USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 497 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 19 HIS :FLIP no HE2:sc= 0.128 F(o=-1.1,f=0.25) USER MOD Set 1.2: A 22 GLN :FLIP amide:sc= 0.125 F(o=-1.2,f=0.25) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.126 F(o=-1.5,f=-0.13) USER MOD Single : A 29 THR OG1 : rot 73:sc= 0.798 USER MOD Single : A 33 SER OG : rot 83:sc= 0.00948 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.847 K(o=-0.85,f=-2.3!) USER MOD Single : A 42 LYS NZ :NH3+ -177:sc= 0.284 (180deg=0.277) USER MOD Single : A 44 CYS SG : rot 168:sc= -2.81! USER MOD Single : A 45 GLN : amide:sc= -0.369 K(o=-0.37,f=-3.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.367 X(o=-0.37,f=-0.32) USER MOD Single : A 53 GLN : amide:sc= -0.2 K(o=-0.2,f=-3.4!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -174:sc= -0.182 (180deg=-0.235) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -118:sc= 0.943 (180deg=0.105) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 130:sc= 0.00838 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 73 CYS SG : rot 180:sc= -0.251 USER MOD ----------------------------------------------------------------- ATOM 248 N GLU A 17 -4.332 -11.263 -2.910 1.00 0.00 N ATOM 249 CA GLU A 17 -3.038 -10.548 -2.854 1.00 0.00 C ATOM 250 C GLU A 17 -2.880 -9.568 -4.031 1.00 0.00 C ATOM 251 O GLU A 17 -2.483 -8.418 -3.830 1.00 0.00 O ATOM 252 CB GLU A 17 -1.866 -11.560 -2.835 1.00 0.00 C ATOM 253 CG GLU A 17 -0.478 -10.892 -2.755 1.00 0.00 C ATOM 254 CD GLU A 17 0.682 -11.887 -2.730 1.00 0.00 C ATOM 255 OE1 GLU A 17 0.885 -12.547 -1.693 1.00 0.00 O ATOM 256 OE2 GLU A 17 1.403 -12.013 -3.745 1.00 0.00 O ATOM 0 HA GLU A 17 -3.020 -9.965 -1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.988 -12.229 -1.983 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.913 -12.175 -3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.355 -10.226 -3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.434 -10.273 -1.859 1.00 0.00 H new ATOM 263 N GLY A 18 -3.154 -10.052 -5.255 1.00 0.00 N ATOM 264 CA GLY A 18 -3.131 -9.217 -6.454 1.00 0.00 C ATOM 265 C GLY A 18 -4.101 -8.043 -6.401 1.00 0.00 C ATOM 266 O GLY A 18 -3.753 -6.934 -6.795 1.00 0.00 O ATOM 0 H GLY A 18 -3.395 -11.027 -5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.121 -8.836 -6.601 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.368 -9.834 -7.321 1.00 0.00 H new ATOM 270 N HIS A 19 -5.298 -8.281 -5.847 1.00 0.00 N ATOM 271 CA HIS A 19 -6.350 -7.247 -5.743 1.00 0.00 C ATOM 272 C HIS A 19 -6.037 -6.284 -4.581 1.00 0.00 C ATOM 273 O HIS A 19 -6.381 -5.097 -4.636 1.00 0.00 O ATOM 274 CB HIS A 19 -7.748 -7.896 -5.580 1.00 0.00 C ATOM 275 CG HIS A 19 -8.221 -8.673 -6.794 1.00 0.00 C ATOM 276 ND1 HIS A 19 -8.069 -8.435 -8.123 1.00 0.00 N flip ATOM 277 CD2 HIS A 19 -8.949 -9.837 -6.707 1.00 0.00 C flip ATOM 278 CE1 HIS A 19 -8.695 -9.451 -8.800 1.00 0.00 C flip ATOM 279 NE2 HIS A 19 -9.218 -10.283 -7.919 1.00 0.00 N flip ATOM 0 H HIS A 19 -5.568 -9.185 -5.460 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.365 -6.669 -6.667 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -7.727 -8.566 -4.720 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -8.475 -7.115 -5.358 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -7.579 -7.645 -8.541 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -9.254 -10.313 -5.787 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.750 -9.553 -9.874 1.00 0.00 H new ATOM 288 N LEU A 20 -5.374 -6.834 -3.549 1.00 0.00 N ATOM 289 CA LEU A 20 -4.845 -6.086 -2.392 1.00 0.00 C ATOM 290 C LEU A 20 -3.814 -5.055 -2.875 1.00 0.00 C ATOM 291 O LEU A 20 -3.861 -3.879 -2.491 1.00 0.00 O ATOM 292 CB LEU A 20 -4.199 -7.104 -1.387 1.00 0.00 C ATOM 293 CG LEU A 20 -3.853 -6.627 0.062 1.00 0.00 C ATOM 294 CD1 LEU A 20 -2.559 -5.796 0.138 1.00 0.00 C ATOM 295 CD2 LEU A 20 -5.039 -5.875 0.676 1.00 0.00 C ATOM 0 H LEU A 20 -5.186 -7.835 -3.494 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.647 -5.550 -1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.876 -7.954 -1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.279 -7.474 -1.840 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.662 -7.524 0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.378 -5.498 1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.721 -6.394 -0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.661 -4.907 -0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.781 -5.550 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.275 -5.005 0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.906 -6.535 0.718 1.00 0.00 H new ATOM 307 N GLU A 21 -2.909 -5.537 -3.742 1.00 0.00 N ATOM 308 CA GLU A 21 -1.854 -4.742 -4.379 1.00 0.00 C ATOM 309 C GLU A 21 -2.466 -3.581 -5.171 1.00 0.00 C ATOM 310 O GLU A 21 -2.117 -2.419 -4.953 1.00 0.00 O ATOM 311 CB GLU A 21 -1.016 -5.665 -5.314 1.00 0.00 C ATOM 312 CG GLU A 21 -0.148 -4.918 -6.340 1.00 0.00 C ATOM 313 CD GLU A 21 0.727 -5.848 -7.172 1.00 0.00 C ATOM 314 OE1 GLU A 21 1.833 -6.170 -6.732 1.00 0.00 O ATOM 315 OE2 GLU A 21 0.311 -6.261 -8.277 1.00 0.00 O ATOM 0 H GLU A 21 -2.893 -6.517 -4.025 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.203 -4.319 -3.614 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.370 -6.292 -4.700 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.694 -6.331 -5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.794 -4.345 -7.005 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.487 -4.202 -5.818 1.00 0.00 H new ATOM 322 N GLN A 22 -3.436 -3.924 -6.036 1.00 0.00 N ATOM 323 CA GLN A 22 -4.057 -2.971 -6.967 1.00 0.00 C ATOM 324 C GLN A 22 -4.805 -1.880 -6.203 1.00 0.00 C ATOM 325 O GLN A 22 -4.801 -0.725 -6.627 1.00 0.00 O ATOM 326 CB GLN A 22 -4.989 -3.715 -7.950 1.00 0.00 C ATOM 327 CG GLN A 22 -4.243 -4.707 -8.859 1.00 0.00 C ATOM 328 CD GLN A 22 -5.136 -5.637 -9.689 1.00 0.00 C ATOM 329 OE1 GLN A 22 -6.327 -5.950 -9.199 1.00 0.00 O flip ATOM 330 NE2 GLN A 22 -4.749 -6.076 -10.767 1.00 0.00 N flip ATOM 0 H GLN A 22 -3.810 -4.870 -6.108 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.273 -2.485 -7.549 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.749 -4.252 -7.383 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.510 -2.985 -8.570 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.605 -4.142 -9.538 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -3.587 -5.318 -8.240 