00 0.00 C ATOM 736 CG LEU A 43 27.685 21.876 22.712 1.00 0.00 C ATOM 737 CD1 LEU A 43 26.725 22.573 21.746 1.00 0.00 C ATOM 738 CD2 LEU A 43 28.005 22.817 23.875 1.00 0.00 C ATOM 0 H LEU A 43 26.930 18.127 22.843 1.00 0.00 H new ATOM 0 HA LEU A 43 29.088 19.993 23.421 1.00 0.00 H new ATOM 0 HB2 LEU A 43 26.452 20.120 22.463 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.339 20.848 24.053 1.00 0.00 H new ATOM 0 HG LEU A 43 28.606 21.617 22.189 1.00 0.00 H new ATOM 0 HD11 LEU A 43 27.190 23.481 21.363 1.00 0.00 H new ATOM 0 HD12 LEU A 43 26.496 21.905 20.916 1.00 0.00 H new ATOM 0 HD13 LEU A 43 25.804 22.830 22.270 1.00 0.00 H new ATOM 0 HD21 LEU A 43 28.470 23.725 23.491 1.00 0.00 H new ATOM 0 HD22 LEU A 43 27.084 23.074 24.399 1.00 0.00 H new ATOM 0 HD23 LEU A 43 28.689 22.323 24.565 1.00 0.00 H new ATOM 750 N ALA A 44 27.216 18.809 25.851 1.00 0.00 N ATOM 751 CA ALA A 44 27.131 18.719 27.335 1.00 0.00 C ATOM 752 C ALA A 44 28.070 17.616 27.828 1.00 0.00 C ATOM 753 O ALA A 44 28.093 17.281 28.994 1.00 0.00 O ATOM 754 CB ALA A 44 25.694 18.389 27.747 1.00 0.00 C ATOM 0 H ALA A 44 26.567 18.209 25.343 1.00 0.00 H new ATOM 0 HA ALA A 44 27.423 19.672 27.776 1.00 0.00 H new ATOM 0 HB1 ALA A 44 25.633 18.323 28.833 1.00 0.00 H new ATOM 0 HB2 ALA A 44 25.025 19.173 27.393 1.00 0.00 H new ATOM 0 HB3 ALA A 44 25.400 17.435 27.309 1.00 0.00 H new ATOM 760 N SER A 45 28.848 17.051 26.944 1.00 0.00 N ATOM 761 CA SER A 45 29.789 15.972 27.355 1.00 0.00 C ATOM 762 C SER A 45 30.978 16.566 28.128 1.00 0.00 C ATOM 763 O SER A 45 31.346 16.053 29.166 1.00 0.00 O ATOM 764 CB SER A 45 30.300 15.241 26.114 1.00 0.00 C ATOM 765 OG SER A 45 31.636 14.810 26.339 1.00 0.00 O ATOM 0 H SER A 45 28.872 17.292 25.953 1.00 0.00 H new ATOM 0 HA SER A 45 29.262 15.272 28.003 1.00 0.00 H new ATOM 0 HB2 SER A 45 29.662 14.385 25.894 1.00 0.00 H new ATOM 0 HB3 SER A 45 30.260 15.900 25.247 1.00 0.00 H new ATOM 0 HG SER A 45 31.966 14.339 25.545 1.00 0.00 H new ATOM 771 N PRO A 46 31.555 17.623 27.599 1.00 0.00 N ATOM 772 CA PRO A 46 32.714 18.287 28.229 1.00 0.00 C ATOM 773 C PRO A 46 32.277 19.155 29.416 1.00 0.00 C ATOM 774 O PRO A 46 32.468 18.792 30.559 1.00 0.00 O ATOM 775 CB PRO A 46 33.293 19.146 27.101 1.00 0.00 C ATOM 776 CG PRO A 46 32.149 19.367 26.085 1.00 0.00 C ATOM 777 CD PRO A 46 31.113 18.256 26.338 1.00 0.00 C ATOM 0 HA PRO A 46 33.437 17.580 28.636 1.00 0.00 H new ATOM 0 HB2 PRO A 46 33.658 20.098 27.487 1.00 0.00 H new ATOM 0 HB3 PRO A 46 34.140 18.647 26.629 1.00 0.00 H new ATOM 0 HG2 PRO A 46 31.700 20.352 26.215 1.00 0.00 H new ATOM 0 HG3 PRO A 46 32.525 19.321 25.063 1.00 0.00 H new ATOM 0 HD2 PRO A 46 30.107 18.664 26.430 1.00 0.00 H new ATOM 0 HD3 PRO A 46 31.092 17.538 25.518 1.00 0.00 H new ATOM 1507 N GLU B 17 -0.615 -3.876 10.600 1.00 0.00 N ATOM 1508 CA GLU B 17 0.348 -4.253 11.677 1.00 0.00 C ATOM 1509 C GLU B 17 1.732 -3.670 11.366 1.00 0.00 C ATOM 1510 O GLU B 17 2.353 -3.043 12.201 1.00 0.00 O ATOM 1511 CB GLU B 17 0.448 -5.779 11.761 1.00 0.00 C ATOM 1512 CG GLU B 17 0.043 -6.241 13.162 1.00 0.00 C ATOM 1513 CD GLU B 17 1.007 -7.329 13.638 1.00 0.00 C ATOM 1514 OE1 GLU B 17 1.102 -8.343 12.968 1.00 0.00 O ATOM 1515 OE2 GLU B 17 1.634 -7.129 14.665 1.00 0.00 O ATOM 0 HA GLU B 17 -0.005 -3.855 12.628 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -0.199 -6.238 11.014 1.00 0.00 H new ATOM 0 HB3 GLU B 17 1.466 -6.100 11.541 1.00 0.00 H new ATOM 0 HG2 GLU B 17 0.059 -5.398 13.853 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -0.977 -6.624 13.150 1.00 0.00 H new ATOM 1522 N ILE B 18 2.225 -3.881 10.176 1.00 0.00 N ATOM 1523 CA ILE B 18 3.574 -3.351 9.823 1.00 0.00 C ATOM 1524 C ILE B 18 3.549 -1.820 9.799 1.00 0.00 C ATOM 1525 O ILE B 18 4.575 -1.174 9.883 1.00 0.00 O ATOM 1526 CB ILE B 18 3.987 -3.873 8.444 1.00 0.00 C ATOM 1527 CG1 ILE B 18 2.980 -3.400 7.393 1.00 0.00 C ATOM 1528 CG2 