USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=9 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: A 30 ASN : amide:sc= -5.36! C(o=-6.3!,f=-18!) USER MOD Set 1.2: B 30 ASN :FLIP amide:sc= -0.898 F(o=-7.9!,f=-6.3) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.0057) USER MOD Single : A 37 ASN : amide:sc= -0.139 K(o=-0.14,f=-0.72) USER MOD Single : A 38 THR OG1 : rot 85:sc= 1.05 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -109:sc= 0.706 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= -0.0174 X(o=-0.017,f=-0.0099) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 SER OG : rot -36:sc= 0.768 USER MOD Single : B 32 GLN : amide:sc= -0.247 K(o=-0.25,f=-1.5!) USER MOD Single : B 37 ASN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : B 38 THR OG1 : rot 97:sc= 1.2 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 THR OG1 : rot 101:sc= 0.72 USER MOD Single : B 45 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 261 N VAL A 16 -1.010 4.256 1.521 1.00 0.00 N ATOM 262 CA VAL A 16 -1.284 5.234 2.609 1.00 0.00 C ATOM 263 C VAL A 16 -0.278 6.387 2.518 1.00 0.00 C ATOM 264 O VAL A 16 0.799 6.335 3.074 1.00 0.00 O ATOM 265 CB VAL A 16 -1.154 4.533 3.958 1.00 0.00 C ATOM 266 CG1 VAL A 16 0.217 3.866 4.056 1.00 0.00 C ATOM 267 CG2 VAL A 16 -1.289 5.560 5.072 1.00 0.00 C ATOM 0 HA VAL A 16 -2.294 5.631 2.507 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.935 3.779 4.053 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.310 3.365 5.020 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.324 3.134 3.255 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.997 4.622 3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.197 5.063 6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.504 6.310 4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.263 6.044 5.005 1.00 0.00 H new ATOM 277 N GLU A 17 -0.627 7.420 1.803 1.00 0.00 N ATOM 278 CA GLU A 17 0.293 8.580 1.641 1.00 0.00 C ATOM 279 C GLU A 17 0.510 9.293 2.976 1.00 0.00 C ATOM 280 O GLU A 17 1.592 9.755 3.264 1.00 0.00 O ATOM 281 CB GLU A 17 -0.321 9.566 0.649 1.00 0.00 C ATOM 282 CG GLU A 17 0.649 10.725 0.412 1.00 0.00 C ATOM 283 CD GLU A 17 0.092 11.991 1.063 1.00 0.00 C ATOM 284 OE1 GLU A 17 -1.058 12.306 0.807 1.00 0.00 O ATOM 285 OE2 GLU A 17 0.824 12.622 1.808 1.00 0.00 O ATOM 0 H GLU A 17 -1.520 7.511 1.319 1.00 0.00 H new ATOM 0 HA GLU A 17 1.254 8.216 1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.539 9.062 -0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.268 9.944 1.035 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.627 10.487 0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.790 10.884 -0.657 1.00 0.00 H new ATOM 292 N ILE A 18 -0.505 9.407 3.786 1.00 0.00 N ATOM 293 CA ILE A 18 -0.329 10.115 5.085 1.00 0.00 C ATOM 294 C ILE A 18 0.625 9.328 5.984 1.00 0.00 C ATOM 295 O ILE A 18 1.580 9.867 6.502 1.00 0.00 O ATOM 296 CB ILE A 18 -1.684 10.278 5.782 1.00 0.00 C ATOM 297 CG1 ILE A 18 -2.312 8.904 6.026 1.00 0.00 C ATOM 298 CG2 ILE A 18 -2.612 11.112 4.899 1.00 0.00 C ATOM 299 CD1 ILE A 18 -3.752 9.081 6.509 1.00 0.00 C ATOM 0 H ILE A 18 -1.441 9.044 3.608 1.00 0.00 H new ATOM 0 HA ILE A 18 0.093 11.102 4.894 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.538 10.780 6.738 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.294 8.316 5.108 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.733 8.354 6.768 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.576 11.229 5.393 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.169 12.094 4.731 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.753 10.609 3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.200 8.103 6.683 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.757 9.653 7.437 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.327 9.614 5.752 1.00 0.00 H new ATOM 311 N LEU A 19 0.383 8.061 6.177 1.00 0.00 N ATOM 312 CA LEU A 19 1.293 7.265 7.050 1.00 0.00 C ATOM 313 C LEU A 19 2.631 7.061 6.341 1.00 0.00 C ATOM 314 O LEU A 19 3.636 6.798 6.967 1.00 0.00 O ATOM 315 CB LEU A 19 0.665 5.908 7.377 1.00 0.00 C ATOM 316 CG LEU A 19 0.982 5.545 8.828 1.00 0.00 C ATOM 317 CD1 LEU A 19 -0.255 5.776 9.699 1.00 0.00 C ATOM 318 CD2 LEU A 19 1.392 4.074 8.910 1.00 0.00 C ATOM 0 H LEU A 19 -0.398 7.545 5.772 1.00 0.00 H new ATOM 0 HA LEU A 19 1.454 7.807 7.982 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.414 5.947 7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.053 5.143 6.705 1.00 0.00 H new ATOM 0 HG LEU A 19 1.799 6.172 9.185 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.026 5.516 10.733 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.548 6.825 9.645 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.074 5.152 9.341 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.618 3.816 9.945 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.575 3.448 8.550 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.275 3.908 8.294 1.00 0.00 H new ATOM 330 N LYS A 20 2.661 7.200 5.045 1.00 0.00 N ATOM 331 CA LYS A 20 3.947 7.037 4.317 1.00 0.00 C ATOM 332 C LYS A 20 4.809 8.267 4.597 1.00 0.00 C ATOM 333 O LYS A 20 5.994 8.172 4.852 1.00 0.00 O ATOM 334 CB LYS A 20 3.677 6.926 2.814 1.00 0.00 C ATOM 335 CG LYS A 20 3.583 5.451 2.422 1.00 0.00 C ATOM 336 CD LYS A 20 4.678 5.123 1.408 1.00 0.00 C ATOM 337 CE LYS A 20 5.870 4.494 2.131 1.00 0.00 C ATOM 338 NZ LYS A 20 7.136 5.010 1.540 1.00 0.00 N ATOM 0 H LYS A 20 1.853 7.419 4.462 1.00 0.00 H new ATOM 0 HA LYS A 20 4.459 6.133 4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.750 7.441 2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.475 7.413 2.253 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.690 4.821 3.305 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.602 5.239 1.996 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.295 4.438 0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.991 6.029 0.888 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.830 4.730 3.194 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.831 3.408 2.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.947 4.583 2.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.173 4.764 0.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.172 6.044 1.646 1.00 0.00 H new ATOM 352 N GLU A 21 4.209 9.424 4.573 1.00 0.00 N ATOM 353 CA GLU A 21 4.971 10.666 4.855 1.00 0.00 C ATOM 354 C GLU A 21 5.072 10.837 6.370 1.00 0.00 C ATOM 355 O GLU A 21 5.886 11.584 6.864 1.00 0.00 O ATOM 356 CB GLU A 21 4.258 11.870 4.224 1.00 0.00 C ATOM 357 CG GLU A 21 3.085 12.315 5.103 1.00 0.00 C ATOM 358 CD GLU A 21 2.523 13.634 4.570 1.00 0.00 C ATOM 359 OE1 GLU A 21 3.302 14.425 4.063 1.00 0.00 O ATOM 360 OE2 GLU A 21 1.324 13.831 4.677 1.00 0.00 O ATOM 0 H GLU A 21 3.219 9.561 4.369 1.00 0.00 H new ATOM 0 HA GLU A 21 5.971 10.601 4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.961 12.694 4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.897 11.607 3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.308 11.551 5.106 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.415 12.438 6.134 1.00 0.00 H new ATOM 367 N GLN A 22 4.260 10.132 7.110 1.00 0.00 N ATOM 368 CA GLN A 22 4.329 10.237 8.591 1.00 0.00 C ATOM 369 C GLN A 22 5.499 9.378 9.064 1.00 0.00 C ATOM 370 O GLN A 22 6.217 9.731 9.976 1.00 0.00 O ATOM 371 CB GLN A 22 3.025 9.728 9.211 1.00 0.00 C ATOM 372 CG GLN A 22 2.695 10.552 10.459 1.00 0.00 C ATOM 