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.828 -5.819 -11.121 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.349 -6.698 -11.309 1.00 0.00 H new ATOM 339 N ARG A 23 -5.411 -2.243 -5.048 1.00 0.00 N ATOM 340 CA ARG A 23 -6.094 -1.287 -4.166 1.00 0.00 C ATOM 341 C ARG A 23 -5.108 -0.322 -3.485 1.00 0.00 C ATOM 342 O ARG A 23 -5.365 0.881 -3.464 1.00 0.00 O ATOM 343 CB ARG A 23 -6.954 -2.041 -3.102 1.00 0.00 C ATOM 344 CG ARG A 23 -8.336 -2.497 -3.612 1.00 0.00 C ATOM 345 CD ARG A 23 -9.244 -1.307 -3.966 1.00 0.00 C ATOM 346 NE ARG A 23 -9.528 -0.483 -2.775 1.00 0.00 N ATOM 347 CZ ARG A 23 -9.511 0.860 -2.713 1.00 0.00 C ATOM 348 NH1 ARG A 23 -9.224 1.593 -3.777 1.00 0.00 N ATOM 349 NH2 ARG A 23 -9.804 1.464 -1.572 1.00 0.00 N ATOM 0 H ARG A 23 -5.436 -3.205 -4.709 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.755 -0.684 -4.789 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.401 -2.914 -2.757 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.095 -1.391 -2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.207 -3.128 -4.491 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.820 -3.107 -2.850 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.765 -0.695 -4.730 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.179 -1.673 -4.391 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.760 -0.981 -1.915 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.010 1.140 -4.666 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.217 2.611 -3.708 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.040 0.911 -0.748 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.793 2.482 -1.517 1.00 0.00 H new ATOM 363 N ILE A 24 -3.990 -0.854 -2.935 1.00 0.00 N ATOM 364 CA ILE A 24 -2.951 -0.028 -2.269 1.00 0.00 C ATOM 365 C ILE A 24 -2.379 1.000 -3.258 1.00 0.00 C ATOM 366 O ILE A 24 -2.381 2.204 -2.973 1.00 0.00 O ATOM 367 CB ILE A 24 -1.774 -0.892 -1.652 1.00 0.00 C ATOM 368 CG1 ILE A 24 -2.284 -1.750 -0.453 1.00 0.00 C ATOM 369 CG2 ILE A 24 -0.566 -0.002 -1.224 1.00 0.00 C ATOM 370 CD1 ILE A 24 -1.204 -2.551 0.257 1.00 0.00 C ATOM 0 H ILE A 24 -3.783 -1.853 -2.939 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.441 0.482 -1.440 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.422 -1.567 -2.432 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.764 -1.091 0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.049 -2.437 -0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.220 -0.631 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.180 0.530 -2.093 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.892 0.718 -0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.649 -3.116 1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.739 -3.239 -0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.449 -1.872 0.653 1.00 0.00 H new ATOM 382 N LEU A 25 -1.965 0.516 -4.448 1.00 0.00 N ATOM 383 CA LEU A 25 -1.345 1.350 -5.487 1.00 0.00 C ATOM 384 C LEU A 25 -2.349 2.392 -6.018 1.00 0.00 C ATOM 385 O LEU A 25 -1.952 3.502 -6.361 1.00 0.00 O ATOM 386 CB LEU A 25 -0.808 0.462 -6.651 1.00 0.00 C ATOM 387 CG LEU A 25 0.226 -0.648 -6.255 1.00 0.00 C ATOM 388 CD1 LEU A 25 0.707 -1.440 -7.495 1.00 0.00 C ATOM 389 CD2 LEU A 25 1.418 -0.062 -5.469 1.00 0.00 C ATOM 0 H LEU A 25 -2.053 -0.466 -4.711 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.503 1.882 -5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.658 -0.019 -7.135 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.345 1.113 -7.393 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.288 -1.347 -5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.423 -2.201 -7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.147 -1.918 -7.975 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.184 -0.759 -8.199 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.113 -0.862 -5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.929 0.680 -6.083 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.055 0.410 -4.556 1.00 0.00 H new ATOM 401 N GLN A 26 -3.655 2.025 -6.031 1.00 0.00 N ATOM 402 CA GLN A 26 -4.741 2.922 -6.478 1.00 0.00 C ATOM 403 C GLN A 26 -4.919 4.076 -5.479 1.00 0.00 C ATOM 404 O GLN A 26 -4.952 5.230 -5.873 1.00 0.00 O ATOM 405 CB GLN A 26 -6.083 2.151 -6.637 1.00 0.00 C ATOM 406 CG GLN A 26 -7.184 2.938 -7.368 1.00 0.00 C ATOM 407 CD GLN A 26 -8.513 2.182 -7.411 1.00 0.00 C ATOM 408 OE1 GLN A 26 -9.376 2.438 -6.449 1.00 0.00 O flip ATOM 409 NE2 GLN A 26 -8.763 1.381 -8.308 1.00 0.00 N flip ATOM 0 H GLN A 26 -3.979 1.105 -5.733 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.462 3.325 -7.452 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.894 1.225 -7.180 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.448 1.873 -5.648 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.331 3.897 -6.872 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.858 3.152 -8.386 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.075 1.203 -9.040 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.659 0.893 -8.321 1.00 0.00 H new ATOM 418 N VAL A 27 -4.983 3.732 -4.178 1.00 0.00 N ATOM 419 CA VAL A 27 -5.134 4.698 -3.068 1.00 0.00 C ATOM 420 C VAL A 27 -3.959 5.704 -3.050 1.00 0.00 C ATOM 421 O VAL A 27 -4.146 6.904 -2.789 1.00 0.00 O ATOM 422 CB VAL A 27 -5.253 3.917 -1.696 1.00 0.00 C ATOM 423 CG1 VAL A 27 -5.146 4.848 -0.466 1.00 0.00 C ATOM 424 CG2 VAL A 27 -6.570 3.101 -1.649 1.00 0.00 C ATOM 0 H VAL A 27 -4.931 2.763 -3.863 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.047 5.274 -3.216 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.405 3.233 -1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.234 4.258 0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.182 5.356 -0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.946 5.587 -0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.636 2.570 -0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.420 3.776 -1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.582 2.382 -2.468 1.00 0.00 H new ATOM 434 N LEU A 28 -2.764 5.193 -3.386 1.00 0.00 N ATOM 435 CA LEU A 28 -1.543 6.002 -3.536 1.00 0.00 C ATOM 436 C LEU A 28 -1.661 6.948 -4.758 1.00 0.00 C ATOM 437 O LEU A 28 -1.252 8.115 -4.683 1.00 0.00 O ATOM 438 CB LEU A 28 -0.315 5.070 -3.688 1.00 0.00 C ATOM 439 CG LEU A 28 0.058 4.200 -2.446 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.124 3.152 -2.816 1.00 0.00 C ATOM 441 CD2 LEU A 28 0.531 5.072 -1.263 1.00 0.00 C ATOM 0 H LEU A 28 -2.616 