ILE B 18 4.023 -5.402 8.462 1.00 0.00 C ATOM 1529 CD1 ILE B 18 3.727 -2.954 6.134 1.00 0.00 C ATOM 0 H ILE B 18 1.753 -4.397 9.433 1.00 0.00 H new ATOM 0 HA ILE B 18 4.292 -3.686 10.572 1.00 0.00 H new ATOM 0 HB ILE B 18 4.977 -3.490 8.197 1.00 0.00 H new ATOM 0 HG12 ILE B 18 2.286 -4.205 7.151 1.00 0.00 H new ATOM 0 HG13 ILE B 18 2.387 -2.575 7.788 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.317 -5.771 7.479 1.00 0.00 H new ATOM 0 HG22 ILE B 18 4.743 -5.740 9.207 1.00 0.00 H new ATOM 0 HG23 ILE B 18 3.034 -5.786 8.713 1.00 0.00 H new ATOM 0 HD11 ILE B 18 3.010 -2.617 5.386 1.00 0.00 H new ATOM 0 HD12 ILE B 18 4.403 -2.136 6.383 1.00 0.00 H new ATOM 0 HD13 ILE B 18 4.301 -3.791 5.736 1.00 0.00 H new ATOM 1541 N LEU B 19 2.391 -1.232 9.680 1.00 0.00 N ATOM 1542 CA LEU B 19 2.313 0.257 9.643 1.00 0.00 C ATOM 1543 C LEU B 19 2.310 0.814 11.070 1.00 0.00 C ATOM 1544 O LEU B 19 3.063 1.705 11.395 1.00 0.00 O ATOM 1545 CB LEU B 19 1.030 0.681 8.928 1.00 0.00 C ATOM 1546 CG LEU B 19 1.360 1.116 7.499 1.00 0.00 C ATOM 1547 CD1 LEU B 19 2.267 2.347 7.536 1.00 0.00 C ATOM 1548 CD2 LEU B 19 2.078 -0.024 6.772 1.00 0.00 C ATOM 0 H LEU B 19 1.496 -1.716 9.607 1.00 0.00 H new ATOM 0 HA LEU B 19 3.178 0.649 9.107 1.00 0.00 H new ATOM 0 HB2 LEU B 19 0.320 -0.146 8.913 1.00 0.00 H new ATOM 0 HB3 LEU B 19 0.554 1.500 9.468 1.00 0.00 H new ATOM 0 HG LEU B 19 0.438 1.360 6.972 1.00 0.00 H new ATOM 0 HD11 LEU B 19 2.502 2.657 6.518 1.00 0.00 H new ATOM 0 HD12 LEU B 19 1.757 3.159 8.054 1.00 0.00 H new ATOM 0 HD13 LEU B 19 3.189 2.104 8.063 1.00 0.00 H new ATOM 0 HD21 LEU B 19 2.313 0.285 5.754 1.00 0.00 H new ATOM 0 HD22 LEU B 19 3.000 -0.268 7.299 1.00 0.00 H new ATOM 0 HD23 LEU B 19 1.432 -0.902 6.745 1.00 0.00 H new ATOM 1560 N LYS B 20 1.464 0.301 11.916 1.00 0.00 N ATOM 1561 CA LYS B 20 1.404 0.802 13.318 1.00 0.00 C ATOM 1562 C LYS B 20 2.678 0.399 14.056 1.00 0.00 C ATOM 1563 O LYS B 20 3.097 1.054 14.987 1.00 0.00 O ATOM 1564 CB LYS B 20 0.188 0.203 14.028 1.00 0.00 C ATOM 1565 CG LYS B 20 0.197 -1.321 13.872 1.00 0.00 C ATOM 1566 CD LYS B 20 0.009 -1.976 15.242 1.00 0.00 C ATOM 1567 CE LYS B 20 -1.340 -1.556 15.829 1.00 0.00 C ATOM 1568 NZ LYS B 20 -2.355 -2.609 15.544 1.00 0.00 N ATOM 0 H LYS B 20 0.807 -0.448 11.697 1.00 0.00 H new ATOM 0 HA LYS B 20 1.316 1.888 13.311 1.00 0.00 H new ATOM 0 HB2 LYS B 20 0.204 0.470 15.085 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -0.730 0.616 13.609 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -0.599 -1.633 13.196 1.00 0.00 H new ATOM 0 HG3 LYS B 20 1.138 -1.646 13.428 1.00 0.00 H new ATOM 0 HD2 LYS B 20 0.054 -3.061 15.147 1.00 0.00 H new ATOM 0 HD3 LYS B 20 0.817 -1.681 15.912 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -1.249 -1.405 16.905 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -1.656 -0.606 15.399 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -3.272 -2.324 15.943 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -2.448 -2.732 14.516 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -2.054 -3.507 15.975 1.00 0.00 H new ATOM 1582 N GLU B 21 3.301 -0.669 13.648 1.00 0.00 N ATOM 1583 CA GLU B 21 4.552 -1.099 14.328 1.00 0.00 C ATOM 1584 C GLU B 21 5.699 -0.204 13.863 1.00 0.00 C ATOM 1585 O GLU B 21 6.631 0.058 14.595 1.00 0.00 O ATOM 1586 CB GLU B 21 4.857 -2.557 13.977 1.00 0.00 C ATOM 1587 CG GLU B 21 3.911 -3.477 14.754 1.00 0.00 C ATOM 1588 CD GLU B 21 4.728 -4.488 15.562 1.00 0.00 C ATOM 1589 OE1 GLU B 21 5.698 -4.079 16.179 1.00 0.00 O ATOM 1590 OE2 GLU B 21 4.370 -5.654 15.552 1.00 0.00 O ATOM 0 H GLU B 21 2.999 -1.262 12.875 1.00 0.00 H new ATOM 0 HA GLU B 21 4.433 -1.014 15.408 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.738 -2.717 12.905 1.00 0.00 H new ATOM 0 HB3 GLU B 21 5.893 -2.792 14.222 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.280 -2.888 15.420 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.247 -3.999 14.065 1.00 0.00 H new ATOM 1597 N GLN B 22 5.631 0.278 12.651 1.00 0.00 N ATOM 1598 CA GLN B 22 6.710 1.169 12.142 1.00 0.00 C ATOM 1599 C GLN B 22 6.556 2.551 12.776 1.00 0.00 C ATOM 1600 O GLN B 22 7.512 3.146 13.229 1.00 0.00 O ATOM 1601 CB GLN B 22 6.599 1.290 10.620 1.00 0.00 C ATOM 1602 CG GLN B 22 8.000 1.312 10.004 1.00 0.00 C ATOM 1603 CD GLN B 22 8.467 -0.121 9.747 1.00 0.00 C ATOM 1604 OE1 GLN B 22 7.927 -1.101 10.418 1.00 0.00 O flip ATOM 1605 NE2 GLN B 22 9.333 -0.353 8.926 1.00 0.00 N flip ATOM 0 H GLN B 22 4.874 0.093 11.992 1.00 0.00 H new ATOM 0 HA GLN B 22 7.683 0.752 12.400 1.00 0.00 H new ATOM 0 HB2 GLN B 22 6.027 0.453 10.219 1.00 0.00 H new ATOM 0 HB3 GLN B 22 6.060 2.200 10.356 1.00 0.00 H new ATOM 0 HG2 GLN B 22 7.990 1.875 9.071 1.00 0.00 H new ATOM 0 HG3 GLN B 22 8.695 1.818 10.674 1.00 0.00 H new ATOM 0 HE21 GLN B 22 9.756 0.412 8.401 1.00 0.00 H new ATOM 0 HE22 GLN B 22 9.637 -1.313 8.762 1.00 0.00 H new ATOM 1614 N ILE B 23 5.356 3.066 12.817 1.00 0.00 N ATOM 1615 CA ILE B 23 5.142 4.406 13.428 1.00 0.00 C ATOM 1616 C ILE B 23 5.166 4.268 14.949 1.00 0.00 C ATOM 1617 O ILE B 23 5.430 5.212 15.662 1.00 0.00 O ATOM 1618 CB ILE B 23 3.794 4.971 12.977 1.00 0.00 C ATOM 1619 CG1 ILE B 23 2.668 4.043 13.440 1.00 0.00 C ATOM 1620 CG2 ILE B 23 3.770 5.078 11.451 1.00 0.00 C ATOM 1621 CD1 ILE B 23 1.363 4.835 13.534 1.00 0.00 C ATOM 0 H ILE B 23 4.516 2.615 12.453 1.00 0.00 H new ATOM 0 HA ILE B 23 5.932 5.086 13.110 1.00 0.00 H new ATOM 0 HB ILE B 23 3.652 5.960 13.414 1.00 0.00 H new ATOM 0 HG12 ILE B 23 2.554 3.215 12.741 1.00 0.00 H new ATOM 0 HG13 ILE B 23 2.914 3.610 14.410 1.00 0.00 H new ATOM 0 HG21 ILE B 23 2.809 5.481 11.130 1.00 0.00 H new ATOM 0 HG22 ILE B 23 4.570 5.740 11.120 1.00 0.00 H new ATOM 0 HG23 ILE B 23 3.913 4.089 11.015 1.00 0.00 H new ATOM 0 HD11 ILE B 23 0.560 4.176 13.864 1.00 0.00 H new ATOM 0 HD12 ILE B 23 1.482 5.648 14.250 1.00 0.00 H new ATOM 0 HD13 ILE B 23 1.116 5.247 12.555 1.00 0.00 H new ATOM 1633 N ARG B 24 4.909 3.090 15.447 1.00 0.00 N ATOM 1634 CA ARG B 24 4.940 2.882 16.922 1.00 0.00 C ATOM 1635 C ARG B 24 6.401 2.820 17.363 1.00 0.00 C ATOM 1636 O ARG B 24 6.787 3.389 18.362 1.00 0.00 O ATOM 1637 CB ARG B 24 4.243 1.565 17.268 1.00 0.00 C ATOM 1638 CG ARG B 24 4.364 1.298 18.770 1.00 0.00 C ATOM 1639 CD ARG B 24 3.383 0.195 19.172 1.00 0.00 C ATOM 1640 NE ARG B 24 3.515 -0.954 18.232 1.00 0.00 N ATOM 1641 CZ ARG B 24 4.221 -1.998 18.573 1.00 0.00 C ATOM 1642 NH1 ARG B 24 3.691 -2.930 19.317 1.00 0.00 N ATOM 1643 NH2 ARG B 24 5.457 -2.111 18.169 1.00 0.00 N ATOM 0 H ARG B 24 4.679 2.263 14.896 1.00 0.00 H new ATOM 0 HA ARG B 24 4.426 3.698 17.431 1.00 0.00 H new ATOM 0 HB2 ARG B 24 3.193 1.611 16.980 1.00 0.00 H new ATOM 0 HB3 ARG B 24 4.692 0.746 16.706 1.00 0.00 H new ATOM 0 HG2 ARG B 24 5.383 1.001 19.016 1.00 0.00 H new ATOM 0 HG3 ARG B 24 4.153 2.209 19.330 1.00 0.00 H new ATOM 0 HD2 ARG B 24 3.584 -0.131 20.192 1.00 0.00 H new ATOM 0 HD3 ARG B 24 2.362 0.577 19.155 1.00 0.00 H new ATOM 0 HE ARG B 24 3.054 -0.925 17.323 1.00 0.00 H new ATOM 0 HH11 ARG B 24 2.725 -2.843 19.632 1.00 0.00 H new ATOM 0 HH12 ARG B 24 4.243 -3.745 19.583 1.00 0.00 H new ATOM 0 HH21 ARG B 24 5.872 -1.383 17.587 1.00 0.00 H new ATOM 0 HH22 ARG B 24 6.008 -2.927 18.436 1.00 0.00 H new ATOM 1657 N GLU B 25 7.217 2.142 16.604 1.00 0.00 N ATOM 1658 CA GLU B 25 8.660 2.048 16.949 1.00 0.00 C ATOM 1659 C GLU B 25 9.333 3.371 16.590 1.00 0.00 C ATOM 1660 O GLU B 25 10.313 3.762 17.185 1.00 0.00 O ATOM 1661 CB GLU B 25 9.305 0.911 16.154 1.00 0.00 C ATOM 1662 CG GLU B 25 9.673 -0.233 17.103 1.00 0.00 C ATOM 1663 CD GLU B 25 11.153 -0.579 16.937 1.00 0.00 C ATOM 1664 OE1 GLU B 25 11.967 0.326 17.023 1.00 0.00 O ATOM 1665 OE2 GLU B 25 11.450 -1.744 16.727 1.00 0.00 O ATOM 0 H GLU B 25 6.943 1.647 15.755 1.00 0.00 H new ATOM 0 HA GLU B 25 8.777 