373 CD GLN A 22 1.768 11.710 10.081 1.00 0.00 C ATOM 374 OE1 GLN A 22 0.597 11.509 9.826 1.00 0.00 O ATOM 375 NE2 GLN A 22 2.246 12.924 10.038 1.00 0.00 N ATOM 0 H GLN A 22 3.554 9.489 6.752 1.00 0.00 H new ATOM 0 HA GLN A 22 4.471 11.275 8.894 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.213 9.803 8.488 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.122 8.674 9.473 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.217 9.920 11.208 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.612 10.938 10.905 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.229 13.093 10.252 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.637 13.704 9.790 1.00 0.00 H new ATOM 384 N ILE A 23 5.713 8.262 8.420 1.00 0.00 N ATOM 385 CA ILE A 23 6.854 7.392 8.799 1.00 0.00 C ATOM 386 C ILE A 23 8.126 8.033 8.259 1.00 0.00 C ATOM 387 O ILE A 23 9.183 7.937 8.845 1.00 0.00 O ATOM 388 CB ILE A 23 6.675 6.001 8.189 1.00 0.00 C ATOM 389 CG1 ILE A 23 5.559 5.263 8.930 1.00 0.00 C ATOM 390 CG2 ILE A 23 7.981 5.215 8.324 1.00 0.00 C ATOM 391 CD1 ILE A 23 5.518 3.803 8.474 1.00 0.00 C ATOM 0 H ILE A 23 5.143 7.918 7.647 1.00 0.00 H new ATOM 0 HA ILE A 23 6.909 7.287 9.883 1.00 0.00 H new ATOM 0 HB ILE A 23 6.414 6.095 7.135 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.727 5.314 10.006 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.600 5.743 8.735 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.855 4.223 7.890 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.779 5.742 7.800 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.241 5.119 9.378 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.722 3.279 9.003 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.329 3.762 7.401 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.474 3.327 8.692 1.00 0.00 H new ATOM 403 N ARG A 24 8.021 8.711 7.149 1.00 0.00 N ATOM 404 CA ARG A 24 9.210 9.390 6.577 1.00 0.00 C ATOM 405 C ARG A 24 9.498 10.627 7.424 1.00 0.00 C ATOM 406 O ARG A 24 10.633 11.010 7.624 1.00 0.00 O ATOM 407 CB ARG A 24 8.917 9.806 5.134 1.00 0.00 C ATOM 408 CG ARG A 24 10.143 9.520 4.264 1.00 0.00 C ATOM 409 CD ARG A 24 9.750 9.605 2.788 1.00 0.00 C ATOM 410 NE ARG A 24 10.285 10.866 2.202 1.00 0.00 N ATOM 411 CZ ARG A 24 9.552 11.563 1.377 1.00 0.00 C ATOM 412 NH1 ARG A 24 8.863 10.959 0.448 1.00 0.00 N ATOM 413 NH2 ARG A 24 9.513 12.863 1.477 1.00 0.00 N ATOM 0 H ARG A 24 7.159 8.822 6.615 1.00 0.00 H new ATOM 0 HA ARG A 24 10.071 8.721 6.580 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.053 9.260 4.755 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.668 10.866 5.093 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.933 10.238 4.483 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.540 8.530 4.490 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.143 8.745 2.246 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.665 9.577 2.688 1.00 0.00 H new ATOM 0 HE ARG A 24 11.223 11.184 2.445 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.897 9.943 0.367 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.290 11.503 -0.197 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.056 13.335 2.200 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.940 13.407 0.832 1.00 0.00 H new ATOM 427 N GLU A 25 8.468 11.239 7.945 1.00 0.00 N ATOM 428 CA GLU A 25 8.661 12.438 8.803 1.00 0.00 C ATOM 429 C GLU A 25 9.046 11.969 10.200 1.00 0.00 C ATOM 430 O GLU A 25 9.648 12.690 10.964 1.00 0.00 O ATOM 431 CB GLU A 25 7.363 13.244 8.873 1.00 0.00 C ATOM 432 CG GLU A 25 7.476 14.473 7.970 1.00 0.00 C ATOM 433 CD GLU A 25 6.855 14.165 6.607 1.00 0.00 C ATOM 434 OE1 GLU A 25 5.638 14.164 6.519 1.00 0.00 O ATOM 435 OE2 GLU A 25 7.605 13.937 5.672 1.00 0.00 O ATOM 0 H GLU A 25 7.497 10.956 7.811 1.00 0.00 H new ATOM 0 HA GLU A 25 9.444 13.072 8.387 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.521 12.626 8.560 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.168 13.551 9.901 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.969 15.322 8.429 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.522 14.754 7.849 1.00 0.00 H new ATOM 442 N LEU A 26 8.719 10.749 10.530 1.00 0.00 N ATOM 443 CA LEU A 26 9.090 10.216 11.866 1.00 0.00 C ATOM 444 C LEU A 26 10.557 9.808 11.805 1.00 0.00 C ATOM 445 O LEU A 26 11.300 9.950 12.755 1.00 0.00 O ATOM 446 CB LEU A 26 8.227 8.995 12.196 1.00 0.00 C ATOM 447 CG LEU A 26 7.447 9.254 13.485 1.00 0.00 C ATOM 448 CD1 LEU A 26 6.455 10.395 13.261 1.00 0.00 C ATOM 449 CD2 LEU A 26 6.682 7.987 13.879 1.00 0.00 C ATOM 0 H LEU A 26 8.210 10.100 9.930 1.00 0.00 H new ATOM 0 HA LEU A 26 8.931 10.969 12.638 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.538 8.791 11.376 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.856 8.112 12.310 1.00 0.00 H new ATOM 0 HG LEU A 26 8.140 9.526 14.281 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.899 10.579 14.180 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.996 11.297 12.977 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.761 10.123 12.466 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.125 8.169 14.798 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.989 7.718 13.082 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.387 7.171 14.038 1.00 0.00 H new ATOM 461 N VAL A 27 10.980 9.325 10.668 1.00 0.00 N ATOM 462 CA VAL A 27 12.400 8.928 10.502 1.00 0.00 C ATOM 463 C VAL A 27 13.218 10.195 10.268 1.00 0.00 C ATOM 464 O VAL A 27 14.377 10.273 10.615 1.00 0.00 O ATOM 465 CB VAL A 27 12.535 7.995 9.297 1.00 0.00 C ATOM 466 CG1 VAL A 27 14.015 7.782 8.975 1.00 0.00 C ATOM 467 CG2 VAL A 27 11.885 6.648 9.623 1.00 0.00 C ATOM 0 H VAL A 27 10.395 9.189 9.843 1.00 0.00 H new ATOM 0 HA VAL A 27 12.756 8.406 11.390 1.00 0.00 H new ATOM 0 HB VAL A 27 12.039 8.442 8.435 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.109 7.117 8.116 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.479 8.741 8.744 1.00 0.00 H new ATOM 0 HG13 VAL A 27 14.514 7.336 9.835 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.980 5.981 8.766 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.382 6.203 10.485 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.830 6.799 9.850 1.00 0.00 H new ATOM 477 N GLU A 28 12.606 11.197 9.698 1.00 0.00 N ATOM 478 CA GLU A 28 13.328 12.474 9.460 1.00 0.00 C ATOM 479 C GLU A 28 13.391 13.238 10.780 1.00 0.00 C ATOM 480 O GLU A 28 14.353 13.917 11.078 1.00 0.00 O ATOM 481 CB GLU A 28 12.575 13.304 8.417 1.00 0.00 C ATOM 482 CG GLU A 28 13.451 13.482 7.175 1.00 0.00 C ATOM 483 CD GLU A 28 12.617 13.219 5.919 1.00 0.00 C ATOM 484 OE1 GLU A 28 11.402 13.218 6.027 1.00 0.00 O ATOM 485 OE2 GLU A 28 13.210 13.024 4.871 1.00 0.00 O ATOM 0 H GLU A 28 11.635 11.184 9.387 1.00 0.00 H new ATOM 0 HA GLU A 28 14.334 12.277 9.091 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.641 12.809 8.148 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.312 14.277 8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.860 14.492 7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.297 12.796 7.213 1.00 0.00 H new ATOM 492 N LYS A 29 12.371 13.106 11.583 1.00 0.00 N ATOM 493 CA LYS A 29 12.358 13.797 12.900 1.00 0.00 C ATOM 494 C LYS A 29 13.190 12.975 13.875 1.00 0.00 C ATOM 495 O LYS A 29 13.717 13.482 14.840 1.00 0.00 O ATOM 496 CB LYS A 29 10.921 13.907 13.414 1.00 0.00 C ATOM 497 CG LYS A 29 10.840 15.016 14.465 1.00 0.00 C ATOM 498 CD LYS A 29 9.384 15.213 14.892 1.00 0.00 C ATOM 499 CE LYS A 29 9.223 16.590 15.540 1.00 0.00 C ATOM 500 NZ LYS A 29 8.323 16.480 16.723 1.00 0.00 N ATOM 0 H LYS A 29 11.543 12.546 11.381 1.00 0.00 H new ATOM 0 HA LYS A 29 12.771 14.801 12.802 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.243 14.123 12.588 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.604 12.958 13.846 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.451 14.757 15.330 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.239 15.945 14.059 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.726 15.127 14.027 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.091 14.433 15.594 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.196 16.977 15.844 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.810 17.297 14.