4.199 -3.563 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.415 6.616 -2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.496 4.402 -4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.548 5.683 -3.947 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.843 3.676 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.370 2.557 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.737 2.500 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.021 3.657 -3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.782 4.432 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.411 5.642 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.266 5.758 -0.975 1.00 0.00 H new ATOM 453 N THR A 29 -2.243 6.428 -5.866 1.00 0.00 N ATOM 454 CA THR A 29 -2.443 7.177 -7.123 1.00 0.00 C ATOM 455 C THR A 29 -3.445 8.334 -6.936 1.00 0.00 C ATOM 456 O THR A 29 -3.163 9.471 -7.330 1.00 0.00 O ATOM 457 CB THR A 29 -2.929 6.214 -8.279 1.00 0.00 C ATOM 458 OG1 THR A 29 -1.905 5.262 -8.587 1.00 0.00 O ATOM 459 CG2 THR A 29 -3.311 6.956 -9.571 1.00 0.00 C ATOM 0 H THR A 29 -2.588 5.469 -5.909 1.00 0.00 H new ATOM 0 HA THR A 29 -1.481 7.605 -7.405 1.00 0.00 H new ATOM 0 HB THR A 29 -3.825 5.720 -7.904 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.843 4.603 -7.864 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.635 6.236 -10.322 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.122 7.654 -9.364 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.447 7.505 -9.944 1.00 0.00 H new ATOM 467 N GLU A 30 -4.599 8.039 -6.308 1.00 0.00 N ATOM 468 CA GLU A 30 -5.708 8.997 -6.154 1.00 0.00 C ATOM 469 C GLU A 30 -5.332 10.148 -5.215 1.00 0.00 C ATOM 470 O GLU A 30 -5.709 11.304 -5.454 1.00 0.00 O ATOM 471 CB GLU A 30 -6.963 8.254 -5.627 1.00 0.00 C ATOM 472 CG GLU A 30 -7.410 7.056 -6.482 1.00 0.00 C ATOM 473 CD GLU A 30 -7.748 7.424 -7.932 1.00 0.00 C ATOM 474 OE1 GLU A 30 -8.849 7.951 -8.165 1.00 0.00 O ATOM 475 OE2 GLU A 30 -6.913 7.200 -8.837 1.00 0.00 O ATOM 0 H GLU A 30 -4.788 7.127 -5.892 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.925 9.432 -7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.763 7.905 -4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.788 8.964 -5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.619 6.306 -6.482 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.284 6.597 -6.020 1.00 0.00 H new ATOM 482 N ALA A 31 -4.598 9.811 -4.143 1.00 0.00 N ATOM 483 CA ALA A 31 -4.024 10.795 -3.221 1.00 0.00 C ATOM 484 C ALA A 31 -2.987 11.669 -3.932 1.00 0.00 C ATOM 485 O ALA A 31 -2.924 12.884 -3.706 1.00 0.00 O ATOM 486 CB ALA A 31 -3.376 10.077 -2.033 1.00 0.00 C ATOM 0 H ALA A 31 -4.387 8.845 -3.893 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.826 11.439 -2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.951 10.813 -1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.129 9.489 -1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.586 9.418 -2.393 1.00 0.00 H new ATOM 492 N GLY A 32 -2.174 11.020 -4.794 1.00 0.00 N ATOM 493 CA GLY A 32 -1.030 11.675 -5.436 1.00 0.00 C ATOM 494 C GLY A 32 0.013 12.128 -4.422 1.00 0.00 C ATOM 495 O GLY A 32 0.745 13.100 -4.648 1.00 0.00 O ATOM 0 H GLY A 32 -2.295 10.042 -5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.570 10.987 -6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.379 12.536 -6.006 1.00 0.00 H new ATOM 499 N SER A 33 0.069 11.399 -3.298 1.00 0.00 N ATOM 500 CA SER A 33 0.828 11.779 -2.098 1.00 0.00 C ATOM 501 C SER A 33 1.208 10.498 -1.314 1.00 0.00 C ATOM 502 O SER A 33 0.577 9.447 -1.512 1.00 0.00 O ATOM 503 CB SER A 33 -0.039 12.719 -1.202 1.00 0.00 C ATOM 504 OG SER A 33 -0.391 13.936 -1.863 1.00 0.00 O ATOM 0 H SER A 33 -0.422 10.511 -3.196 1.00 0.00 H new ATOM 0 HA SER A 33 1.735 12.310 -2.387 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.948 12.195 -0.905 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.509 12.951 -0.289 1.00 0.00 H new ATOM 0 HG SER A 33 -1.179 13.786 -2.426 1.00 0.00 H new ATOM 510 N PRO A 34 2.260 10.546 -0.437 1.00 0.00 N ATOM 511 CA PRO A 34 2.553 9.442 0.506 1.00 0.00 C ATOM 512 C PRO A 34 1.379 9.181 1.480 1.00 0.00 C ATOM 513 O PRO A 34 0.958 10.078 2.217 1.00 0.00 O ATOM 514 CB PRO A 34 3.826 9.933 1.258 1.00 0.00 C ATOM 515 CG PRO A 34 4.436 10.954 0.343 1.00 0.00 C ATOM 516 CD PRO A 34 3.268 11.632 -0.330 1.00 0.00 C ATOM 0 HA PRO A 34 2.702 8.489 -0.002 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.572 10.368 2.225 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.515 9.111 1.450 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.040 11.671 0.900 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.093 10.484 -0.389 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.896 12.470 0.259 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.541 12.026 -1.309 1.00 0.00 H new ATOM 524 N VAL A 35 0.866 7.942 1.467 1.00 0.00 N ATOM 525 CA VAL A 35 -0.271 7.500 2.300 1.00 0.00 C ATOM 526 C VAL A 35 0.257 6.572 3.404 1.00 0.00 C ATOM 527 O VAL A 35 1.005 5.630 3.118 1.00 0.00 O ATOM 528 CB VAL A 35 -1.342 6.730 1.428 1.00 0.00 C ATOM 529 CG1 VAL A 35 -2.489 6.156 2.286 1.00 0.00 C ATOM 530 CG2 VAL A 35 -1.886 7.638 0.303 1.00 0.00 C ATOM 0 H VAL A 35 1.234 7.203 0.868 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.753 8.374 2.738 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.836 5.880 0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.199 5.636 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.082 5.457 3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.997 6.969 2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.621 7.088 -0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.356 8.518 0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.065 7.949 -0.343 1.00 0.00 H new ATOM 540 N LYS A 36 -0.143 6.839 4.665 1.00 0.00 N ATOM 541 CA LYS A 36 0.266 6.027 5.825 1.00 0.00 C ATOM 542 C LYS A 36 -0.332 4.624 5.744 1.00 0.00 C ATOM 543 O LYS A 36 -1.410 4.440 5.165 1.00 0.00 O ATOM 544 CB LYS A 36 -0.176 6.714 7.148 1.00 0.00 C ATOM 545 CG LYS A 36 0.450 8.107 7.378 1.00 0.00 C ATOM 546 CD LYS A 36 0.049 8.717 8.744 1.00 0.00 C ATOM 547 CE LYS A 36 0.729 10.074 9.005 1.00 0.00 C ATOM 548 NZ LYS A 36 0.313 10.669 10.310 1.00 0.00 N ATOM 0 H LYS A 36 -0.755 7.619 4.904 1.00 0.00 H new ATOM 0 HA LYS A 36 1.353 5.942 5.813 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.262 6.811 7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.086 6.067 7.985 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.536 8.028 7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.139 8.779 6.578 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.033 8.844 8.778 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.314 8.022 9.541 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.811 9.945 8.995 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.483 10.764 8.