1.847 18.014 1.00 0.00 H new ATOM 0 HB2 GLU B 25 8.618 0.554 15.387 1.00 0.00 H new ATOM 0 HB3 GLU B 25 10.196 1.272 15.640 1.00 0.00 H new ATOM 0 HG2 GLU B 25 9.470 0.056 18.134 1.00 0.00 H new ATOM 0 HG3 GLU B 25 9.058 -1.108 16.890 1.00 0.00 H new ATOM 1672 N LEU B 26 8.801 4.072 15.625 1.00 0.00 N ATOM 1673 CA LEU B 26 9.398 5.380 15.239 1.00 0.00 C ATOM 1674 C LEU B 26 8.963 6.427 16.263 1.00 0.00 C ATOM 1675 O LEU B 26 9.682 7.359 16.561 1.00 0.00 O ATOM 1676 CB LEU B 26 8.904 5.786 13.849 1.00 0.00 C ATOM 1677 CG LEU B 26 10.061 5.707 12.850 1.00 0.00 C ATOM 1678 CD1 LEU B 26 11.125 6.743 13.216 1.00 0.00 C ATOM 1679 CD2 LEU B 26 10.678 4.307 12.896 1.00 0.00 C ATOM 0 H LEU B 26 7.979 3.794 15.088 1.00 0.00 H new ATOM 0 HA LEU B 26 10.485 5.302 15.216 1.00 0.00 H new ATOM 0 HB2 LEU B 26 8.093 5.130 13.534 1.00 0.00 H new ATOM 0 HB3 LEU B 26 8.502 6.799 13.876 1.00 0.00 H new ATOM 0 HG LEU B 26 9.688 5.909 11.846 1.00 0.00 H new ATOM 0 HD11 LEU B 26 11.948 6.686 12.504 1.00 0.00 H new ATOM 0 HD12 LEU B 26 10.687 7.741 13.185 1.00 0.00 H new ATOM 0 HD13 LEU B 26 11.499 6.542 14.220 1.00 0.00 H new ATOM 0 HD21 LEU B 26 11.502 4.249 12.185 1.00 0.00 H new ATOM 0 HD22 LEU B 26 11.051 4.106 13.901 1.00 0.00 H new ATOM 0 HD23 LEU B 26 9.921 3.567 12.635 1.00 0.00 H new ATOM 1691 N VAL B 27 7.793 6.262 16.817 1.00 0.00 N ATOM 1692 CA VAL B 27 7.306 7.225 17.840 1.00 0.00 C ATOM 1693 C VAL B 27 7.906 6.829 19.184 1.00 0.00 C ATOM 1694 O VAL B 27 8.062 7.639 20.073 1.00 0.00 O ATOM 1695 CB VAL B 27 5.779 7.171 17.917 1.00 0.00 C ATOM 1696 CG1 VAL B 27 5.343 5.800 18.429 1.00 0.00 C ATOM 1697 CG2 VAL B 27 5.279 8.255 18.873 1.00 0.00 C ATOM 0 H VAL B 27 7.152 5.498 16.603 1.00 0.00 H new ATOM 0 HA VAL B 27 7.604 8.240 17.577 1.00 0.00 H new ATOM 0 HB VAL B 27 5.359 7.339 16.925 1.00 0.00 H new ATOM 0 HG11 VAL B 27 4.255 5.761 18.484 1.00 0.00 H new ATOM 0 HG12 VAL B 27 5.700 5.027 17.748 1.00 0.00 H new ATOM 0 HG13 VAL B 27 5.763 5.632 19.421 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.191 8.217 18.929 1.00 0.00 H new ATOM 0 HG22 VAL B 27 5.699 8.087 19.865 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.590 9.234 18.508 1.00 0.00 H new ATOM 1707 N GLU B 28 8.266 5.581 19.326 1.00 0.00 N ATOM 1708 CA GLU B 28 8.885 5.123 20.598 1.00 0.00 C ATOM 1709 C GLU B 28 10.344 5.567 20.596 1.00 0.00 C ATOM 1710 O GLU B 28 10.882 5.982 21.602 1.00 0.00 O ATOM 1711 CB GLU B 28 8.814 3.597 20.686 1.00 0.00 C ATOM 1712 CG GLU B 28 8.499 3.183 22.123 1.00 0.00 C ATOM 1713 CD GLU B 28 8.066 1.717 22.150 1.00 0.00 C ATOM 1714 OE1 GLU B 28 8.934 0.862 22.080 1.00 0.00 O ATOM 1715 OE2 GLU B 28 6.875 1.473 22.244 1.00 0.00 O ATOM 0 H GLU B 28 8.157 4.860 18.613 1.00 0.00 H new ATOM 0 HA GLU B 28 8.357 5.548 21.452 1.00 0.00 H new ATOM 0 HB2 GLU B 28 8.047 3.219 20.011 1.00 0.00 H new ATOM 0 HB3 GLU B 28 9.761 3.159 20.370 1.00 0.00 H new ATOM 0 HG2 GLU B 28 9.376 3.325 22.754 1.00 0.00 H new ATOM 0 HG3 GLU B 28 7.708 3.814 22.529 1.00 0.00 H new ATOM 1722 N LYS B 29 10.979 5.500 19.458 1.00 0.00 N ATOM 1723 CA LYS B 29 12.398 5.933 19.365 1.00 0.00 C ATOM 1724 C LYS B 29 12.436 7.457 19.391 1.00 0.00 C ATOM 1725 O LYS B 29 13.309 8.058 19.982 1.00 0.00 O ATOM 1726 CB LYS B 29 13.011 5.423 18.059 1.00 0.00 C ATOM 1727 CG LYS B 29 14.399 4.846 18.341 1.00 0.00 C ATOM 1728 CD LYS B 29 14.507 3.449 17.728 1.00 0.00 C ATOM 1729 CE LYS B 29 15.655 3.421 16.716 1.00 0.00 C ATOM 1730 NZ LYS B 29 16.942 3.697 17.414 1.00 0.00 N ATOM 0 H LYS B 29 10.572 5.162 18.586 1.00 0.00 H new ATOM 0 HA LYS B 29 12.969 5.528 20.200 1.00 0.00 H new ATOM 0 HB2 LYS B 29 12.370 4.660 17.617 1.00 0.00 H new ATOM 0 HB3 LYS B 29 13.083 6.236 17.336 1.00 0.00 H new ATOM 0 HG2 LYS B 29 15.167 5.498 17.924 1.00 0.00 H new ATOM 0 HG3 LYS B 29 14.572 4.797 19.416 1.00 0.00 H new ATOM 0 HD2 LYS B 29 14.680 2.710 18.510 1.00 0.00 H new ATOM 0 HD3 