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.213 17.416 17.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.392 16.129 16.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.735 15.819 17.412 1.00 0.00 H new ATOM 514 N ASN A 30 13.323 11.705 13.614 1.00 0.00 N ATOM 515 CA ASN A 30 14.138 10.841 14.506 1.00 0.00 C ATOM 516 C ASN A 30 15.612 11.099 14.203 1.00 0.00 C ATOM 517 O ASN A 30 16.431 11.201 15.093 1.00 0.00 O ATOM 518 CB ASN A 30 13.810 9.370 14.237 1.00 0.00 C ATOM 519 CG ASN A 30 12.998 8.806 15.401 1.00 0.00 C ATOM 520 OD1 ASN A 30 12.603 9.533 16.291 1.00 0.00 O ATOM 521 ND2 ASN A 30 12.728 7.530 15.433 1.00 0.00 N ATOM 0 H ASN A 30 12.900 11.228 12.818 1.00 0.00 H new ATOM 0 HA ASN A 30 13.921 11.066 15.550 1.00 0.00 H new ATOM 0 HB2 ASN A 30 13.247 9.276 13.308 1.00 0.00 H new ATOM 0 HB3 ASN A 30 14.730 8.799 14.111 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.185 7.143 16.205 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.059 6.920 14.686 1.00 0.00 H new ATOM 528 N SER A 31 15.950 11.225 12.948 1.00 0.00 N ATOM 529 CA SER A 31 17.365 11.494 12.579 1.00 0.00 C ATOM 530 C SER A 31 17.686 12.949 12.915 1.00 0.00 C ATOM 531 O SER A 31 18.798 13.285 13.264 1.00 0.00 O ATOM 532 CB SER A 31 17.567 11.254 11.082 1.00 0.00 C ATOM 533 OG SER A 31 18.016 9.920 10.878 1.00 0.00 O ATOM 0 H SER A 31 15.304 11.153 12.162 1.00 0.00 H new ATOM 0 HA SER A 31 18.026 10.827 13.133 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.633 11.422 10.545 1.00 0.00 H new ATOM 0 HB3 SER A 31 18.295 11.960 10.683 1.00 0.00 H new ATOM 0 HG SER A 31 18.145 9.761 9.920 1.00 0.00 H new ATOM 539 N GLN A 32 16.711 13.812 12.825 1.00 0.00 N ATOM 540 CA GLN A 32 16.950 15.243 13.155 1.00 0.00 C ATOM 541 C GLN A 32 17.107 15.376 14.669 1.00 0.00 C ATOM 542 O GLN A 32 17.952 16.098 15.156 1.00 0.00 O ATOM 543 CB GLN A 32 15.758 16.082 12.687 1.00 0.00 C ATOM 544 CG GLN A 32 15.807 16.236 11.166 1.00 0.00 C ATOM 545 CD GLN A 32 16.517 17.542 10.808 1.00 0.00 C ATOM 546 OE1 GLN A 32 17.535 17.531 10.147 1.00 0.00 O ATOM 547 NE2 GLN A 32 16.021 18.675 11.221 1.00 0.00 N ATOM 0 H GLN A 32 15.759 13.586 12.537 1.00 0.00 H new ATOM 0 HA GLN A 32 17.852 15.595 12.655 1.00 0.00 H new ATOM 0 HB2 GLN A 32 14.825 15.604 12.985 1.00 0.00 H new ATOM 0 HB3 GLN A 32 15.781 17.062 13.163 1.00 0.00 H new ATOM 0 HG2 GLN A 32 16.332 15.391 10.721 1.00 0.00 H new ATOM 0 HG3 GLN A 32 14.797 16.235 10.757 1.00 0.00 H new ATOM 0 HE21 GLN A 32 15.166 18.685 11.776 1.00 0.00 H new ATOM 0 HE22 GLN A 32 16.488 19.551 10.989 1.00 0.00 H new ATOM 556 N LEU A 33 16.304 14.669 15.415 1.00 0.00 N ATOM 557 CA LEU A 33 16.408 14.738 16.897 1.00 0.00 C ATOM 558 C LEU A 33 17.559 13.842 17.346 1.00 0.00 C ATOM 559 O LEU A 33 18.075 13.979 18.434 1.00 0.00 O ATOM 560 CB LEU A 33 15.102 14.266 17.538 1.00 0.00 C ATOM 561 CG LEU A 33 14.631 15.308 18.556 1.00 0.00 C ATOM 562 CD1 LEU A 33 13.863 16.418 17.836 1.00 0.00 C ATOM 563 CD2 LEU A 33 13.716 14.642 19.586 1.00 0.00 C ATOM 0 H LEU A 33 15.579 14.045 15.060 1.00 0.00 H new ATOM 0 HA LEU A 33 16.593 15.767 17.206 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.340 14.119 16.772 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.251 13.304 18.028 1.00 0.00 H new ATOM 0 HG LEU A 33 15.497 15.735 19.062 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.528 17.159 18.562 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.515 16.896 17.104 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.998 15.991 17.328 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.382 15.385 20.310 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.851 14.213 19.081 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.263 13.853 20.102 1.00 0.00 H new ATOM 575 N GLU A 34 17.976 12.941 16.502 1.00 0.00 N ATOM 576 CA GLU A 34 19.112 12.054 16.866 1.00 0.00 C ATOM 577 C GLU A 34 20.401 12.849 16.679 1.00 0.00 C ATOM 578 O GLU A 34 21.343 12.726 17.437 1.00 0.00 O ATOM 579 CB GLU A 34 19.118 10.827 15.951 1.00 0.00 C ATOM 580 CG GLU A 34 20.171 9.829 16.437 1.00 0.00 C ATOM 581 CD GLU A 34 19.818 8.430 15.932 1.00 0.00 C ATOM 582 OE1 GLU A 34 19.492 8.308 14.762 1.00 0.00 O ATOM 583 OE2 GLU A 34 19.879 7.504 16.724 1.00 0.00 O ATOM 0 H GLU A 34 17.579 12.781 15.576 1.00 0.00 H new ATOM 0 HA GLU A 34 19.022 11.716 17.898 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.134 10.359 15.947 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.333 11.127 14.925 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.157 10.120 16.075 1.00 0.00 H new ATOM 0 HG3 GLU A 34 20.217 9.833 17.526 1.00 0.00 H new ATOM 590 N ARG A 35 20.433 13.689 15.681 1.00 0.00 N ATOM 591 CA ARG A 35 21.637 14.526 15.442 1.00 0.00 C ATOM 592 C ARG A 35 21.601 15.702 16.417 1.00 0.00 C ATOM 593 O ARG A 35 22.620 16.170 16.881 1.00 0.00 O ATOM 594 CB ARG A 35 21.626 15.045 14.004 1.00 0.00 C ATOM 595 CG ARG A 35 21.441 13.872 13.041 1.00 0.00 C ATOM 596 CD ARG A 35 22.794 13.477 12.446 1.00 0.00 C ATOM 597 NE ARG A 35 23.693 12.996 13.531 1.00 0.00 N ATOM 598 CZ ARG A 35 24.985 12.973 13.346 1.00 0.00 C ATOM 599 NH1 ARG A 35 25.469 12.622 12.185 1.00 0.00 N ATOM 600 NH2 ARG A 35 25.790 13.306 14.318 1.00 0.00 N ATOM 0 H ARG A 35 19.671 13.830 15.018 1.00 0.00 H new ATOM 0 HA ARG A 35 22.542 13.939 15.594 1.00 0.00 H new ATOM 0 HB2 ARG A 35 20.821 15.768 13.873 1.00 0.00 H new ATOM 0 HB3 ARG A 35 22.559 15.565 13.786 1.00 0.00 H new ATOM 0 HG2 ARG A 35 21.002 13.024 13.566 1.00 0.00 H new ATOM 0 HG3 ARG A 35 20.749 14.148 12.245 1.00 0.00 H new ATOM 0 HD2 ARG A 35 22.660 12.696 11.698 1.00 0.00 H new ATOM 0 HD3 ARG A 35 23.243 14.331 11.939 1.00 0.00 H new ATOM 0 HE ARG A 35 23.299 12.684 14.419 1.00 0.00 H new ATOM 0 HH11 ARG A 35 24.838 12.367 11.425 1.00 0.00 H new ATOM 0 HH12 ARG A 35 26.478 12.603 12.038 1.00 0.00 H new ATOM 0 HH21 ARG A 35 25.410 13.584 15.223 1.00 0.00 H new ATOM 0 HH22 ARG A 35 26.799 13.288 14.173 1.00 0.00 H new ATOM 614 N GLU A 36 20.425 16.169 16.745 1.00 0.00 N ATOM 615 CA GLU A 36 20.310 17.297 17.706 1.00 0.00 C ATOM 616 C GLU A 36 20.604 16.762 19.107 1.00 0.00 C ATOM 617 O GLU A 36 21.153 17.447 19.945 1.00 0.00 O ATOM 618 CB GLU A 36 18.888 17.864 17.663 1.00 0.00 C ATOM 619 CG GLU A 36 18.934 19.341 17.265 1.00 0.00 C ATOM 620 CD GLU A 36 17.912 19.603 16.157 1.00 0.00 C ATOM 621 OE1 GLU A 36 18.254 19.401 15.004 1.00 0.00 O ATOM 622 OE2 GLU A 36 16.805 20.000 16.481 1.00 0.00 O ATOM 0 H GLU A 36 19.539 15.814 16.386 1.00 0.00 H new ATOM 0 HA GLU A 36 21.015 18.087 17.447 1.00 0.00 H new ATOM 0 HB2 GLU A 36 18.284 17.304 16.949 1.00 0.00 H new ATOM 0 HB3 GLU A 36 18.413 17.755 18.638 1.00 0.00 