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.794 11.581 10.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.716 10.817 10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.571 10.024 11.084 1.00 0.00 H new ATOM 562 N LEU A 37 0.368 3.650 6.359 1.00 0.00 N ATOM 563 CA LEU A 37 -0.121 2.266 6.487 1.00 0.00 C ATOM 564 C LEU A 37 -1.447 2.252 7.260 1.00 0.00 C ATOM 565 O LEU A 37 -2.391 1.585 6.850 1.00 0.00 O ATOM 566 CB LEU A 37 0.941 1.376 7.184 1.00 0.00 C ATOM 567 CG LEU A 37 0.538 -0.096 7.522 1.00 0.00 C ATOM 568 CD1 LEU A 37 -0.008 -0.855 6.291 1.00 0.00 C ATOM 569 CD2 LEU A 37 1.733 -0.847 8.153 1.00 0.00 C ATOM 0 H LEU A 37 1.285 3.802 6.779 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.296 1.857 5.492 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.825 1.345 6.547 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.234 1.866 8.112 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.275 -0.054 8.247 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.273 -1.872 6.579 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.892 -0.343 5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.756 -0.885 5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.439 -1.871 8.384 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.567 -0.858 7.451 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.037 -0.342 9.070 1.00 0.00 H new ATOM 581 N ALA A 38 -1.481 3.013 8.371 1.00 0.00 N ATOM 582 CA ALA A 38 -2.707 3.349 9.131 1.00 0.00 C ATOM 583 C ALA A 38 -3.925 3.691 8.235 1.00 0.00 C ATOM 584 O ALA A 38 -5.045 3.235 8.509 1.00 0.00 O ATOM 585 CB ALA A 38 -2.421 4.524 10.068 1.00 0.00 C ATOM 0 H ALA A 38 -0.639 3.422 8.777 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.976 2.455 9.693 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.323 4.771 10.627 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.627 4.250 10.763 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.109 5.389 9.482 1.00 0.00 H new ATOM 591 N GLN A 39 -3.702 4.479 7.161 1.00 0.00 N ATOM 592 CA GLN A 39 -4.782 4.880 6.244 1.00 0.00 C ATOM 593 C GLN A 39 -5.013 3.790 5.180 1.00 0.00 C ATOM 594 O GLN A 39 -6.136 3.600 4.733 1.00 0.00 O ATOM 595 CB GLN A 39 -4.470 6.245 5.573 1.00 0.00 C ATOM 596 CG GLN A 39 -5.655 6.817 4.768 1.00 0.00 C ATOM 597 CD GLN A 39 -5.364 8.148 4.076 1.00 0.00 C ATOM 598 OE1 GLN A 39 -4.903 8.175 2.942 1.00 0.00 O ATOM 599 NE2 GLN A 39 -5.625 9.254 4.754 1.00 0.00 N ATOM 0 H GLN A 39 -2.784 4.848 6.911 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.696 4.997 6.826 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.183 6.962 6.342 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.613 6.128 4.910 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.953 6.087 4.015 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.504 6.948 5.438 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.009 9.195 5.697 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.442 10.165 4.333 1.00 0.00 H new ATOM 608 N LEU A 40 -3.946 3.044 4.827 1.00 0.00 N ATOM 609 CA LEU A 40 -4.033 1.935 3.853 1.00 0.00 C ATOM 610 C LEU A 40 -4.972 0.832 4.384 1.00 0.00 C ATOM 611 O LEU A 40 -5.649 0.182 3.604 1.00 0.00 O ATOM 612 CB LEU A 40 -2.625 1.346 3.529 1.00 0.00 C ATOM 613 CG LEU A 40 -1.674 2.254 2.673 1.00 0.00 C ATOM 614 CD1 LEU A 40 -0.264 1.626 2.544 1.00 0.00 C ATOM 615 CD2 LEU A 40 -2.289 2.544 1.280 1.00 0.00 C ATOM 0 H LEU A 40 -3.010 3.190 5.204 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.444 2.334 2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.125 1.117 4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.762 0.401 3.003 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.564 3.205 3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.372 2.279 1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.172 1.504 3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.342 0.652 2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.610 3.175 0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.447 1.605 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.243 3.056 1.403 1.00 0.00 H new ATOM 627 N VAL A 41 -5.000 0.639 5.715 1.00 0.00 N ATOM 628 CA VAL A 41 -5.917 -0.310 6.385 1.00 0.00 C ATOM 629 C VAL A 41 -7.392 0.033 6.110 1.00 0.00 C ATOM 630 O VAL A 41 -8.149 -0.809 5.609 1.00 0.00 O ATOM 631 CB VAL A 41 -5.655 -0.347 7.942 1.00 0.00 C ATOM 632 CG1 VAL A 41 -6.527 -1.403 8.642 1.00 0.00 C ATOM 633 CG2 VAL A 41 -4.172 -0.585 8.255 1.00 0.00 C ATOM 0 H VAL A 41 -4.387 1.137 6.361 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.714 -1.297 5.969 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.934 0.631 8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.317 -1.397 9.712 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.580 -1.173 8.477 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.303 -2.389 8.234 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.027 -0.605 9.335 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.859 -1.538 7.829 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.575 0.219 7.823 1.00 0.00 H new ATOM 643 N LYS A 42 -7.774 1.282 6.422 1.00 0.00 N ATOM 644 CA LYS A 42 -9.178 1.725 6.322 1.00 0.00 C ATOM 645 C LYS A 42 -9.644 1.885 4.856 1.00 0.00 C ATOM 646 O LYS A 42 -10.776 1.517 4.526 1.00 0.00 O ATOM 647 CB LYS A 42 -9.418 3.018 7.154 1.00 0.00 C ATOM 648 CG LYS A 42 -8.517 4.217 6.794 1.00 0.00 C ATOM 649 CD LYS A 42 -8.816 5.471 7.651 1.00 0.00 C ATOM 650 CE LYS A 42 -8.607 5.250 9.161 1.00 0.00 C ATOM 651 NZ LYS A 42 -7.200 4.892 9.494 1.00 0.00 N ATOM 0 H LYS A 42 -7.131 2.005 6.746 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.795 0.936 6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.459 3.319 7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.275 2.782 8.209 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.473 3.933 6.925 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.650 4.462 5.740 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.175 6.288 7.320 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.846 5.783 7.477 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.886 6.156 9.700 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.272 4.457 9.