LYS B 29 13.570 3.182 17.239 1.00 0.00 H new ATOM 0 HE2 LYS B 29 15.697 2.449 16.225 1.00 0.00 H new ATOM 0 HE3 LYS B 29 15.485 4.164 15.937 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 17.719 3.223 16.910 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 17.115 4.722 17.431 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 16.892 3.339 18.389 1.00 0.00 H new ATOM 1744 N ASN B 30 11.479 8.088 18.767 1.00 0.00 N ATOM 1745 CA ASN B 30 11.438 9.574 18.770 1.00 0.00 C ATOM 1746 C ASN B 30 11.108 10.041 20.187 1.00 0.00 C ATOM 1747 O ASN B 30 11.613 11.039 20.659 1.00 0.00 O ATOM 1748 CB ASN B 30 10.355 10.057 17.804 1.00 0.00 C ATOM 1749 CG ASN B 30 10.459 11.573 17.636 1.00 0.00 C ATOM 1750 OD1 ASN B 30 11.629 12.116 17.435 1.00 0.00 O flip ATOM 1751 ND2 ASN B 30 9.467 12.273 17.689 1.00 0.00 N flip ATOM 0 H ASN B 30 10.722 7.635 18.254 1.00 0.00 H new ATOM 0 HA ASN B 30 12.399 9.980 18.455 1.00 0.00 H new ATOM 0 HB2 ASN B 30 10.469 9.565 16.838 1.00 0.00 H new ATOM 0 HB3 ASN B 30 9.369 9.790 18.184 1.00 0.00 H new ATOM 0 HD21 ASN B 30 8.552 11.850 17.846 1.00 0.00 H new ATOM 0 HD22 ASN B 30 9.549 13.283 17.576 1.00 0.00 H new ATOM 1758 N SER B 31 10.274 9.307 20.873 1.00 0.00 N ATOM 1759 CA SER B 31 9.918 9.684 22.265 1.00 0.00 C ATOM 1760 C SER B 31 11.132 9.434 23.155 1.00 0.00 C ATOM 1761 O SER B 31 11.388 10.162 24.089 1.00 0.00 O ATOM 1762 CB SER B 31 8.742 8.832 22.748 1.00 0.00 C ATOM 1763 OG SER B 31 9.233 7.605 23.269 1.00 0.00 O ATOM 0 H SER B 31 9.824 8.460 20.525 1.00 0.00 H new ATOM 0 HA SER B 31 9.630 10.735 22.306 1.00 0.00 H new ATOM 0 HB2 SER B 31 8.181 9.367 23.514 1.00 0.00 H new ATOM 0 HB3 SER B 31 8.054 8.641 21.924 1.00 0.00 H new ATOM 0 HG SER B 31 9.726 7.127 22.570 1.00 0.00 H new ATOM 1769 N GLN B 32 11.894 8.416 22.858 1.00 0.00 N ATOM 1770 CA GLN B 32 13.104 8.135 23.675 1.00 0.00 C ATOM 1771 C GLN B 32 14.126 9.239 23.408 1.00 0.00 C ATOM 1772 O GLN B 32 14.873 9.637 24.280 1.00 0.00 O ATOM 1773 CB GLN B 32 13.691 6.779 23.280 1.00 0.00 C ATOM 1774 CG GLN B 32 14.027 5.978 24.540 1.00 0.00 C ATOM 1775 CD GLN B 32 12.773 5.253 25.034 1.00 0.00 C ATOM 1776 OE1 GLN B 32 11.670 5.729 24.850 1.00 0.00 O ATOM 1777 NE2 GLN B 32 12.896 4.113 25.657 1.00 0.00 N ATOM 0 H GLN B 32 11.730 7.770 22.086 1.00 0.00 H new ATOM 0 HA GLN B 32 12.847 8.108 24.734 1.00 0.00 H new ATOM 0 HB2 GLN B 32 12.979 6.228 22.666 1.00 0.00 H new ATOM 0 HB3 GLN B 32 14.588 6.921 22.677 1.00 0.00 H new ATOM 0 HG2 GLN B 32 14.816 5.257 24.326 1.00 0.00 H new ATOM 0 HG3 GLN B 32 14.405 6.643 25.316 1.00 0.00 H new ATOM 0 HE21 GLN B 32 13.822 3.713 25.811 1.00 0.00 H new ATOM 0 HE22 GLN B 32 12.066 3.621 25.990 1.00 0.00 H new ATOM 1786 N LEU B 33 14.148 9.750 22.208 1.00 0.00 N ATOM 1787 CA LEU B 33 15.102 10.841 21.880 1.00 0.00 C ATOM 1788 C LEU B 33 14.493 12.170 22.322 1.00 0.00 C ATOM 1789 O LEU B 33 15.176 13.160 22.467 1.00 0.00 O ATOM 1790 CB LEU B 33 15.365 10.866 20.372 1.00 0.00 C ATOM 1791 CG LEU B 33 16.684 10.148 20.075 1.00 0.00 C ATOM 1792 CD1 LEU B 33 16.850 9.991 18.565 1.00 0.00 C ATOM 1793 CD2 LEU B 33 17.850 10.970 20.634 1.00 0.00 C ATOM 0 H LEU B 33 13.544 9.457 21.440 1.00 0.00 H new ATOM 0 HA LEU B 33 16.047 10.675 22.397 1.00 0.00 H new ATOM 0 HB2 LEU B 33 14.546 10.381 19.841 1.00 0.00 H new ATOM 0 HB3 LEU B 33 15.410 11.895 20.016 1.00 0.00 H new ATOM 0 HG LEU B 33 16.675 9.164 20.544 1.00 0.00 H new ATOM 0 HD11 LEU B 33 17.789 9.480 18.353 1.00 0.00 H new ATOM 0 HD12 LEU B 33 16.021 9.406 18.167 1.00 0.00 H new ATOM 0 HD13 LEU B 33 16.859 10.975 18.096 1.00 0.00 H new ATOM 0 HD21 LEU B 33 18.789 10.459 20.423 1.00 0.00 H new ATOM 0 HD22 LEU B 33 17.859 11.954 20.166 1.00 0.00 H new ATOM 0 HD23 LEU B 33 17.732 11.082 21.712 1.00 0.00 H new ATOM 1805 N GLU B 34 13.208 12.192 22.550 1.00 0.00 N ATOM 1806 CA GLU B 34 12.551 13.449 23.001 1.00 0.00 C ATOM 1807 C GLU B 34 