H new ATOM 0 HG2 GLU A 36 18.718 19.968 18.130 1.00 0.00 H new ATOM 0 HG3 GLU A 36 19.934 19.605 16.922 1.00 0.00 H new ATOM 629 N ASN A 37 20.255 15.530 19.353 1.00 0.00 N ATOM 630 CA ASN A 37 20.521 14.923 20.685 1.00 0.00 C ATOM 631 C ASN A 37 21.988 14.508 20.740 1.00 0.00 C ATOM 632 O ASN A 37 22.608 14.508 21.783 1.00 0.00 O ATOM 633 CB ASN A 37 19.630 13.695 20.882 1.00 0.00 C ATOM 634 CG ASN A 37 20.136 12.883 22.076 1.00 0.00 C ATOM 635 OD1 ASN A 37 19.788 13.163 23.207 1.00 0.00 O ATOM 636 ND2 ASN A 37 20.950 11.884 21.872 1.00 0.00 N ATOM 0 H ASN A 37 19.794 14.914 18.683 1.00 0.00 H new ATOM 0 HA ASN A 37 20.304 15.643 21.474 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.598 14.004 21.050 1.00 0.00 H new ATOM 0 HB3 ASN A 37 19.636 13.080 19.982 1.00 0.00 H new ATOM 0 HD21 ASN A 37 21.295 11.338 22.661 1.00 0.00 H new ATOM 0 HD22 ASN A 37 21.242 11.649 20.923 1.00 0.00 H new ATOM 643 N THR A 38 22.554 14.168 19.616 1.00 0.00 N ATOM 644 CA THR A 38 23.987 13.776 19.598 1.00 0.00 C ATOM 645 C THR A 38 24.829 15.048 19.675 1.00 0.00 C ATOM 646 O THR A 38 25.934 15.051 20.175 1.00 0.00 O ATOM 647 CB THR A 38 24.301 13.031 18.297 1.00 0.00 C ATOM 648 OG1 THR A 38 23.725 11.733 18.346 1.00 0.00 O ATOM 649 CG2 THR A 38 25.816 12.913 18.125 1.00 0.00 C ATOM 0 H THR A 38 22.085 14.145 18.710 1.00 0.00 H new ATOM 0 HA THR A 38 24.210 13.122 20.441 1.00 0.00 H new ATOM 0 HB THR A 38 23.885 13.582 17.454 1.00 0.00 H new ATOM 0 HG1 THR A 38 22.791 11.778 18.052 1.00 0.00 H new ATOM 0 HG21 THR A 38 26.037 12.383 17.199 1.00 0.00 H new ATOM 0 HG22 THR A 38 26.257 13.909 18.087 1.00 0.00 H new ATOM 0 HG23 THR A 38 26.236 12.363 18.967 1.00 0.00 H new ATOM 657 N LEU A 39 24.297 16.136 19.186 1.00 0.00 N ATOM 658 CA LEU A 39 25.042 17.423 19.223 1.00 0.00 C ATOM 659 C LEU A 39 24.911 18.042 20.613 1.00 0.00 C ATOM 660 O LEU A 39 25.835 18.638 21.125 1.00 0.00 O ATOM 661 CB LEU A 39 24.457 18.377 18.181 1.00 0.00 C ATOM 662 CG LEU A 39 25.592 19.003 17.368 1.00 0.00 C ATOM 663 CD1 LEU A 39 26.473 17.898 16.783 1.00 0.00 C ATOM 664 CD2 LEU A 39 25.003 19.839 16.227 1.00 0.00 C ATOM 0 H LEU A 39 23.372 16.186 18.760 1.00 0.00 H new ATOM 0 HA LEU A 39 26.094 17.245 19.002 1.00 0.00 H new ATOM 0 HB2 LEU A 39 23.777 17.839 17.521 1.00 0.00 H new ATOM 0 HB3 LEU A 39 23.875 19.156 18.672 1.00 0.00 H new ATOM 0 HG LEU A 39 26.191 19.641 18.017 1.00 0.00 H new ATOM 0 HD11 LEU A 39 27.281 18.345 16.204 1.00 0.00 H new ATOM 0 HD12 LEU A 39 26.894 17.301 17.592 1.00 0.00 H new ATOM 0 HD13 LEU A 39 25.873 17.259 16.135 1.00 0.00 H new ATOM 0 HD21 LEU A 39 25.812 20.285 15.648 1.00 0.00 H new ATOM 0 HD22 LEU A 39 24.403 19.200 15.580 1.00 0.00 H new ATOM 0 HD23 LEU A 39 24.375 20.628 16.641 1.00 0.00 H new ATOM 676 N LEU A 40 23.772 17.905 21.232 1.00 0.00 N ATOM 677 CA LEU A 40 23.594 18.486 22.589 1.00 0.00 C ATOM 678 C LEU A 40 24.212 17.529 23.616 1.00 0.00 C ATOM 679 O LEU A 40 24.657 17.934 24.670 1.00 0.00 O ATOM 680 CB LEU A 40 22.089 18.730 22.844 1.00 0.00 C ATOM 681 CG LEU A 40 21.562 17.887 24.010 1.00 0.00 C ATOM 682 CD1 LEU A 40 20.122 18.304 24.320 1.00 0.00 C ATOM 683 CD2 LEU A 40 21.591 16.410 23.621 1.00 0.00 C ATOM 0 H LEU A 40 22.959 17.417 20.857 1.00 0.00 H new ATOM 0 HA LEU A 40 24.100 19.447 22.677 1.00 0.00 H new ATOM 0 HB2 LEU A 40 21.924 19.786 23.056 1.00 0.00 H new ATOM 0 HB3 LEU A 40 21.525 18.494 21.942 1.00 0.00 H new ATOM 0 HG LEU A 40 22.187 18.043 24.889 1.00 0.00 H new ATOM 0 HD11 LEU A 40 19.741 17.708 25.149 1.00 0.00 H new ATOM 0 HD12 LEU A 40 20.099 19.359 24.592 1.00 0.00 H new ATOM 0 HD13 LEU A 40 19.499 18.142 23.440 1.00 0.00 H new ATOM 0 HD21 LEU A 40 21.217 15.808 24.449 1.00 0.00 H new ATOM 0 HD22 LEU A 40 20.963 16.252 22.744 1.00 0.00 H new ATOM 0 HD23 LEU A 40 22.615 16.114 23.391 1.00 0.00 H new ATOM 695 N LYS A 41 24.268 16.265 23.297 1.00 0.00 N ATOM 696 CA LYS A 41 24.882 15.287 24.236 1.00 0.00 C ATOM 697 C LYS A 41 26.401 15.415 24.135 1.00 0.00 C ATOM 698 O LYS A 41 27.119 15.222 25.096 1.00 0.00 O ATOM 699 CB LYS A 41 24.455 13.867 23.855 1.00 0.00 C ATOM 700 CG LYS A 41 25.098 12.860 24.814 1.00 0.00 C ATOM 701 CD LYS A 41 25.907 11.836 24.014 1.00 0.00 C ATOM 702 CE LYS A 41 27.361 11.847 24.490 1.00 0.00 C ATOM 703 NZ LYS A 41 28.244 11.360 23.393 1.00 0.00 N ATOM 0 H LYS A 41 23.915 15.868 22.426 1.00 0.00 H new ATOM 0 HA LYS A 41 24.555 15.488 25.256 1.00 0.00 H new ATOM 0 HB2 LYS A 41 23.369 13.780 23.895 1.00 0.00 H new ATOM 0 HB3 LYS A 41 24.754 13.650 22.830 1.00 0.00 H new ATOM 0 HG2 LYS A 41 25.746 13.378 25.521 1.00 0.00 H new ATOM 0 HG3 LYS A 41 24.328 12.355 25.397 1.00 0.00 H new ATOM 0 HD2 LYS A 41 25.480 10.841 24.140 1.00 0.00 H new ATOM 0 HD3 LYS A 41 25.860 12.071 22.951 1.00 0.00 H new ATOM 0 HE2 LYS A 41 27.651 12.855 24.785 1.00 0.00 H new ATOM 0 HE3 LYS A 41 27.472 11.213 25.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 29.233 11.367 23.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 27.971 10.391 23.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 28.145 11.982 22.565 1.00 0.00 H new ATOM 717 N THR A 42 26.891 15.759 22.975 1.00 0.00 N ATOM 718 CA THR A 42 28.360 15.922 22.806 1.00 0.00 C ATOM 719 C THR A 42 28.768 17.295 23.341 1.00 0.00 C ATOM 720 O THR A 42 29.812 17.453 23.941 1.00 0.00 O ATOM 721 CB THR A 42 28.723 15.821 21.323 1.00 0.00 C ATOM 722 OG1 THR A 42 27.838 16.635 20.563 1.00 0.00 O ATOM 723 CG2 THR A 42 28.602 14.367 20.866 1.00 0.00 C ATOM 0 H THR A 42 26.336 15.934 22.137 1.00 0.00 H new ATOM 0 HA THR A 42 28.884 15.139 23.354 1.00 0.00 H new ATOM 0 HB THR A 42 29.747 16.162 21.175 1.00 0.00 H new ATOM 0 HG1 THR A 42 27.228 16.065 20.051 1.00 0.00 H new ATOM 0 HG21 THR A 42 28.861 14.295 19.810 1.00 0.00 H new ATOM 0 HG22 THR A 42 29.281 13.745 21.449 1.00 0.00 H new ATOM 0 HG23 THR A 42 27.578 14.023 21.013 1.00 0.00 H new ATOM 731 N LEU A 43 27.945 18.287 23.140 1.00 0.00 N ATOM 732 CA LEU A 43 28.283 19.644 23.650 1.00 0.00 C ATOM 733 C LEU A 43 28.274 19.607 25.177 1.00 0.00 C ATOM 734 O LEU A 43 29.122 20.181 25.829 1.00 0.00 O ATOM 735 CB LEU A 43 27.257 20.660 23.146 1.00 0.00 C ATOM 736 CG LEU A 43 27.972 21.971 22.814 1.00 0.00 C ATOM 737 CD1 LEU A 43 28.513 21.910 21.384 1.00 0.00 C ATOM 738 CD2 LEU A 43 26.991 23.136 22.939 1.00 0.00 C ATOM 0 H LEU A 43 27.055 18.216 22.646 1.00 0.00 H new ATOM 0 HA LEU A 43 29.269 19.940 23.293 1.00 0.00 H new ATOM 0 HB2 LEU A 43 26.749 20.274 22.262 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.493 20.830 23.904 1.00 0.00 H new ATOM 0 HG LEU A 43 28.799 22.118 23.509 1.00 0.00 H new ATOM 0 HD11 LEU A 43 29.022 22.844 21.148 1.00 0.00 H new ATOM 0 HD12 LEU A 43 29.215 21.081 21.296 1.00 0.00 H new ATOM 0 HD13 LEU A 43 27.687 21.761 20.689 1.00 0.00 H new ATOM 0 HD21 LEU A 43 27.502 24.069 22.702 1.00 0.00 H new ATOM 0 HD22 LEU A 43 26.163 22.990 22.246 1.00 0.00 H new ATOM 0 HD23 LEU A 43 26.608 23.181 23.958 1.00 0.00 H new ATOM 750 N ALA A 44 27.331 18.914 25.753 1.00 0.00 N ATOM 751 CA ALA A 44 27.283 18.816 27.238 1.00 0.00 C ATOM 752 C ALA A 44 28.063 17.572 27.665 1.00 0.00 C ATOM 753 O ALA A 44 27.914 17.074 28.764 1.00 0.00 O ATOM 754 CB ALA A 44 25.830 18.697 27.699 1.00 0.00 C ATOM 0 H ALA A 44 26.593 18.412 25.260 1.00 0.00 H new ATOM 0 HA ALA A 44 27.723 19.706 27.687 1.00 0.00 H new ATOM 0 HB1 ALA A 44 25.798 18.625 28.786 1.00 0.00 H new ATOM 0 HB2 ALA A 44 25.273 19.577 27.377 1.00 0.00 H new ATOM 0 HB3 ALA A 