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.122 4.704 10.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.923 4.042 8.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.571 5.680 9.238 1.00 0.00 H new ATOM 665 N GLU A 43 -8.770 2.415 3.982 1.00 0.00 N ATOM 666 CA GLU A 43 -9.066 2.569 2.544 1.00 0.00 C ATOM 667 C GLU A 43 -9.183 1.208 1.832 1.00 0.00 C ATOM 668 O GLU A 43 -10.171 0.941 1.138 1.00 0.00 O ATOM 669 CB GLU A 43 -7.968 3.426 1.866 1.00 0.00 C ATOM 670 CG GLU A 43 -7.827 4.860 2.416 1.00 0.00 C ATOM 671 CD GLU A 43 -9.071 5.742 2.188 1.00 0.00 C ATOM 672 OE1 GLU A 43 -9.257 6.228 1.057 1.00 0.00 O ATOM 673 OE2 GLU A 43 -9.853 5.971 3.141 1.00 0.00 O ATOM 0 H GLU A 43 -7.843 2.747 4.249 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.029 3.071 2.458 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.011 2.916 1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.180 3.482 0.798 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.620 4.810 3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.966 5.335 1.947 1.00 0.00 H new ATOM 680 N CYS A 44 -8.178 0.338 2.029 1.00 0.00 N ATOM 681 CA CYS A 44 -8.101 -0.969 1.339 1.00 0.00 C ATOM 682 C CYS A 44 -9.034 -2.003 2.010 1.00 0.00 C ATOM 683 O CYS A 44 -9.287 -3.065 1.437 1.00 0.00 O ATOM 684 CB CYS A 44 -6.638 -1.476 1.325 1.00 0.00 C ATOM 685 SG CYS A 44 -6.305 -2.803 0.152 1.00 0.00 S ATOM 0 H CYS A 44 -7.400 0.515 2.665 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.435 -0.838 0.310 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -5.980 -0.637 1.098 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.379 -1.822 2.326 1.00 0.00 H new ATOM 0 HG CYS A 44 -5.021 -2.971 0.040 1.00 0.00 H new ATOM 691 N GLN A 45 -9.538 -1.661 3.230 1.00 0.00 N ATOM 692 CA GLN A 45 -10.509 -2.473 4.003 1.00 0.00 C ATOM 693 C GLN A 45 -9.934 -3.859 4.374 1.00 0.00 C ATOM 694 O GLN A 45 -10.677 -4.824 4.591 1.00 0.00 O ATOM 695 CB GLN A 45 -11.869 -2.585 3.233 1.00 0.00 C ATOM 696 CG GLN A 45 -12.629 -1.245 3.024 1.00 0.00 C ATOM 697 CD GLN A 45 -13.233 -0.643 4.311 1.00 0.00 C ATOM 698 OE1 GLN A 45 -12.724 -0.818 5.418 1.00 0.00 O ATOM 699 NE2 GLN A 45 -14.332 0.081 4.168 1.00 0.00 N ATOM 0 H GLN A 45 -9.273 -0.799 3.707 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.703 -1.960 4.945 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.679 -3.031 2.257 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.519 -3.271 3.776 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -11.945 -0.519 2.585 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.430 -1.405 2.302 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -14.738 0.214 3.242 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -14.773 0.506 4.984 1.00 0.00 H new ATOM 708 N ALA A 46 -8.602 -3.910 4.519 1.00 0.00 N ATOM 709 CA ALA A 46 -7.843 -5.157 4.716 1.00 0.00 C ATOM 710 C ALA A 46 -7.029 -5.119 6.028 1.00 0.00 C ATOM 711 O ALA A 46 -6.715 -4.029 6.524 1.00 0.00 O ATOM 712 CB ALA A 46 -6.921 -5.361 3.515 1.00 0.00 C ATOM 0 H ALA A 46 -8.013 -3.077 4.503 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.539 -5.992 4.796 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.351 -6.281 3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.518 -5.430 2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.235 -4.518 3.436 1.00 0.00 H new ATOM 718 N PRO A 47 -6.686 -6.315 6.628 1.00 0.00 N ATOM 719 CA PRO A 47 -5.856 -6.373 7.852 1.00 0.00 C ATOM 720 C PRO A 47 -4.425 -5.838 7.595 1.00 0.00 C ATOM 721 O PRO A 47 -3.782 -6.218 6.612 1.00 0.00 O ATOM 722 CB PRO A 47 -5.855 -7.886 8.231 1.00 0.00 C ATOM 723 CG PRO A 47 -6.166 -8.605 6.955 1.00 0.00 C ATOM 724 CD PRO A 47 -7.085 -7.687 6.174 1.00 0.00 C ATOM 0 HA PRO A 47 -6.245 -5.746 8.655 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.888 -8.192 8.631 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.600 -8.102 8.997 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.256 -8.816 6.394 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.647 -9.563 7.154 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.952 -7.807 5.099 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.134 -7.891 6.390 1.00 0.00 H new ATOM 732 N LYS A 48 -3.985 -4.908 8.470 1.00 0.00 N ATOM 733 CA LYS A 48 -2.624 -4.324 8.467 1.00 0.00 C ATOM 734 C LYS A 48 -1.505 -5.390 8.294 1.00 0.00 C ATOM 735 O LYS A 48 -0.568 -5.177 7.530 1.00 0.00 O ATOM 736 CB LYS A 48 -2.407 -3.499 9.763 1.00 0.00 C ATOM 737 CG LYS A 48 -1.039 -2.799 9.851 1.00 0.00 C ATOM 738 CD LYS A 48 -0.906 -1.888 11.094 1.00 0.00 C ATOM 739 CE LYS A 48 -1.885 -0.703 11.069 1.00 0.00 C ATOM 740 NZ LYS A 48 -1.704 0.213 12.231 1.00 0.00 N ATOM 0 H LYS A 48 -4.576 -4.534 9.213 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.553 -3.669 7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.192 -2.746 9.835 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.519 -4.160 10.623 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.252 -3.553 9.874 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.883 -2.203 8.952 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.081 -2.479 11.993 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.114 -1.510 11.155 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.748 -0.143 10.144 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.907 -1.081 11.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.387 0.994 12.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.861 -0.312 13.