12.775 13.611 24.504 1.00 0.00 C ATOM 1808 O GLU B 34 12.978 14.700 24.999 1.00 0.00 O ATOM 1809 CB GLU B 34 11.050 13.376 22.713 1.00 0.00 C ATOM 1810 CG GLU B 34 10.419 14.751 22.941 1.00 0.00 C ATOM 1811 CD GLU B 34 10.357 15.045 24.441 1.00 0.00 C ATOM 1812 OE1 GLU B 34 10.304 14.099 25.209 1.00 0.00 O ATOM 1813 OE2 GLU B 34 10.367 16.212 24.796 1.00 0.00 O ATOM 0 H GLU B 34 12.585 11.392 22.443 1.00 0.00 H new ATOM 0 HA GLU B 34 12.976 14.300 22.468 1.00 0.00 H new ATOM 0 HB2 GLU B 34 10.881 13.053 21.686 1.00 0.00 H new ATOM 0 HB3 GLU B 34 10.580 12.636 23.361 1.00 0.00 H new ATOM 0 HG2 GLU B 34 11.003 15.519 22.434 1.00 0.00 H new ATOM 0 HG3 GLU B 34 9.417 14.778 22.513 1.00 0.00 H new ATOM 1820 N ARG B 35 12.749 12.528 25.232 1.00 0.00 N ATOM 1821 CA ARG B 35 12.969 12.608 26.702 1.00 0.00 C ATOM 1822 C ARG B 35 14.466 12.749 26.968 1.00 0.00 C ATOM 1823 O ARG B 35 14.883 13.371 27.924 1.00 0.00 O ATOM 1824 CB ARG B 35 12.449 11.331 27.365 1.00 0.00 C ATOM 1825 CG ARG B 35 11.124 11.620 28.073 1.00 0.00 C ATOM 1826 CD ARG B 35 10.397 10.304 28.354 1.00 0.00 C ATOM 1827 NE ARG B 35 8.931 10.498 28.170 1.00 0.00 N ATOM 1828 CZ ARG B 35 8.142 9.462 28.088 1.00 0.00 C ATOM 1829 NH1 ARG B 35 7.620 8.953 29.171 1.00 0.00 N ATOM 1830 NH2 ARG B 35 7.876 8.933 26.926 1.00 0.00 N ATOM 0 H ARG B 35 12.584 11.589 24.870 1.00 0.00 H new ATOM 0 HA ARG B 35 12.437 13.467 27.112 1.00 0.00 H new ATOM 0 HB2 ARG B 35 12.310 10.552 26.616 1.00 0.00 H new ATOM 0 HB3 ARG B 35 13.181 10.958 28.081 1.00 0.00 H new ATOM 0 HG2 ARG B 35 11.307 12.153 29.006 1.00 0.00 H new ATOM 0 HG3 ARG B 35 10.502 12.266 27.454 1.00 0.00 H new ATOM 0 HD2 ARG B 35 10.759 9.526 27.682 1.00 0.00 H new ATOM 0 HD3 ARG B 35 10.606 9.970 29.370 1.00 0.00 H new ATOM 0 HE ARG B 35 8.545 11.440 28.108 1.00 0.00 H new ATOM 0 HH11 ARG B 35 7.829 9.365 30.080 1.00 0.00 H new ATOM 0 HH12 ARG B 35 7.003 8.143 29.108 1.00 0.00 H new ATOM 0 HH21 ARG B 35 8.285 9.329 26.080 1.00 0.00 H new ATOM 0 HH22 ARG B 35 7.259 8.123 26.864 1.00 0.00 H new ATOM 1844 N GLU B 36 15.278 12.178 26.122 1.00 0.00 N ATOM 1845 CA GLU B 36 16.749 12.285 26.318 1.00 0.00 C ATOM 1846 C GLU B 36 17.234 13.602 25.711 1.00 0.00 C ATOM 1847 O GLU B 36 18.204 14.181 26.154 1.00 0.00 O ATOM 1848 CB GLU B 36 17.442 11.111 25.626 1.00 0.00 C ATOM 1849 CG GLU B 36 18.025 10.169 26.681 1.00 0.00 C ATOM 1850 CD GLU B 36 16.957 9.857 27.732 1.00 0.00 C ATOM 1851 OE1 GLU B 36 15.917 9.342 27.355 1.00 0.00 O ATOM 1852 OE2 GLU B 36 17.198 10.137 28.894 1.00 0.00 O ATOM 0 H GLU B 36 14.986 11.643 25.304 1.00 0.00 H new ATOM 0 HA GLU B 36 16.986 12.262 27.382 1.00 0.00 H new ATOM 0 HB2 GLU B 36 16.731 10.575 24.997 1.00 0.00 H new ATOM 0 HB3 GLU B 36 18.234 11.476 24.972 1.00 0.00 H new ATOM 0 HG2 GLU B 36 18.368 9.247 26.211 1.00 0.00 H new ATOM 0 HG3 GLU B 36 18.893 10.628 27.154 1.00 0.00 H new ATOM 1859 N ASN B 37 16.554 14.083 24.708 1.00 0.00 N ATOM 1860 CA ASN B 37 16.963 15.368 24.075 1.00 0.00 C ATOM 1861 C ASN B 37 16.514 16.524 24.965 1.00 0.00 C ATOM 1862 O ASN B 37 17.219 17.495 25.137 1.00 0.00 O ATOM 1863 CB ASN B 37 16.307 15.498 22.700 1.00 0.00 C ATOM 1864 CG ASN B 37 16.770 16.796 22.036 1.00 0.00 C ATOM 1865 OD1 ASN B 37 17.805 16.832 21.400 1.00 0.00 O ATOM 1866 ND2 ASN B 37 16.041 17.871 22.157 1.00 0.00 N ATOM 0 H ASN B 37 15.731 13.641 24.298 1.00 0.00 H new ATOM 0 HA ASN B 37 18.046 15.390 23.957 1.00 0.00 H new ATOM 0 HB2 ASN B 37 16.571 14.644 22.077 1.00 0.00 H new ATOM 0 HB3 ASN B 37 15.222 15.495 22.801 1.00 0.00 H new ATOM 0 HD21 ASN B 37 16.340 18.742 21.718 1.00 0.00 H new ATOM 0 HD22 ASN B 37 15.172 17.841 22.691 1.00 0.00 H new ATOM 1873 N THR B 38 15.349 16.421 25.543 1.00 0.00 N ATOM 1874 CA THR B 38 14.867 17.511 26.435 1.00 0.00 C ATOM 1875 C THR B 38 15.662 17.451 27.738 1.00 0.00 C ATOM 1876 O THR B 38 15.889 18.452 28.389 1.00 0.00 O ATOM 1877 CB THR B 38 