44 25.382 17.804 27.263 1.00 0.00 H new ATOM 760 N SER A 45 28.888 17.064 26.788 1.00 0.00 N ATOM 761 CA SER A 45 29.683 15.845 27.105 1.00 0.00 C ATOM 762 C SER A 45 30.910 16.167 27.981 1.00 0.00 C ATOM 763 O SER A 45 31.232 15.392 28.857 1.00 0.00 O ATOM 764 CB SER A 45 30.153 15.199 25.802 1.00 0.00 C ATOM 765 OG SER A 45 31.081 14.164 26.100 1.00 0.00 O ATOM 0 H SER A 45 29.045 17.447 25.856 1.00 0.00 H new ATOM 0 HA SER A 45 29.042 15.164 27.665 1.00 0.00 H new ATOM 0 HB2 SER A 45 29.301 14.794 25.256 1.00 0.00 H new ATOM 0 HB3 SER A 45 30.618 15.946 25.159 1.00 0.00 H new ATOM 0 HG SER A 45 31.384 13.746 25.267 1.00 0.00 H new ATOM 771 N PRO A 46 31.578 17.274 27.732 1.00 0.00 N ATOM 772 CA PRO A 46 32.779 17.639 28.511 1.00 0.00 C ATOM 773 C PRO A 46 32.400 18.103 29.923 1.00 0.00 C ATOM 774 O PRO A 46 32.415 19.276 30.225 1.00 0.00 O ATOM 775 CB PRO A 46 33.418 18.763 27.692 1.00 0.00 C ATOM 776 CG PRO A 46 32.297 19.349 26.804 1.00 0.00 C ATOM 777 CD PRO A 46 31.215 18.259 26.688 1.00 0.00 C ATOM 0 HA PRO A 46 33.460 16.802 28.661 1.00 0.00 H new ATOM 0 HB2 PRO A 46 33.837 19.529 28.345 1.00 0.00 H new ATOM 0 HB3 PRO A 46 34.237 18.382 27.082 1.00 0.00 H new ATOM 0 HG2 PRO A 46 31.887 20.257 27.246 1.00 0.00 H new ATOM 0 HG3 PRO A 46 32.682 19.619 25.821 1.00 0.00 H new ATOM 0 HD2 PRO A 46 30.218 18.668 26.855 1.00 0.00 H new ATOM 0 HD3 PRO A 46 31.211 17.806 25.697 1.00 0.00 H new ATOM 1507 N GLU B 17 -0.578 -3.897 10.921 1.00 0.00 N ATOM 1508 CA GLU B 17 0.416 -4.048 12.022 1.00 0.00 C ATOM 1509 C GLU B 17 1.799 -3.604 11.542 1.00 0.00 C ATOM 1510 O GLU B 17 2.593 -3.095 12.306 1.00 0.00 O ATOM 1511 CB GLU B 17 0.475 -5.516 12.453 1.00 0.00 C ATOM 1512 CG GLU B 17 0.809 -5.598 13.944 1.00 0.00 C ATOM 1513 CD GLU B 17 0.477 -6.998 14.462 1.00 0.00 C ATOM 1514 OE1 GLU B 17 1.233 -7.910 14.172 1.00 0.00 O ATOM 1515 OE2 GLU B 17 -0.528 -7.134 15.140 1.00 0.00 O ATOM 0 HA GLU B 17 0.114 -3.427 12.865 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -0.480 -6.002 12.256 1.00 0.00 H new ATOM 0 HB3 GLU B 17 1.229 -6.047 11.871 1.00 0.00 H new ATOM 0 HG2 GLU B 17 1.865 -5.380 14.104 1.00 0.00 H new ATOM 0 HG3 GLU B 17 0.241 -4.849 14.497 1.00 0.00 H new ATOM 1522 N ILE B 18 2.101 -3.795 10.287 1.00 0.00 N ATOM 1523 CA ILE B 18 3.439 -3.381 9.777 1.00 0.00 C ATOM 1524 C ILE B 18 3.532 -1.854 9.765 1.00 0.00 C ATOM 1525 O ILE B 18 4.599 -1.287 9.885 1.00 0.00 O ATOM 1526 CB ILE B 18 3.632 -3.918 8.359 1.00 0.00 C ATOM 1527 CG1 ILE B 18 3.837 -5.434 8.414 1.00 0.00 C ATOM 1528 CG2 ILE B 18 4.860 -3.260 7.727 1.00 0.00 C ATOM 1529 CD1 ILE B 18 4.205 -5.951 7.022 1.00 0.00 C ATOM 0 H ILE B 18 1.482 -4.218 9.595 1.00 0.00 H new ATOM 0 HA ILE B 18 4.216 -3.785 10.426 1.00 0.00 H new ATOM 0 HB ILE B 18 2.750 -3.691 7.760 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.626 -5.679 9.125 1.00 0.00 H new ATOM 0 HG13 ILE B 18 2.928 -5.922 8.766 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.998 -3.643 6.716 1.00 0.00 H new ATOM 0 HG22 ILE B 18 4.716 -2.180 7.690 1.00 0.00 H new ATOM 0 HG23 ILE B 18 5.743 -3.488 8.325 1.00 0.00 H new ATOM 0 HD11 ILE B 18 4.351 -7.030 7.062 1.00 0.00 H new ATOM 0 HD12 ILE B 18 3.401 -5.719 6.323 1.00 0.00 H new ATOM 0 HD13 ILE B 18 5.126 -5.473 6.688 1.00 0.00 H new ATOM 1541 N LEU B 19 2.421 -1.185 9.619 1.00 0.00 N ATOM 1542 CA LEU B 19 2.443 0.304 9.598 1.00 0.00 C ATOM 1543 C LEU B 19 2.355 0.839 11.030 1.00 0.00 C ATOM 1544 O LEU B 19 3.005 1.800 11.386 1.00 0.00 O ATOM 1545 CB LEU B 19 1.250 0.812 8.786 1.00 0.00 C ATOM 1546 CG LEU B 19 1.630 0.872 7.306 1.00 0.00 C ATOM 1547 CD1 LEU B 19 2.848 1.782 7.128 1.00 0.00 C ATOM 1548 CD2 LEU B 19 1.971 -0.536 6.812 1.00 0.00 C ATOM 0 H LEU B 19 1.498 -1.606 9.513 1.00 0.00 H new ATOM 0 HA LEU B 19 3.371 0.651 9.142 1.00 0.00 H new ATOM 0 HB2 LEU B 19 0.394 0.152 8.926 1.00 0.00 H new ATOM 0 HB3 LEU B 19 0.952 1.800 9.136 1.00 0.00 H new ATOM 0 HG LEU B 19 0.793 1.268 6.731 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.119 1.825 6.073 1.00 0.00 H new ATOM 0 HD12 LEU B 19 2.608 2.785 7.482 1.00 0.00 H new ATOM 0 HD13 LEU B 19 3.685 1.385 7.702 1.00 0.00 H new ATOM 0 HD21 LEU B 19 2.242 -0.496 5.757 1.00 0.00 H new ATOM 0 HD22 LEU B 19 2.809 -0.930 7.387 1.00 0.00 H new ATOM 0 HD23 LEU B 19 1.105 -1.186 6.939 1.00 0.00 H new ATOM 1560 N LYS B 20 1.555 0.219 11.853 1.00 0.00 N ATOM 1561 CA LYS B 20 1.422 0.683 13.262 1.00 0.00 C ATOM 1562 C LYS B 20 2.665 0.271 14.047 1.00 0.00 C ATOM 1563 O LYS B 20 2.988 0.848 15.065 1.00 0.00 O ATOM 1564 CB LYS B 20 0.184 0.041 13.893 1.00 0.00 C ATOM 1565 CG LYS B 20 -0.389 0.976 14.958 1.00 0.00 C ATOM 1566 CD LYS B 20 -1.005 0.147 16.088 1.00 0.00 C ATOM 1567 CE LYS B 20 -0.447 0.620 17.432 1.00 0.00 C ATOM 1568 NZ LYS B 20 -0.055 -0.562 18.250 1.00 0.00 N ATOM 0 H LYS B 20 0.986 -0.592 11.609 1.00 0.00 H new ATOM 0 HA LYS B 20 1.319 1.768 13.283 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -0.566 -0.158 13.127 1.00 0.00 H new ATOM 0 HB3 LYS B 20 0.446 -0.918 14.339 1.00 0.00 H new ATOM 0 HG2 LYS B 20 0.397 1.620 15.352 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -1.144 1.627 14.517 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -2.090 0.248 16.077 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -0.782 -0.910 15.941 1.00 0.00 H new ATOM 0 HE2 LYS B 20 0.415 1.267 17.272 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -1.195 1.210 17.961 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 0.324 -0.241 19.164 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -0.888 -1.163 18.413 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 0.673 -1.108 17.745 1.00 0.00 H new ATOM 1582 N GLU B 21 3.371 -0.717 13.573 1.00 0.00 N ATOM 1583 CA GLU B 21 4.600 -1.165 14.281 1.00 0.00 C ATOM 1584 C GLU B 21 5.748 -0.231 13.909 1.00 0.00 C ATOM 1585 O GLU B 21 6.595 0.083 14.718 1.00 0.00 O ATOM 1586 CB GLU B 21 4.944 -2.595 13.860 1.00 0.00 C ATOM 1587 CG GLU B 21 4.251 -3.585 14.797 1.00 0.00 C ATOM 1588 CD GLU B 21 4.698 -3.328 16.237 1.00 0.00 C ATOM 1589 OE1 GLU B 21 5.895 -3.318 16.473 1.00 0.00 O ATOM 1590 OE2 GLU B 21 3.836 -3.147 17.080 1.00 0.00 O ATOM 0 H GLU B 21 3.148 -1.235 12.723 1.00 0.00 H new ATOM 0 HA GLU B 21 4.437 -1.142 15.358 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.627 -2.769 12.832 1.00 0.00 H new ATOM 0 HB3 GLU B 21 6.023 -2.744 13.890 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.169 -3.480 14.717 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.494 -4.607 14.507 1.00 0.00 H new ATOM 1597 N GLN B 22 5.776 0.225 12.687 1.00 0.00 N ATOM 1598 CA GLN B 22 6.859 1.153 12.268 1.00 0.00 C ATOM 1599 C GLN B 22 6.542 2.548 12.805 1.00 0.00 C ATOM 1600 O GLN B 22 7.425 3.320 13.115 1.00 0.00 O ATOM 1601 CB GLN B 22 6.940 1.197 10.741 1.00 0.00 C ATOM 1602 CG GLN B 22 7.770 0.015 10.240 1.00 0.00 C ATOM 1603 CD GLN B 22 7.685 -0.056 8.715 1.00 0.00 C ATOM 1604 OE1 GLN B 22 8.691 -0.152 8.042 1.00 0.00 O ATOM 1605 NE2 GLN B 22 6.515 -0.008 8.139 1.00 0.00 N ATOM 0 H GLN B 22 5.096 -0.006 11.963 1.00 0.00 H new ATOM 0 HA GLN B 22 7.815 0.809 12.663 1.00 0.00 H new ATOM 0 HB2 GLN B 22 5.939 1.160 10.312 1.00 0.00 H new ATOM 0 HB3 GLN B 22 7.391 2.135 10.417 1.00 0.00 H new ATOM 0 HG2 GLN B 22 8.808 0.127 10.552 1.00 0.00 H new ATOM 0 HG3 GLN B 22 7.404 -0.913 10.679 1.00 0.00 H new ATOM 0 HE21 GLN B 22 5.671 0.073 8.705 1.00 0.00 H new ATOM 0 HE22 GLN B 22 6.445 -0.051 7.122 1.00 0.00 H new ATOM 