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.737 0.597 12.223 1.00 0.00 H new ATOM 754 N ARG A 49 -1.665 -6.545 8.973 1.00 0.00 N ATOM 755 CA ARG A 49 -0.732 -7.700 8.892 1.00 0.00 C ATOM 756 C ARG A 49 -0.503 -8.161 7.430 1.00 0.00 C ATOM 757 O ARG A 49 0.650 -8.346 6.992 1.00 0.00 O ATOM 758 CB ARG A 49 -1.307 -8.872 9.735 1.00 0.00 C ATOM 759 CG ARG A 49 -0.479 -10.176 9.711 1.00 0.00 C ATOM 760 CD ARG A 49 0.896 -10.033 10.385 1.00 0.00 C ATOM 761 NE ARG A 49 0.763 -9.709 11.820 1.00 0.00 N ATOM 762 CZ ARG A 49 1.462 -10.286 12.818 1.00 0.00 C ATOM 763 NH1 ARG A 49 2.360 -11.244 12.576 1.00 0.00 N ATOM 764 NH2 ARG A 49 1.266 -9.884 14.064 1.00 0.00 N ATOM 0 H ARG A 49 -2.452 -6.709 9.601 1.00 0.00 H new ATOM 0 HA ARG A 49 0.235 -7.387 9.286 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.401 -8.541 10.769 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.313 -9.094 9.378 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.041 -10.965 10.211 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.339 -10.491 8.677 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.457 -10.961 10.271 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.468 -9.251 9.886 1.00 0.00 H new ATOM 0 HE ARG A 49 0.087 -8.990 12.077 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.529 -11.554 11.619 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.877 -11.666 13.348 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.592 -9.145 14.261 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.789 -10.314 14.827 1.00 0.00 H new ATOM 778 N GLU A 50 -1.620 -8.294 6.692 1.00 0.00 N ATOM 779 CA GLU A 50 -1.628 -8.700 5.282 1.00 0.00 C ATOM 780 C GLU A 50 -0.969 -7.625 4.405 1.00 0.00 C ATOM 781 O GLU A 50 -0.150 -7.944 3.526 1.00 0.00 O ATOM 782 CB GLU A 50 -3.087 -8.947 4.837 1.00 0.00 C ATOM 783 CG GLU A 50 -3.262 -9.329 3.361 1.00 0.00 C ATOM 784 CD GLU A 50 -4.723 -9.632 3.012 1.00 0.00 C ATOM 785 OE1 GLU A 50 -5.460 -8.697 2.653 1.00 0.00 O ATOM 786 OE2 GLU A 50 -5.145 -10.812 3.109 1.00 0.00 O ATOM 0 H GLU A 50 -2.553 -8.119 7.067 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.054 -9.620 5.167 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.509 -9.740 5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.668 -8.046 5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.901 -8.516 2.731 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.648 -10.202 3.138 1.00 0.00 H new ATOM 793 N LEU A 51 -1.321 -6.345 4.693 1.00 0.00 N ATOM 794 CA LEU A 51 -0.810 -5.172 3.961 1.00 0.00 C ATOM 795 C LEU A 51 0.724 -5.121 3.993 1.00 0.00 C ATOM 796 O LEU A 51 1.332 -5.055 2.944 1.00 0.00 O ATOM 797 CB LEU A 51 -1.397 -3.858 4.540 1.00 0.00 C ATOM 798 CG LEU A 51 -2.947 -3.718 4.469 1.00 0.00 C ATOM 799 CD1 LEU A 51 -3.419 -2.483 5.236 1.00 0.00 C ATOM 800 CD2 LEU A 51 -3.458 -3.670 3.022 1.00 0.00 C ATOM 0 H LEU A 51 -1.969 -6.104 5.443 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.129 -5.270 2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.091 -3.774 5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.951 -3.018 4.008 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.367 -4.608 4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.504 -2.407 5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.123 -2.569 6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.967 -1.591 4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.544 -3.572 3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.017 -2.816 2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.177 -4.588 2.506 1.00 0.00 H new ATOM 812 N ASN A 52 1.314 -5.212 5.215 1.00 0.00 N ATOM 813 CA ASN A 52 2.786 -5.196 5.448 1.00 0.00 C ATOM 814 C ASN A 52 3.524 -6.166 4.519 1.00 0.00 C ATOM 815 O ASN A 52 4.409 -5.759 3.758 1.00 0.00 O ATOM 816 CB ASN A 52 3.125 -5.563 6.925 1.00 0.00 C ATOM 817 CG ASN A 52 2.867 -4.434 7.926 1.00 0.00 C ATOM 818 OD1 ASN A 52 1.766 -4.279 8.445 1.00 0.00 O ATOM 819 ND2 ASN A 52 3.886 -3.644 8.232 1.00 0.00 N ATOM 0 H ASN A 52 0.775 -5.300 6.077 1.00 0.00 H new ATOM 0 HA ASN A 52 3.119 -4.180 5.235 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.536 -6.433 7.216 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.174 -5.853 6.984 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.762 -2.892 8.909 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.794 -3.788 7.790 1.00 0.00 H new ATOM 826 N GLN A 53 3.112 -7.437 4.570 1.00 0.00 N ATOM 827 CA GLN A 53 3.768 -8.530 3.836 1.00 0.00 C ATOM 828 C GLN A 53 3.739 -8.293 2.303 1.00 0.00 C ATOM 829 O GLN A 53 4.755 -8.504 1.623 1.00 0.00 O ATOM 830 CB GLN A 53 3.099 -9.881 4.215 1.00 0.00 C ATOM 831 CG GLN A 53 3.757 -11.161 3.630 1.00 0.00 C ATOM 832 CD GLN A 53 5.149 -11.518 4.202 1.00 0.00 C ATOM 833 OE1 GLN A 53 5.929 -10.659 4.617 1.00 0.00 O ATOM 834 NE2 GLN A 53 5.484 -12.802 4.195 1.00 0.00 N ATOM 0 H GLN A 53 2.311 -7.740 5.123 1.00 0.00 H new ATOM 0 HA GLN A 53 4.819 -8.561 4.124 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.091 -9.966 5.302 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.059 -9.851 3.890 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.087 -12.003 3.801 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.848 -11.040 2.550 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.825 -13.499 3.848 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.400 -13.092 4.537 1.00 0.00 H new ATOM 843 N VAL A 54 2.594 -7.811 1.769 1.00 0.00 N ATOM 844 CA VAL A 54 2.461 -7.491 0.332 1.00 0.00 C ATOM 845 C VAL A 54 3.312 -6.251 -0.022 1.00 0.00 C ATOM 846 O VAL A 54 4.008 -6.252 -1.036 1.00 0.00 O ATOM 847 CB VAL A 54 0.960 -7.255 -0.079 1.00 0.00 C ATOM 848 CG1 VAL A 54 0.823 -6.898 -1.584 1.00 0.00 C ATOM 849 CG2 VAL A 54 0.089 -8.483 0.278 1.00 0.00 C ATOM 0 H VAL A 54 1.749 -7.635 2.313 1.00 0.00 H new ATOM 0 HA VAL A 54 2.826 -8.350 -0.231 1.00 0.00 H new ATOM 0 HB VAL A 54 0.598 -6.400 0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.228 -6.743 -1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.382 -5.986 -1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.219 -7.714 -2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.944 -8.295 -0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.463 -9.360 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.134 -8.661 1.353 1.00 0.00 H new ATOM 859 N LEU A 55 3.247 -5.210 0.841 1.00 0.00 N ATOM 860 CA LEU A 55 4.001 -3.942 0.699 1.00 0.00 C ATOM 861 C LEU A 55 5.501 -4.153 0.462 1.00 0.00 C ATOM 862 O LEU A 55 6.038 -3.586 -0.483 1.00 0.00 O ATOM 863 CB LEU A 55 3.773 -3.021 1.941 1.00 0.00 C ATOM 864 CG LEU A 55 2.400 -2.275 1.997 1.00 0.00 C ATOM 865 CD1 LEU A 55 2.107 -1.750 3.416 1.00 0.00 C ATOM 866 CD2 LEU A 55 2.353 -1.128 0.967 1.00 0.00 C ATOM 0 H LEU A 55 2.657 -5.229 1.673 1.00 0.00 H new ATOM 0 HA LEU A 55 3.609 -3.453 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.872 -3.627 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.570 -2.277 1.969 1.00 0.00 H new ATOM 0 HG LEU A 55 1.622 -2.994 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.146 -1.236 3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.076 -2.586 4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.892 -1.056 