13.377 17.317 26.730 1.00 0.00 C ATOM 1878 OG1 THR B 38 12.684 17.066 25.515 1.00 0.00 O ATOM 1879 CG2 THR B 38 12.818 18.580 27.389 1.00 0.00 C ATOM 0 H THR B 38 14.712 15.631 25.436 1.00 0.00 H new ATOM 0 HA THR B 38 15.006 18.479 25.954 1.00 0.00 H new ATOM 0 HB THR B 38 13.246 16.470 27.404 1.00 0.00 H new ATOM 0 HG1 THR B 38 12.282 16.173 25.546 1.00 0.00 H new ATOM 0 HG21 THR B 38 11.757 18.442 27.599 1.00 0.00 H new ATOM 0 HG22 THR B 38 13.351 18.770 28.321 1.00 0.00 H new ATOM 0 HG23 THR B 38 12.947 19.429 26.717 1.00 0.00 H new ATOM 1887 N LEU B 39 16.099 16.281 28.114 1.00 0.00 N ATOM 1888 CA LEU B 39 16.895 16.144 29.363 1.00 0.00 C ATOM 1889 C LEU B 39 18.292 16.716 29.123 1.00 0.00 C ATOM 1890 O LEU B 39 18.849 17.392 29.962 1.00 0.00 O ATOM 1891 CB LEU B 39 17.002 14.665 29.740 1.00 0.00 C ATOM 1892 CG LEU B 39 18.020 14.496 30.867 1.00 0.00 C ATOM 1893 CD1 LEU B 39 17.478 15.141 32.144 1.00 0.00 C ATOM 1894 CD2 LEU B 39 18.265 13.006 31.113 1.00 0.00 C ATOM 0 H LEU B 39 15.938 15.411 27.607 1.00 0.00 H new ATOM 0 HA LEU B 39 16.409 16.685 30.175 1.00 0.00 H new ATOM 0 HB2 LEU B 39 16.029 14.288 30.056 1.00 0.00 H new ATOM 0 HB3 LEU B 39 17.304 14.079 28.872 1.00 0.00 H new ATOM 0 HG LEU B 39 18.957 14.977 30.586 1.00 0.00 H new ATOM 0 HD11 LEU B 39 18.204 15.021 32.949 1.00 0.00 H new ATOM 0 HD12 LEU B 39 17.302 16.202 31.969 1.00 0.00 H new ATOM 0 HD13 LEU B 39 16.541 14.660 32.425 1.00 0.00 H new ATOM 0 HD21 LEU B 39 18.991 12.885 31.917 1.00 0.00 H new ATOM 0 HD22 LEU B 39 17.328 12.525 31.394 1.00 0.00 H new ATOM 0 HD23 LEU B 39 18.650 12.546 30.203 1.00 0.00 H new ATOM 1906 N LEU B 40 18.859 16.453 27.976 1.00 0.00 N ATOM 1907 CA LEU B 40 20.217 16.985 27.676 1.00 0.00 C ATOM 1908 C LEU B 40 20.097 18.454 27.267 1.00 0.00 C ATOM 1909 O LEU B 40 21.038 19.215 27.356 1.00 0.00 O ATOM 1910 CB LEU B 40 20.839 16.186 26.528 1.00 0.00 C ATOM 1911 CG LEU B 40 21.445 14.892 27.075 1.00 0.00 C ATOM 1912 CD1 LEU B 40 21.627 13.890 25.931 1.00 0.00 C ATOM 1913 CD2 LEU B 40 22.805 15.197 27.706 1.00 0.00 C ATOM 0 H LEU B 40 18.439 15.892 27.234 1.00 0.00 H new ATOM 0 HA LEU B 40 20.849 16.897 28.559 1.00 0.00 H new ATOM 0 HB2 LEU B 40 20.082 15.957 25.778 1.00 0.00 H new ATOM 0 HB3 LEU B 40 21.608 16.779 26.033 1.00 0.00 H new ATOM 0 HG LEU B 40 20.780 14.467 27.827 1.00 0.00 H new ATOM 0 HD11 LEU B 40 22.059 12.968 26.320 1.00 0.00 H new ATOM 0 HD12 LEU B 40 20.659 13.675 25.478 1.00 0.00 H new ATOM 0 HD13 LEU B 40 22.293 14.313 25.179 1.00 0.00 H new ATOM 0 HD21 LEU B 40 23.239 14.277 28.097 1.00 0.00 H new ATOM 0 HD22 LEU B 40 23.469 15.620 26.952 1.00 0.00 H new ATOM 0 HD23 LEU B 40 22.677 15.912 28.519 1.00 0.00 H new ATOM 1925 N LYS B 41 18.938 18.856 26.827 1.00 0.00 N ATOM 1926 CA LYS B 41 18.744 20.275 26.419 1.00 0.00 C ATOM 1927 C LYS B 41 18.538 21.122 27.672 1.00 0.00 C ATOM 1928 O LYS B 41 18.948 22.263 27.738 1.00 0.00 O ATOM 1929 CB LYS B 41 17.511 20.382 25.519 1.00 0.00 C ATOM 1930 CG LYS B 41 17.509 21.736 24.807 1.00 0.00 C ATOM 1931 CD LYS B 41 16.297 21.820 23.878 1.00 0.00 C ATOM 1932 CE LYS B 41 16.609 22.758 22.712 1.00 0.00 C ATOM 1933 NZ LYS B 41 16.580 21.991 21.435 1.00 0.00 N ATOM 0 H LYS B 41 18.115 18.262 26.732 1.00 0.00 H new ATOM 0 HA LYS B 41 19.618 20.629 25.872 1.00 0.00 H new ATOM 0 HB2 LYS B 41 17.512 19.575 24.786 1.00 0.00 H new ATOM 0 HB3 LYS B 41 16.604 20.271 26.113 1.00 0.00 H new ATOM 0 HG2 LYS B 41 17.477 22.544 25.538 1.00 0.00 H new ATOM 0 HG3 LYS B 41 18.429 21.860 24.235 1.00 0.00 H new ATOM 0 HD2 LYS B 41 16.044 20.828 23.503 1.00 0.00 H new ATOM 0 HD3 LYS B 41 15.429 22.183 24.428 1.00 0.00 H new ATOM 0 HE2 LYS B 41 15.881 23.568 22.678 1.00 0.00 H new ATOM 0 HE3 LYS B 41 17.588 23.215 22.852 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 16.792 22.629 20.642 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 17.291 21.233 21.469 