1614 N ILE B 23 5.283 2.868 12.926 1.00 0.00 N ATOM 1615 CA ILE B 23 4.900 4.206 13.453 1.00 0.00 C ATOM 1616 C ILE B 23 5.042 4.197 14.977 1.00 0.00 C ATOM 1617 O ILE B 23 5.424 5.178 15.579 1.00 0.00 O ATOM 1618 CB ILE B 23 3.450 4.512 13.060 1.00 0.00 C ATOM 1619 CG1 ILE B 23 3.178 6.008 13.231 1.00 0.00 C ATOM 1620 CG2 ILE B 23 2.489 3.716 13.946 1.00 0.00 C ATOM 1621 CD1 ILE B 23 3.413 6.726 11.900 1.00 0.00 C ATOM 0 H ILE B 23 4.502 2.259 12.682 1.00 0.00 H new ATOM 0 HA ILE B 23 5.549 4.975 13.033 1.00 0.00 H new ATOM 0 HB ILE B 23 3.296 4.228 12.019 1.00 0.00 H new ATOM 0 HG12 ILE B 23 2.153 6.166 13.565 1.00 0.00 H new ATOM 0 HG13 ILE B 23 3.831 6.422 14.000 1.00 0.00 H new ATOM 0 HG21 ILE B 23 1.461 3.939 13.660 1.00 0.00 H new ATOM 0 HG22 ILE B 23 2.677 2.650 13.821 1.00 0.00 H new ATOM 0 HG23 ILE B 23 2.643 3.991 14.989 1.00 0.00 H new ATOM 0 HD11 ILE B 23 3.219 7.792 12.022 1.00 0.00 H new ATOM 0 HD12 ILE B 23 4.446 6.579 11.585 1.00 0.00 H new ATOM 0 HD13 ILE B 23 2.741 6.319 11.144 1.00 0.00 H new ATOM 1633 N ARG B 24 4.751 3.088 15.602 1.00 0.00 N ATOM 1634 CA ARG B 24 4.886 3.012 17.083 1.00 0.00 C ATOM 1635 C ARG B 24 6.366 2.845 17.427 1.00 0.00 C ATOM 1636 O ARG B 24 6.836 3.312 18.444 1.00 0.00 O ATOM 1637 CB ARG B 24 4.093 1.816 17.617 1.00 0.00 C ATOM 1638 CG ARG B 24 4.722 0.516 17.115 1.00 0.00 C ATOM 1639 CD ARG B 24 5.632 -0.067 18.199 1.00 0.00 C ATOM 1640 NE ARG B 24 4.893 -1.112 18.960 1.00 0.00 N ATOM 1641 CZ ARG B 24 4.342 -0.817 20.107 1.00 0.00 C ATOM 1642 NH1 ARG B 24 5.042 -0.894 21.205 1.00 0.00 N ATOM 1643 NH2 ARG B 24 3.092 -0.446 20.155 1.00 0.00 N ATOM 0 H ARG B 24 4.426 2.233 15.151 1.00 0.00 H new ATOM 0 HA ARG B 24 4.496 3.922 17.539 1.00 0.00 H new ATOM 0 HB2 ARG B 24 4.085 1.830 18.707 1.00 0.00 H new ATOM 0 HB3 ARG B 24 3.055 1.880 17.289 1.00 0.00 H new ATOM 0 HG2 ARG B 24 3.943 -0.201 16.856 1.00 0.00 H new ATOM 0 HG3 ARG B 24 5.295 0.705 16.207 1.00 0.00 H new ATOM 0 HD2 ARG B 24 6.526 -0.496 17.746 1.00 0.00 H new ATOM 0 HD3 ARG B 24 5.964 0.722 18.873 1.00 0.00 H new ATOM 0 HE ARG B 24 4.817 -2.058 18.586 1.00 0.00 H new ATOM 0 HH11 ARG B 24 6.019 -1.184 21.168 1.00 0.00 H new ATOM 0 HH12 ARG B 24 4.612 -0.664 22.101 1.00 0.00 H new ATOM 0 HH21 ARG B 24 2.544 -0.386 19.297 1.00 0.00 H new ATOM 0 HH22 ARG B 24 2.662 -0.216 21.051 1.00 0.00 H new ATOM 1657 N GLU B 25 7.105 2.198 16.572 1.00 0.00 N ATOM 1658 CA GLU B 25 8.559 2.019 16.830 1.00 0.00 C ATOM 1659 C GLU B 25 9.265 3.338 16.523 1.00 0.00 C ATOM 1660 O GLU B 25 10.235 3.699 17.158 1.00 0.00 O ATOM 1661 CB GLU B 25 9.110 0.913 15.927 1.00 0.00 C ATOM 1662 CG GLU B 25 10.623 0.801 16.121 1.00 0.00 C ATOM 1663 CD GLU B 25 11.247 0.142 14.889 1.00 0.00 C ATOM 1664 OE1 GLU B 25 10.737 -0.882 14.467 1.00 0.00 O ATOM 1665 OE2 GLU B 25 12.224 0.674 14.387 1.00 0.00 O ATOM 0 H GLU B 25 6.764 1.785 15.704 1.00 0.00 H new ATOM 0 HA GLU B 25 8.726 1.737 17.870 1.00 0.00 H new ATOM 0 HB2 GLU B 25 8.631 -0.037 16.164 1.00 0.00 H new ATOM 0 HB3 GLU B 25 8.882 1.133 14.884 1.00 0.00 H new ATOM 0 HG2 GLU B 25 11.055 1.790 16.276 1.00 0.00 H new ATOM 0 HG3 GLU B 25 10.844 0.214 17.012 1.00 0.00 H new ATOM 1672 N LEU B 26 8.771 4.069 15.560 1.00 0.00 N ATOM 1673 CA LEU B 26 9.398 5.374 15.217 1.00 0.00 C ATOM 1674 C LEU B 26 8.951 6.416 16.241 1.00 0.00 C ATOM 1675 O LEU B 26 9.668 7.346 16.548 1.00 0.00 O ATOM 1676 CB LEU B 26 8.958 5.806 13.816 1.00 0.00 C ATOM 1677 CG LEU B 26 9.831 5.107 12.772 1.00 0.00 C ATOM 1678 CD1 LEU B 26 9.249 5.339 11.377 1.00 0.00 C ATOM 1679 CD2 LEU B 26 11.252 5.675 12.833 1.00 0.00 C ATOM 0 H LEU B 26 7.959 3.817 14.996 1.00 0.00 H new ATOM 0 HA LEU B 26 10.484 5.279 15.233 1.00 0.00 H new ATOM 0 HB2 LEU B 26 7.910 5.553 13.658 1.00 0.00 H new ATOM 0 HB3 LEU B 26 9.044 6.888 13.713 1.00 0.00 H new ATOM 0 HG LEU B 26 9.857 4.037 12.980 1.00 0.00 H new ATOM 0 HD11 LEU B 26 9.873 4.840 10.635 1.00 0.00 H new ATOM 0 HD12 LEU B 26 8.238 4.934 11.333 1.00 0.00 H new ATOM 0 HD13 LEU B 26 9.221 6.408 11.168 1.00 0.00 H new ATOM 0 HD21 LEU B 26 11.875 5.178 12.090 1.00 0.00 H new ATOM 0 HD22 LEU B 26 11.225 6.745 12.627 1.00 0.00 H new ATOM 0 HD23 LEU B 26 11.669 5.507 13.826 1.00 0.00 H new ATOM 1691 N VAL B 27 7.777 6.255 16.789 1.00 0.00 N ATOM 1692 CA VAL B 27 7.296 7.223 17.810 1.00 0.00 C ATOM 1693 C VAL B 27 7.874 6.815 19.165 1.00 0.00 C ATOM 1694 O VAL B 27 8.009 7.619 20.063 1.00 0.00 O ATOM 1695 CB VAL B 27 5.763 7.215 17.862 1.00 0.00 C ATOM 1696 CG1 VAL B 27 5.270 5.980 18.617 1.00 0.00 C ATOM 1697 CG2 VAL B 27 5.272 8.476 18.578 1.00 0.00 C ATOM 0 H VAL B 27 7.132 5.495 16.573 1.00 0.00 H new ATOM 0 HA VAL B 27 7.621 8.232 17.555 1.00 0.00 H new ATOM 0 HB VAL B 27 5.372 7.192 16.845 1.00 0.00 H new ATOM 0 HG11 VAL B 27 4.180 5.984 18.648 1.00 0.00 H new ATOM 0 HG12 VAL B 27 5.615 5.080 18.108 1.00 0.00 H new ATOM 0 HG13 VAL B 27 5.662 5.995 19.634 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.183 8.472 18.616 1.00 0.00 H new ATOM 0 HG22 VAL B 27 5.670 8.497 19.592 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.613 9.358 18.036 1.00 0.00 H new ATOM 1707 N GLU B 28 8.242 5.568 19.304 1.00 0.00 N ATOM 1708 CA GLU B 28 8.841 5.108 20.584 1.00 0.00 C ATOM 1709 C GLU B 28 10.303 5.545 20.598 1.00 0.00 C ATOM 1710 O GLU B 28 10.823 5.991 21.600 1.00 0.00 O ATOM 1711 CB GLU B 28 8.754 3.583 20.687 1.00 0.00 C ATOM 1712 CG GLU B 28 8.932 3.163 22.148 1.00 0.00 C ATOM 1713 CD GLU B 28 8.661 1.664 22.289 1.00 0.00 C ATOM 1714 OE1 GLU B 28 9.370 0.894 21.664 1.00 0.00 O ATOM 1715 OE2 GLU B 28 7.749 1.314 23.019 1.00 0.00 O ATOM 0 H GLU B 28 8.152 4.851 18.584 1.00 0.00 H new ATOM 0 HA GLU B 28 8.304 5.539 21.429 1.00 0.00 H new ATOM 0 HB2 GLU B 28 7.791 3.236 20.312 1.00 0.00 H new ATOM 0 HB3 GLU B 28 9.523 3.121 20.068 1.00 0.00 H new ATOM 0 HG2 GLU B 28 9.944 3.393 22.482 1.00 0.00 H new ATOM 0 HG3 GLU B 28 8.250 3.727 22.785 1.00 0.00 H new ATOM 1722 N LYS B 29 10.966 5.441 19.477 1.00 0.00 N ATOM 1723 CA LYS B 29 12.386 5.874 19.412 1.00 0.00 C ATOM 1724 C LYS B 29 12.420 7.401 19.411 1.00 0.00 C ATOM 1725 O LYS B 29 13.283 8.014 20.005 1.00 0.00 O ATOM 1726 CB LYS B 29 13.035 5.339 18.134 1.00 0.00 C ATOM 1727 CG LYS B 29 13.892 4.117 18.471 1.00 0.00 C ATOM 1728 CD LYS B 29 14.466 3.522 17.183 1.00 0.00 C ATOM 1729 CE LYS B 29 15.950 3.203 17.380 1.00 0.00 C ATOM 1730 NZ LYS B 29 16.755 4.442 17.185 1.00 0.00 N ATOM 0 H LYS B 29 10.583 5.075 18.606 1.00 0.00 H new ATOM 0 HA LYS B 29 12.937 5.486 20.269 1.00 0.00 H new ATOM 0 HB2 LYS B 29 12.267 5.069 17.409 1.00 0.00 H new ATOM 0 HB3 LYS B 29 13.650 6.113 17.674 1.00 0.00 H new ATOM 0 HG2 LYS B 29 14.701 4.402 19.144 1.00 0.00 H new ATOM 0 HG3 LYS B 29 13.291 3.371 18.992 1.00 0.00 H new ATOM 0 HD2 LYS B 29 13.922 2.616 16.915 1.00 0.00 H new ATOM 0 HD3 LYS B 29 14.341 4.225 16.359 1.00 0.00 H new ATOM 0 HE2 LYS B 29 16.117 2.802 18.380 1.00 0.00 H new ATOM 0 HE3 LYS B 29 16.265 2.437 16.672 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 17.763 4.225 17.319 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 16.604 4.806 16.223 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 16.460 5.160 17.877 1.00 0.00 H new ATOM 1744 N ASN B 30 11.468 8.020 18.766 1.00 0.00 N ATOM 1745 CA ASN B 30 11.428 9.507 18.747 1.00 0.00 C ATOM 1746 C ASN B 30 11.079 9.988 20.154 1.00 0.00 C ATOM 1747 O ASN B 30 11.584 10.985 20.627 1.00 0.00 O ATOM 1748 CB ASN B 30 10.361 9.982 17.758 1.00 0.00 C ATOM 1749 CG