3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.388 -0.625 1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.148 -0.414 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.490 -1.533 -0.035 1.00 0.00 H new ATOM 878 N TYR A 56 6.183 -4.989 1.277 1.00 0.00 N ATOM 879 CA TYR A 56 7.642 -5.177 1.133 1.00 0.00 C ATOM 880 C TYR A 56 7.982 -5.954 -0.150 1.00 0.00 C ATOM 881 O TYR A 56 9.060 -5.761 -0.717 1.00 0.00 O ATOM 882 CB TYR A 56 8.240 -5.898 2.361 1.00 0.00 C ATOM 883 CG TYR A 56 8.080 -5.133 3.680 1.00 0.00 C ATOM 884 CD1 TYR A 56 8.744 -3.923 3.901 1.00 0.00 C ATOM 885 CD2 TYR A 56 7.268 -5.620 4.704 1.00 0.00 C ATOM 886 CE1 TYR A 56 8.602 -3.239 5.094 1.00 0.00 C ATOM 887 CE2 TYR A 56 7.125 -4.935 5.898 1.00 0.00 C ATOM 888 CZ TYR A 56 7.788 -3.745 6.086 1.00 0.00 C ATOM 889 OH TYR A 56 7.639 -3.058 7.272 1.00 0.00 O ATOM 0 H TYR A 56 5.756 -5.534 2.026 1.00 0.00 H new ATOM 0 HA TYR A 56 8.087 -4.184 1.064 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.766 -6.875 2.461 1.00 0.00 H new ATOM 0 HB3 TYR A 56 9.301 -6.075 2.183 1.00 0.00 H new ATOM 0 HD1 TYR A 56 9.378 -3.516 3.127 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.740 -6.551 4.562 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.128 -2.309 5.249 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.495 -5.334 6.679 1.00 0.00 H new ATOM 0 HH TYR A 56 7.031 -3.551 7.862 1.00 0.00 H new ATOM 899 N ARG A 57 7.043 -6.808 -0.615 1.00 0.00 N ATOM 900 CA ARG A 57 7.198 -7.583 -1.859 1.00 0.00 C ATOM 901 C ARG A 57 7.067 -6.639 -3.074 1.00 0.00 C ATOM 902 O ARG A 57 7.862 -6.714 -4.017 1.00 0.00 O ATOM 903 CB ARG A 57 6.147 -8.740 -1.894 1.00 0.00 C ATOM 904 CG ARG A 57 6.322 -9.785 -3.034 1.00 0.00 C ATOM 905 CD ARG A 57 5.538 -9.453 -4.320 1.00 0.00 C ATOM 906 NE ARG A 57 4.092 -9.604 -4.135 1.00 0.00 N ATOM 907 CZ ARG A 57 3.149 -9.007 -4.882 1.00 0.00 C ATOM 908 NH1 ARG A 57 3.490 -8.215 -5.884 1.00 0.00 N ATOM 909 NH2 ARG A 57 1.868 -9.242 -4.642 1.00 0.00 N ATOM 0 H ARG A 57 6.158 -6.977 -0.136 1.00 0.00 H new ATOM 0 HA ARG A 57 8.187 -8.039 -1.899 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.181 -9.264 -0.939 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.154 -8.300 -1.981 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.381 -9.866 -3.278 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.003 -10.761 -2.669 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.760 -8.431 -4.626 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.871 -10.106 -5.126 1.00 0.00 H new ATOM 0 HE ARG A 57 3.777 -10.211 -3.378 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.475 -8.054 -6.094 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.768 -7.765 -6.447 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.598 -9.876 -3.890 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.151 -8.789 -5.209 1.00 0.00 H new ATOM 923 N MET A 58 6.057 -5.751 -3.030 1.00 0.00 N ATOM 924 CA MET A 58 5.864 -4.686 -4.032 1.00 0.00 C ATOM 925 C MET A 58 7.030 -3.676 -4.005 1.00 0.00 C ATOM 926 O MET A 58 7.367 -3.094 -5.034 1.00 0.00 O ATOM 927 CB MET A 58 4.517 -3.940 -3.803 1.00 0.00 C ATOM 928 CG MET A 58 3.261 -4.803 -3.930 1.00 0.00 C ATOM 929 SD MET A 58 1.737 -3.825 -3.931 1.00 0.00 S ATOM 930 CE MET A 58 1.741 -3.057 -2.314 1.00 0.00 C ATOM 0 H MET A 58 5.349 -5.752 -2.296 1.00 0.00 H new ATOM 0 HA MET A 58 5.839 -5.164 -5.011 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.532 -3.494 -2.808 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.448 -3.121 -4.519 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.316 -5.383 -4.851 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.230 -5.515 -3.106 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.804 -2.521 -2.163 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.848 -3.824 -1.547 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.574 -2.357 -2.246 1.00 0.00 H new ATOM 940 N LYS A 59 7.629 -3.475 -2.816 1.00 0.00 N ATOM 941 CA LYS A 59 8.758 -2.550 -2.603 1.00 0.00 C ATOM 942 C LYS A 59 10.016 -3.039 -3.338 1.00 0.00 C ATOM 943 O LYS A 59 10.803 -2.221 -3.839 1.00 0.00 O ATOM 944 CB LYS A 59 9.022 -2.414 -1.076 1.00 0.00 C ATOM 945 CG LYS A 59 9.937 -1.247 -0.669 1.00 0.00 C ATOM 946 CD LYS A 59 10.285 -1.262 0.838 1.00 0.00 C ATOM 947 CE LYS A 59 11.047 -0.003 1.279 1.00 0.00 C ATOM 948 NZ LYS A 59 12.336 0.165 0.562 1.00 0.00 N ATOM 0 H LYS A 59 7.338 -3.957 -1.965 1.00 0.00 H new ATOM 0 HA LYS A 59 8.504 -1.572 -3.012 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.065 -2.298 -0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.464 -3.343 -0.716 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.857 -1.292 -1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.449 -0.304 -0.916 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.367 -1.349 1.419 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.887 -2.143 1.060 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.423 0.874 1.107 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.236 -0.054 2.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.809 1.028 0.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.945 -0.657 0.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.157 0.242 -0.460 1.00 0.00 H new ATOM 962 N LYS A 60 10.192 -4.381 -3.391 1.00 0.00 N ATOM 963 CA LYS A 60 11.231 -5.036 -4.215 1.00 0.00 C ATOM 964 C LYS A 60 11.083 -4.657 -5.699 1.00 0.00 C ATOM 965 O LYS A 60 12.072 -4.478 -6.412 1.00 0.00 O ATOM 966 CB LYS A 60 11.142 -6.579 -4.074 1.00 0.00 C ATOM 967 CG LYS A 60 11.251 -7.114 -2.635 1.00 0.00 C ATOM 968 CD LYS A 60 12.549 -6.684 -1.925 1.00 0.00 C ATOM 969 CE LYS A 60 12.657 -7.227 -0.492 1.00 0.00 C ATOM 970 NZ LYS A 60 13.843 -6.664 0.210 1.00 0.00 N ATOM 0 H LYS A 60 9.617 -5.038 -2.863 1.00 0.00 H new ATOM 0 HA LYS A 60 12.201 -4.690 -3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.194 -6.912 -4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.934 -7.029 -4.673 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.395 -6.763 -2.058 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.198 -8.203 -2.654 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.405 -7.030 -2.504 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.600 -5.595 -1.900 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.752 -6.980 0.062 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.728 -8.314 -0.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.890 -7.049 1.