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 15.636 21.575 21.301 1.00 0.00 H new ATOM 1947 N THR B 42 17.915 20.564 28.673 1.00 0.00 N ATOM 1948 CA THR B 42 17.692 21.326 29.932 1.00 0.00 C ATOM 1949 C THR B 42 18.962 21.257 30.778 1.00 0.00 C ATOM 1950 O THR B 42 19.328 22.203 31.446 1.00 0.00 O ATOM 1951 CB THR B 42 16.529 20.705 30.710 1.00 0.00 C ATOM 1952 OG1 THR B 42 16.751 19.309 30.856 1.00 0.00 O ATOM 1953 CG2 THR B 42 15.219 20.938 29.957 1.00 0.00 C ATOM 0 H THR B 42 17.550 19.611 28.673 1.00 0.00 H new ATOM 0 HA THR B 42 17.453 22.364 29.699 1.00 0.00 H new ATOM 0 HB THR B 42 16.464 21.170 31.694 1.00 0.00 H new ATOM 0 HG1 THR B 42 16.410 18.839 30.066 1.00 0.00 H new ATOM 0 HG21 THR B 42 14.395 20.494 30.515 1.00 0.00 H new ATOM 0 HG22 THR B 42 15.048 22.009 29.847 1.00 0.00 H new ATOM 0 HG23 THR B 42 15.279 20.477 28.971 1.00 0.00 H new ATOM 1961 N LEU B 43 19.641 20.143 30.746 1.00 0.00 N ATOM 1962 CA LEU B 43 20.894 20.007 31.540 1.00 0.00 C ATOM 1963 C LEU B 43 21.979 20.888 30.921 1.00 0.00 C ATOM 1964 O LEU B 43 22.654 21.631 31.604 1.00 0.00 O ATOM 1965 CB LEU B 43 21.353 18.548 31.528 1.00 0.00 C ATOM 1966 CG LEU B 43 22.756 18.452 32.129 1.00 0.00 C ATOM 1967 CD1 LEU B 43 22.759 17.417 33.258 1.00 0.00 C ATOM 1968 CD2 LEU B 43 23.747 18.025 31.044 1.00 0.00 C ATOM 0 H LEU B 43 19.381 19.320 30.203 1.00 0.00 H new ATOM 0 HA LEU B 43 20.711 20.318 32.568 1.00 0.00 H new ATOM 0 HB2 LEU B 43 20.658 17.932 32.099 1.00 0.00 H new ATOM 0 HB3 LEU B 43 21.355 18.164 30.508 1.00 0.00 H new ATOM 0 HG LEU B 43 23.048 19.424 32.527 1.00 0.00 H new ATOM 0 HD11 LEU B 43 23.759 17.349 33.686 1.00 0.00 H new ATOM 0 HD12 LEU B 43 22.053 17.720 34.031 1.00 0.00 H new ATOM 0 HD13 LEU B 43 22.467 16.445 32.861 1.00 0.00 H new ATOM 0 HD21 LEU B 43 24.747 17.956 31.472 1.00 0.00 H new ATOM 0 HD22 LEU B 43 23.455 17.053 30.646 1.00 0.00 H new ATOM 0 HD23 LEU B 43 23.746 18.761 30.240 1.00 0.00 H new ATOM 1980 N ALA B 44 22.147 20.815 29.629 1.00 0.00 N ATOM 1981 CA ALA B 44 23.183 21.654 28.964 1.00 0.00 C ATOM 1982 C ALA B 44 22.704 23.105 28.930 1.00 0.00 C ATOM 1983 O ALA B 44 23.471 24.028 29.118 1.00 0.00 O ATOM 1984 CB ALA B 44 23.404 21.156 27.534 1.00 0.00 C ATOM 0 H ALA B 44 21.612 20.211 29.006 1.00 0.00 H new ATOM 0 HA ALA B 44 24.120 21.588 29.517 1.00 0.00 H new ATOM 0 HB1 ALA B 44 24.162 21.770 27.048 1.00 0.00 H new ATOM 0 HB2 ALA B 44 23.738 20.119 27.557 1.00 0.00 H new ATOM 0 HB3 ALA B 44 22.470 21.224 26.977 1.00 0.00 H new ATOM 1990 N SER B 45 21.437 23.310 28.696 1.00 0.00 N ATOM 1991 CA SER B 45 20.896 24.697 28.651 1.00 0.00 C ATOM 1992 C SER B 45 19.629 24.774 29.512 1.00 0.00 C ATOM 1993 O SER B 45 18.547 24.483 29.041 1.00 0.00 O ATOM 1994 CB SER B 45 20.550 25.060 27.205 1.00 0.00 C ATOM 1995 OG SER B 45 19.364 24.376 26.821 1.00 0.00 O ATOM 0 H SER B 45 20.751 22.573 28.533 1.00 0.00 H new ATOM 0 HA SER B 45 21.642 25.394 29.033 1.00 0.00 H new ATOM 0 HB2 SER B 45 20.409 26.137 27.112 1.00 0.00 H new ATOM 0 HB3 SER B 45 21.372 24.787 26.543 1.00 0.00 H new ATOM 0 HG SER B 45 19.098 23.758 27.533 1.00 0.00 H new ATOM 2001 N PRO B 46 19.805 25.159 30.751 1.00 0.00 N ATOM 2002 CA PRO B 46 18.691 25.278 31.712 1.00 0.00 C ATOM 2003 C PRO B 46 17.865 26.538 31.433 1.00 0.00 C ATOM 2004 O PRO B 46 16.659 26.486 31.331 1.00 0.00 O ATOM 2005 CB PRO B 46 19.394 25.371 33.070 1.00 0.00 C ATOM 2006 CG PRO B 46 20.833 25.858 32.782 1.00 0.00 C ATOM 2007 CD PRO B 46 21.126 25.519 31.308 1.00 0.00 C ATOM 0 HA PRO B 46 17.991 24.445 31.657 1.00 0.00 H new ATOM 0 HB2 PRO B 46 18.874 26.065 33.730 1.00 0.00 H new ATOM 0 HB3 PRO B 46 19.404 24.402 33.570 1.00 0.00 H new ATOM 0 HG2 PRO B 46 20.922 26.930 32.958 1.00 0.00 H new ATOM 0 HG3 PRO B 46 21.548 25.366 33.442 1.00 0.00 H new ATOM 0 HD2 PRO B 46 21.562 26.369 30.783 1.00 0.00 H new ATOM 0 HD3 PRO B 46 21.833 24.694 31.222 1.00 0.00 H new