ASN B 30 10.686 11.406 17.302 1.00 0.00 C ATOM 1750 OD1 ASN B 30 9.752 12.317 17.335 1.00 0.00 O flip ATOM 1751 ND2 ASN B 30 11.800 11.691 16.908 1.00 0.00 N flip ATOM 0 H ASN B 30 10.717 7.559 18.252 1.00 0.00 H new ATOM 0 HA ASN B 30 12.393 9.909 18.438 1.00 0.00 H new ATOM 0 HB2 ASN B 30 10.323 9.313 16.898 1.00 0.00 H new ATOM 0 HB3 ASN B 30 9.377 9.954 18.227 1.00 0.00 H new ATOM 0 HD21 ASN B 30 12.530 10.979 16.882 1.00 0.00 H new ATOM 0 HD22 ASN B 30 12.005 12.642 16.603 1.00 0.00 H new ATOM 1758 N SER B 31 10.234 9.262 20.833 1.00 0.00 N ATOM 1759 CA SER B 31 9.862 9.646 22.221 1.00 0.00 C ATOM 1760 C SER B 31 11.082 9.440 23.115 1.00 0.00 C ATOM 1761 O SER B 31 11.323 10.191 24.037 1.00 0.00 O ATOM 1762 CB SER B 31 8.707 8.767 22.706 1.00 0.00 C ATOM 1763 OG SER B 31 9.167 7.432 22.870 1.00 0.00 O ATOM 0 H SER B 31 9.784 8.416 20.483 1.00 0.00 H new ATOM 0 HA SER B 31 9.545 10.688 22.254 1.00 0.00 H new ATOM 0 HB2 SER B 31 8.317 9.148 23.650 1.00 0.00 H new ATOM 0 HB3 SER B 31 7.887 8.795 21.988 1.00 0.00 H new ATOM 0 HG SER B 31 9.820 7.223 22.170 1.00 0.00 H new ATOM 1769 N GLN B 32 11.866 8.435 22.833 1.00 0.00 N ATOM 1770 CA GLN B 32 13.087 8.190 23.648 1.00 0.00 C ATOM 1771 C GLN B 32 14.109 9.278 23.321 1.00 0.00 C ATOM 1772 O GLN B 32 14.917 9.659 24.143 1.00 0.00 O ATOM 1773 CB GLN B 32 13.666 6.817 23.299 1.00 0.00 C ATOM 1774 CG GLN B 32 14.101 6.104 24.579 1.00 0.00 C ATOM 1775 CD GLN B 32 15.621 6.189 24.718 1.00 0.00 C ATOM 1776 OE1 GLN B 32 16.337 6.159 23.737 1.00 0.00 O ATOM 1777 NE2 GLN B 32 16.150 6.296 25.908 1.00 0.00 N ATOM 0 H GLN B 32 11.712 7.773 22.072 1.00 0.00 H new ATOM 0 HA GLN B 32 12.844 8.212 24.710 1.00 0.00 H new ATOM 0 HB2 GLN B 32 12.921 6.220 22.773 1.00 0.00 H new ATOM 0 HB3 GLN B 32 14.516 6.930 22.627 1.00 0.00 H new ATOM 0 HG2 GLN B 32 13.620 6.561 25.444 1.00 0.00 H new ATOM 0 HG3 GLN B 32 13.785 5.061 24.552 1.00 0.00 H new ATOM 0 HE21 GLN B 32 15.550 6.321 26.732 1.00 0.00 H new ATOM 0 HE22 GLN B 32 17.163 6.354 26.012 1.00 0.00 H new ATOM 1786 N LEU B 33 14.061 9.790 22.120 1.00 0.00 N ATOM 1787 CA LEU B 33 15.010 10.866 21.725 1.00 0.00 C ATOM 1788 C LEU B 33 14.463 12.206 22.215 1.00 0.00 C ATOM 1789 O LEU B 33 15.187 13.168 22.359 1.00 0.00 O ATOM 1790 CB LEU B 33 15.144 10.893 20.201 1.00 0.00 C ATOM 1791 CG LEU B 33 16.537 10.400 19.797 1.00 0.00 C ATOM 1792 CD1 LEU B 33 17.589 11.407 20.262 1.00 0.00 C ATOM 1793 CD2 LEU B 33 16.810 9.042 20.448 1.00 0.00 C ATOM 0 H LEU B 33 13.402 9.507 21.395 1.00 0.00 H new ATOM 0 HA LEU B 33 15.989 10.681 22.167 1.00 0.00 H new ATOM 0 HB2 LEU B 33 14.379 10.263 19.748 1.00 0.00 H new ATOM 0 HB3 LEU B 33 14.984 11.905 19.830 1.00 0.00 H new ATOM 0 HG LEU B 33 16.584 10.298 18.713 1.00 0.00 H new ATOM 0 HD11 LEU B 33 18.580 11.056 19.975 1.00 0.00 H new ATOM 0 HD12 LEU B 33 17.397 12.374 19.797 1.00 0.00 H new ATOM 0 HD13 LEU B 33 17.541 11.509 21.346 1.00 0.00 H new ATOM 0 HD21 LEU B 33 17.801 8.693 20.159 1.00 0.00 H new ATOM 0 HD22 LEU B 33 16.762 9.142 21.532 1.00 0.00 H new ATOM 0 HD23 LEU B 33 16.061 8.323 20.117 1.00 0.00 H new ATOM 1805 N GLU B 34 13.186 12.269 22.481 1.00 0.00 N ATOM 1806 CA GLU B 34 12.587 13.540 22.973 1.00 0.00 C ATOM 1807 C GLU B 34 12.780 13.623 24.487 1.00 0.00 C ATOM 1808 O GLU B 34 12.976 14.684 25.041 1.00 0.00 O ATOM 1809 CB GLU B 34 11.094 13.567 22.638 1.00 0.00 C ATOM 1810 CG GLU B 34 10.746 14.900 21.974 1.00 0.00 C ATOM 1811 CD GLU B 34 9.642 15.596 22.773 1.00 0.00 C ATOM 1812 OE1 GLU B 34 9.919 16.014 23.885 1.00 0.00 O ATOM 1813 OE2 GLU B 34 8.540 15.697 22.261 1.00 0.00 O ATOM 0 H GLU B 34 12.532 11.493 22.378 1.00 0.00 H new ATOM 0 HA GLU B 34 13.073 14.390 22.494 1.00 0.00 H new ATOM 0 HB2 GLU B 34 10.844 12.741 21.972 1.00 0.00 H new ATOM 0 HB3 GLU B 34 10.504 13.435 23.545 1.00 0.00 H new ATOM 0 HG2 GLU B 34 11.630 15.536 21.925 1.00 0.00 H new ATOM 0 HG3 GLU B 34 10.417 14.733 20.948 1.00 0.00 H new ATOM 1820 N ARG B 35 12.744 12.505 25.156 1.00 0.00 N ATOM 1821 CA ARG B 35 12.942 12.512 26.631 1.00 0.00 C ATOM 1822 C ARG B 35 14.435 12.646 26.918 1.00 0.00 C ATOM 1823 O ARG B 35 14.841 13.206 27.916 1.00 0.00 O ATOM 1824 CB ARG B 35 12.420 11.201 27.227 1.00 0.00 C ATOM 1825 CG ARG B 35 10.911 11.099 26.993 1.00 0.00 C ATOM 1826 CD ARG B 35 10.176 11.983 28.003 1.00 0.00 C ATOM 1827 NE ARG B 35 10.549 11.576 29.387 1.00 0.00 N ATOM 1828 CZ ARG B 35 9.738 10.833 30.090 1.00 0.00 C ATOM 1829 NH1 ARG B 35 9.351 9.674 29.630 1.00 0.00 N ATOM 1830 NH2 ARG B 35 9.310 11.250 31.250 1.00 0.00 N ATOM 0 H ARG B 35 12.586 11.585 24.744 1.00 0.00 H new ATOM 0 HA ARG B 35 12.398 13.345 27.077 1.00 0.00 H new ATOM 0 HB2 ARG B 35 12.928 10.353 26.768 1.00 0.00 H new ATOM 0 HB3 ARG B 35 12.637 11.163 28.295 1.00 0.00 H new ATOM 0 HG2 ARG B 35 10.668 11.410 25.977 1.00 0.00 H new ATOM 0 HG3 ARG B 35 10.586 10.064 27.096 1.00 0.00 H new ATOM 0 HD2 ARG B 35 10.432 13.030 27.839 1.00 0.00 H new ATOM 0 HD3 ARG B 35 9.099 11.893 27.864 1.00 0.00 H new ATOM 0 HE ARG B 35 11.438 11.878 29.785 1.00 0.00 H new ATOM 0 HH11 ARG B 35 9.682 9.349 28.722 1.00 0.00 H new ATOM 0 HH12 ARG B 35 8.717 9.093 30.179 1.00 0.00 H new ATOM 0 HH21 ARG B 35 9.609 12.157 31.608 1.00 0.00 H new ATOM 0 HH22 ARG B 35 8.676 10.669 31.799 1.00 0.00 H new ATOM 1844 N GLU B 36 15.258 12.142 26.039 1.00 0.00 N ATOM 1845 CA GLU B 36 16.729 12.244 26.246 1.00 0.00 C ATOM 1846 C GLU B 36 17.219 13.580 25.687 1.00 0.00 C ATOM 1847 O GLU B 36 18.151 14.171 26.192 1.00 0.00 O ATOM 1848 CB GLU B 36 17.429 11.097 25.515 1.00 0.00 C ATOM 1849 CG GLU B 36 17.878 10.044 26.531 1.00 0.00 C ATOM 1850 CD GLU B 36 19.402 10.078 26.665 1.00 0.00 C ATOM 1851 OE1 GLU B 36 20.010 10.964 26.087 1.00 0.00 O ATOM 1852 OE2 GLU B 36 19.936 9.215 27.342 1.00 0.00 O ATOM 0 H GLU B 36 14.973 11.663 25.185 1.00 0.00 H new ATOM 0 HA GLU B 36 16.956 12.184 27.310 1.00 0.00 H new ATOM 0 HB2 GLU B 36 16.753 10.650 24.786 1.00 0.00 H new ATOM 0 HB3 GLU B 36 18.289 11.475 24.962 1.00 0.00 H new ATOM 0 HG2 GLU B 36 17.413 10.236 27.498 1.00 0.00 H new ATOM 0 HG3 GLU B 36 17.553 9.054 26.212 1.00 0.00 H new ATOM 1859 N ASN B 37 16.591 14.061 24.650 1.00 0.00 N ATOM 1860 CA ASN B 37 17.014 15.360 24.058 1.00 0.00 C ATOM 1861 C ASN B 37 16.580 16.496 24.984 1.00 0.00 C ATOM 1862 O ASN B 37 17.333 17.403 25.255 1.00 0.00 O ATOM 1863 CB ASN B 37 16.357 15.537 22.685 1.00 0.00 C ATOM 1864 CG ASN B 37 16.513 16.989 22.225 1.00 0.00 C ATOM 1865 OD1 ASN B 37 15.580 17.764 22.297 1.00 0.00 O ATOM 1866 ND2 ASN B 37 17.662 17.392 21.753 1.00 0.00 N ATOM 0 H ASN B 37 15.802 13.610 24.187 1.00 0.00 H new ATOM 0 HA ASN B 37 18.098 15.375 23.941 1.00 0.00 H new ATOM 0 HB2 ASN B 37 16.817 14.864 21.961 1.00 0.00 H new ATOM 0 HB3 ASN B 37 15.301 15.273 22.739 1.00 0.00 H new ATOM 0 HD21 ASN B 37 17.776 18.358 21.445 1.00 0.00 H new ATOM 0 HD22 ASN B 37 18.445 16.741 21.693 1.00 0.00 H new ATOM 1873 N THR B 38 15.374 16.447 25.477 1.00 0.00 N ATOM 1874 CA THR B 38 14.903 17.525 26.390 1.00 0.00 C ATOM 1875 C THR B 38 15.679 17.441 27.705 1.00 0.00 C ATOM 1876 O THR B 38 15.874 18.427 28.387 1.00 0.00 O ATOM 1877 CB THR B 38 13.406 17.349 26.661 1.00 0.00 C ATOM 1878 OG1 THR B 38 12.725 17.165 25.427 1.00 0.00 O ATOM 1879 CG2 THR B 38 12.862 18.591 27.370 1.00 0.00 C ATOM 0 H THR B 38 14.696 15.709 25.288 1.00 0.00 H new ATOM 0 HA THR B 38 15.070 18.498 25.929 1.00 0.00 H new ATOM 0 HB THR B 38 13.250 16.478 27.297 1.00 0.00 H new ATOM 0 HG1 THR B 38 12.592 16.207 25.266 1.00 0.00 H new ATOM 0 HG21 THR B 38 11.797 18.463 27.562 1.00 0.00 H new ATOM 0 HG22 THR B 38 13.387 18.729 28.315 1.00 0.00 H new ATOM 0 HG23 THR B 38 13.015 19.466 26.739 1.00 0.00 H new ATOM 1887 N LEU B 39 16.131 16.269 28.061 1.00 0.00 N ATOM 1888 CA LEU B 39 16.900 16.122 29.327 1.00 0.00 C ATOM 1889 C LEU B 39 18.296 16.719 29.149 1.00 0.00 C ATOM 1890 O LEU B 39 18.780 17.449 29.990 1.00 0.00 O ATOM 1891 CB LEU B 39 17.022 14.638 29.681 1.00 0.00 C ATOM 1892 CG LEU B 39 16.566 14.422 31.123 1.00 0.00 C ATOM 1893 CD1 LEU B 39 17.495 15.184 32.068 1.00 0.00 C ATOM 1894 CD2 LEU B 39 15.136 14.942 31.287 1.00 0.00 C ATOM 0 H LEU B 39 16.000 15.408 27.529 1.00 0.00 H new ATOM 0 HA LEU B 39 16.381 16.646 30.129 1.00 0.00 H new ATOM 0 HB2 LEU B 39 16.414 14.040 29.002 1.00 0.00 H new ATOM 0 HB3 LEU B 39 18.054 14.308 29.561 1.00 0.00 H new ATOM 0 HG LEU B 39 16.597 13.359 31.360 1.00 0.00 H new ATOM 0 HD11 LEU B 39 17.172 15.031 33.098 1.00 0.00 H new ATOM 0 HD12 LEU B 39 18.515 14.817 31.950 1.00 0.00 H new ATOM 0 HD13 LEU B 39 17.462 16.247 31.831 1.00 0.00 H new ATOM 0 HD21 LEU B 39 14.809 14.789 32.315 1.00 0.00 H new ATOM 0 HD22 LEU B 39 15.106 16.006 31.052 1.00 0.00 H new ATOM 0 HD23 LEU B 39 14.473 14.402 30.611 1.00 0.00 H new ATOM 1906 N LEU B 40 18.951 16.416 28.061 1.00 0.00 N ATOM 1907 CA LEU B 40 20.315 16.973 27.842 1.00 0.00 C ATOM 1908 C LEU B 40 20.202 18.417 27.350 1.00 0.00 C ATOM 1909 O LEU B 40 21.151 19.173 27.395 1.00 0.00 O ATOM 1910 CB LEU B 40 21.059 16.128 26.804 1.00 0.00 C ATOM 1911 CG LEU B 40 21.052 14.654 27.228 1.00 0.00 C ATOM 1912 CD1 LEU B 40 22.128 13.896 26.449 1.00 0.00 C ATOM 1913 CD2 LEU B 40 21.345 14.541 28.728 1.00 0.00 C ATOM 0 H LEU B 40 18.602 15.810 27.318 1.00 0.00 H new ATOM 0 HA LEU B 40 20.869 16.953 28.780 1.00 0.00 H new ATOM 0 HB2 LEU B 40 20.587 16.237 25.828 1.00 0.00 H new ATOM 0 HB3 LEU B 40 22.085 16.481 26.703 1.00 0.00 H new ATOM 0 HG LEU B 40 20.071 14.227 27.018 1.00 0.00 H new ATOM 0 HD11 LEU B 40 22.124 12.848 26.749 1.00 0.00 H new ATOM 0 HD12 LEU B 40 21.923 13.968 25.381 1.00 0.00 H new ATOM 0 HD13 LEU B 40 23.105 14.331 26.661 1.00 0.00 H new ATOM 0 HD21 LEU B 40 21.338 13.491 29.022 1.00 0.00 H new ATOM 0 HD22 LEU B 40 22.324 14.971 28.941 1.00 0.00 H new ATOM 0 HD23 LEU B 40 20.582 15.080 29.289 1.00 0.00 H new ATOM 1925 N LYS B 41 19.044 18.815 26.900 1.00 0.00 N ATOM 1926 CA LYS B 41 18.872 20.216 26.428 1.00 0.00 C ATOM 1927 C LYS B 41 18.570 21.094 27.638 1.00 0.00 C ATOM 1928 O LYS B 41 18.961 22.241 27.703 1.00 0.00 O ATOM 1929 CB LYS B 41 17.715 20.295 25.429 1.00 0.00 C ATOM 1930 CG LYS B 41 17.923 21.493 24.503 1.00 0.00 C ATOM 1931 CD LYS B 41 17.494 22.772 25.222 1.00 0.00 C ATOM 1932 CE LYS B 41 16.330 23.415 24.465 1.00 0.00 C ATOM 1933 NZ LYS B 41 15.055 22.748 24.855 1.00 0.00 N ATOM 0 H LYS B 41 18.210 18.230 26.839 1.00 0.00 H new ATOM 0 HA LYS B 41 19.781 20.556 25.932 1.00 0.00 H new ATOM 0 HB2 LYS B 41 17.661 19.376 24.846 1.00 0.00 H new ATOM 0 HB3 LYS B 41 16.768 20.392 25.960 1.00 0.00 H new ATOM 0 HG2 LYS B 41 18.970 21.562 24.209 1.00 0.00 H new ATOM 0 HG3 LYS B 41 17.343 21.365 23.589 1.00 0.00 H new ATOM 0 HD2 LYS B 41 17.195 22.544 26.245 1.00 0.00 H new ATOM 0 HD3 LYS B 41 18.332 23.467 25.282 1.00 0.00 H new ATOM 0 HE2 LYS B 41 16.280 24.480 24.691 1.00 0.00 H new ATOM 0 HE3 LYS B 41 16.487 23.324 23.390 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 14.263 23.185 24.341 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 15.106 21.737 24.618 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 14.905 22.857 25.878 1.00 0.00 H new ATOM 1947 N THR B 42 17.888 20.550 28.606 1.00 0.00 N ATOM 1948 CA THR B 42 17.571 21.336 29.826 1.00 0.00 C ATOM 1949 C THR B 42 18.789 21.326 30.748 1.00 0.00 C ATOM 1950 O THR B 42 19.088 22.299 31.409 1.00 0.00 O ATOM 1951 CB THR B 42 16.376 20.703 30.543 1.00 0.00 C ATOM 1952 OG1 THR B 42 15.380 20.362 29.587 1.00 0.00 O ATOM 1953 CG2 THR B 42 15.797 21.697 31.551 1.00 0.00 C ATOM 0 H THR B 42 17.536 19.593 28.603 1.00 0.00 H new ATOM 0 HA THR B 42 17.322 22.362 29.555 1.00 0.00 H new ATOM 0 HB THR B 42 16.701 19.805 31.068 1.00 0.00 H new ATOM 0 HG1 THR B 42 15.425 19.402 29.397 1.00 0.00 H new ATOM 0 HG21 THR B 42 14.946 21.245 32.061 1.00 0.00 H new ATOM 0 HG22 THR B 42 16.561 21.959 32.283 1.00 0.00 H new ATOM 0 HG23 THR B 42 15.471 22.596 31.029 1.00 0.00 H new ATOM 1961 N LEU B 43 19.504 20.234 30.791 1.00 0.00 N ATOM 1962 CA LEU B 43 20.707 20.171 31.667 1.00 0.00 C ATOM 1963 C LEU B 43 21.857 20.921 30.993 1.00 0.00 C ATOM 1964 O LEU B 43 22.588 21.653 31.630 1.00 0.00 O ATOM 1965 CB LEU B 43 21.100 18.713 31.900 1.00 0.00 C ATOM 1966 CG LEU B 43 20.220 18.122 33.001 1.00 0.00 C ATOM 1967 CD1 LEU B 43 20.532 16.635 33.166 1.00 0.00 C ATOM 1968 CD2 LEU B 43 20.500 18.854 34.316 1.00 0.00 C ATOM 0 H LEU B 43 19.307 19.386 30.259 1.00 0.00 H new ATOM 0 HA LEU B 43 20.486 20.634 32.629 1.00 0.00 H new ATOM 0 HB2 LEU B 43 20.983 18.141 30.979 1.00 0.00 H new ATOM 0 HB3 LEU B 43 22.150 18.649 32.184 1.00 0.00 H new ATOM 0 HG LEU B 43 19.170 18.240 32.732 1.00 0.00 H new ATOM 0 HD11 LEU B 43 19.903 16.216 33.952 1.00 0.00 H new ATOM 0 HD12 LEU B 43 20.335 16.116 32.228 1.00 0.00 H new ATOM 0 HD13 LEU B 43 21.581 16.511 33.436 1.00 0.00 H new ATOM 0 HD21 LEU B 43 19.875 18.436 35.105 1.00 0.00 H new ATOM 0 HD22 LEU B 43 21.550 18.734 34.583 1.00 0.00 H new ATOM 0 HD23 LEU B 43 20.275 19.914 34.197 1.00 0.00 H new ATOM 1980 N ALA B 44 22.014 20.762 29.708 1.00 0.00 N ATOM 1981 CA ALA B 44 23.104 21.489 28.998 1.00 0.00 C ATOM 1982 C ALA B 44 22.713 22.962 28.897 1.00 0.00 C ATOM 1983 O ALA B 44 23.537 23.849 28.999 1.00 0.00 O ATOM 1984 CB ALA B 44 23.285 20.904 27.595 1.00 0.00 C ATOM 0 H ALA B 44 21.436 20.162 29.120 1.00 0.00 H new ATOM 0 HA ALA B 44 24.042 21.387 29.544 1.00 0.00 H new ATOM 0 HB1 ALA B 44 24.083 21.438 27.078 1.00 0.00 H new ATOM 0 HB2 ALA B 44 23.545 19.848 27.672 1.00 0.00 H new ATOM 0 HB3 ALA B 44 22.356 21.009 27.034 1.00 0.00 H new ATOM 1990 N SER B 45 21.448 23.225 28.716 1.00 0.00 N ATOM 1991 CA SER B 45 20.973 24.631 28.626 1.00 0.00 C ATOM 1992 C SER B 45 19.681 24.761 29.438 1.00 0.00 C ATOM 1993 O SER B 45 18.600 24.568 28.916 1.00 0.00 O ATOM 1994 CB SER B 45 20.705 24.992 27.165 1.00 0.00 C ATOM 1995 OG SER B 45 21.866 25.598 26.613 1.00 0.00 O ATOM 0 H SER B 45 20.718 22.518 28.626 1.00 0.00 H new ATOM 0 HA SER B 45 21.731 25.308 29.021 1.00 0.00 H new ATOM 0 HB2 SER B 45 20.443 24.098 26.599 1.00 0.00 H new ATOM 0 HB3 SER B 45 19.857 25.673 27.096 1.00 0.00 H new ATOM 0 HG SER B 45 21.700 25.830 25.675 1.00 0.00 H new ATOM 2001 N PRO B 46 19.837 25.073 30.698 1.00 0.00 N ATOM 2002 CA PRO B 46 18.701 25.222 31.623 1.00 0.00 C ATOM 2003 C PRO B 46 17.963 26.535 31.362 1.00 0.00 C ATOM 2004 O PRO B 46 16.880 26.756 31.863 1.00 0.00 O ATOM 2005 CB PRO B 46 19.357 25.220 33.005 1.00 0.00 C ATOM 2006 CG PRO B 46 20.833 25.630 32.787 1.00 0.00 C ATOM 2007 CD PRO B 46 21.158 25.315 31.316 1.00 0.00 C ATOM 0 HA PRO B 46 17.955 24.435 31.514 1.00 0.00 H new ATOM 0 HB2 PRO B 46 18.855 25.918 33.675 1.00 0.00 H new ATOM 0 HB3 PRO B 46 19.291 24.234 33.465 1.00 0.00 H new ATOM 0 HG2 PRO B 46 20.977 26.690 32.998 1.00 0.00 H new ATOM 0 HG3 PRO B 46 21.492 25.079 33.457 1.00 0.00 H new ATOM 0 HD2 PRO B 46 21.677 26.145 30.836 1.00 0.00 H new ATOM 0 HD3 PRO B 46 21.805 24.442 31.229 1.00 0.00 H new