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.707 -6.921 -0.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.761 -5.628 0.254 1.00 0.00 H new ATOM 984 N GLU A 61 9.819 -4.533 -6.130 1.00 0.00 N ATOM 985 CA GLU A 61 9.443 -4.207 -7.514 1.00 0.00 C ATOM 986 C GLU A 61 9.314 -2.676 -7.713 1.00 0.00 C ATOM 987 O GLU A 61 8.899 -2.235 -8.781 1.00 0.00 O ATOM 988 CB GLU A 61 8.099 -4.913 -7.835 1.00 0.00 C ATOM 989 CG GLU A 61 8.092 -6.416 -7.507 1.00 0.00 C ATOM 990 CD GLU A 61 6.730 -7.054 -7.745 1.00 0.00 C ATOM 991 OE1 GLU A 61 5.905 -7.051 -6.811 1.00 0.00 O ATOM 992 OE2 GLU A 61 6.461 -7.540 -8.866 1.00 0.00 O ATOM 0 H GLU A 61 9.015 -4.659 -5.515 1.00 0.00 H new ATOM 0 HA GLU A 61 10.221 -4.556 -8.193 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.301 -4.425 -7.276 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.874 -4.781 -8.893 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.839 -6.922 -8.118 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.381 -6.560 -6.466 1.00 0.00 H new ATOM 999 N LEU A 62 9.661 -1.893 -6.656 1.00 0.00 N ATOM 1000 CA LEU A 62 9.630 -0.397 -6.636 1.00 0.00 C ATOM 1001 C LEU A 62 8.205 0.179 -6.867 1.00 0.00 C ATOM 1002 O LEU A 62 8.055 1.350 -7.235 1.00 0.00 O ATOM 1003 CB LEU A 62 10.663 0.235 -7.645 1.00 0.00 C ATOM 1004 CG LEU A 62 12.196 0.029 -7.345 1.00 0.00 C ATOM 1005 CD1 LEU A 62 12.547 0.391 -5.882 1.00 0.00 C ATOM 1006 CD2 LEU A 62 12.666 -1.397 -7.714 1.00 0.00 C ATOM 0 H LEU A 62 9.978 -2.290 -5.771 1.00 0.00 H new ATOM 0 HA LEU A 62 9.932 -0.110 -5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.457 -0.171 -8.635 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.472 1.307 -7.694 1.00 0.00 H new ATOM 0 HG LEU A 62 12.744 0.720 -7.985 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.613 0.236 -5.714 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.299 1.436 -5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.977 -0.243 -5.203 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.728 -1.499 -7.492 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.103 -2.127 -7.133 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.499 -1.572 -8.777 1.00 0.00 H new ATOM 1018 N LYS A 63 7.170 -0.651 -6.631 1.00 0.00 N ATOM 1019 CA LYS A 63 5.751 -0.242 -6.727 1.00 0.00 C ATOM 1020 C LYS A 63 5.382 0.699 -5.578 1.00 0.00 C ATOM 1021 O LYS A 63 4.630 1.665 -5.760 1.00 0.00 O ATOM 1022 CB LYS A 63 4.842 -1.495 -6.699 1.00 0.00 C ATOM 1023 CG LYS A 63 5.045 -2.455 -7.886 1.00 0.00 C ATOM 1024 CD LYS A 63 4.225 -3.755 -7.729 1.00 0.00 C ATOM 1025 CE LYS A 63 4.384 -4.676 -8.940 1.00 0.00 C ATOM 1026 NZ LYS A 63 3.775 -6.010 -8.717 1.00 0.00 N ATOM 0 H LYS A 63 7.293 -1.629 -6.367 1.00 0.00 H new ATOM 0 HA LYS A 63 5.604 0.289 -7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.023 -2.039 -5.772 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.801 -1.173 -6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.756 -1.954 -8.810 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.103 -2.703 -7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.544 -4.280 -6.829 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.172 -3.507 -7.597 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.923 -4.210 -9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.444 -4.796 -9.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.513 -6.741 -8.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.327 -6.035 -7.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.057 -6.190 -9.448 1.00 0.00 H new ATOM 1040 N VAL A 64 5.920 0.397 -4.386 1.00 0.00 N ATOM 1041 CA VAL A 64 5.770 1.234 -3.185 1.00 0.00 C ATOM 1042 C VAL A 64 7.163 1.579 -2.626 1.00 0.00 C ATOM 1043 O VAL A 64 8.145 0.849 -2.852 1.00 0.00 O ATOM 1044 CB VAL A 64 4.896 0.554 -2.062 1.00 0.00 C ATOM 1045 CG1 VAL A 64 3.436 0.361 -2.509 1.00 0.00 C ATOM 1046 CG2 VAL A 64 5.504 -0.782 -1.614 1.00 0.00 C ATOM 0 H VAL A 64 6.477 -0.443 -4.227 1.00 0.00 H new ATOM 0 HA VAL A 64 5.243 2.139 -3.487 1.00 0.00 H new ATOM 0 HB VAL A 64 4.894 1.232 -1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.869 -0.110 -1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.996 1.330 -2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.408 -0.274 -3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.878 -1.225 -0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.561 -1.460 -2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.505 -0.612 -1.218 1.00 0.00 H new ATOM 1056 N SER A 65 7.237 2.704 -1.917 1.00 0.00 N ATOM 1057 CA SER A 65 8.455 3.199 -1.278 1.00 0.00 C ATOM 1058 C SER A 65 8.093 3.745 0.106 1.00 0.00 C ATOM 1059 O SER A 65 7.027 4.341 0.274 1.00 0.00 O ATOM 1060 CB SER A 65 9.099 4.294 -2.165 1.00 0.00 C ATOM 1061 OG SER A 65 9.454 3.776 -3.445 1.00 0.00 O ATOM 0 H SER A 65 6.432 3.312 -1.767 1.00 0.00 H new ATOM 0 HA SER A 65 9.181 2.394 -1.161 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.403 5.124 -2.286 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.986 4.691 -1.671 1.00 0.00 H new ATOM 0 HG SER A 65 9.857 4.487 -3.986 1.00 0.00 H new ATOM 1067 N LEU A 66 8.978 3.558 1.086 1.00 0.00 N ATOM 1068 CA LEU A 66 8.701 3.906 2.486 1.00 0.00 C ATOM 1069 C LEU A 66 9.333 5.284 2.772 1.00 0.00 C ATOM 1070 O LEU A 66 10.556 5.404 2.874 1.00 0.00 O ATOM 1071 CB LEU A 66 9.272 2.807 3.422 1.00 0.00 C ATOM 1072 CG LEU A 66 8.923 2.930 4.944 1.00 0.00 C ATOM 1073 CD1 LEU A 66 7.411 2.740 5.204 1.00 0.00 C ATOM 1074 CD2 LEU A 66 9.765 1.942 5.776 1.00 0.00 C ATOM 0 H LEU A 66 9.906 3.162 0.935 1.00 0.00 H new ATOM 0 HA LEU A 66 7.628 3.963 2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.916 1.840 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.357 2.804 3.321 1.00 0.00 H new ATOM 0 HG LEU A 66 9.174 3.942 5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.211 2.833 6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.850 3.502 4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.104 1.752 4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.508 2.043 6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.559 0.923 5.448 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.824 2.161 5.638 1.00 0.00 H new ATOM 1086 N THR A 67 8.485 6.316 2.853 1.00 0.00 N ATOM 1087 CA THR A 67 8.917 7.726 2.985 1.00 0.00 C ATOM 1088 C THR A 67 9.129 8.118 4.460 1.00 0.00 C ATOM 1089 O THR A 67 10.057 8.868 4.791 1.00 0.00 O ATOM 1090 CB THR A 67 7.862 8.674 2.324 1.00 0.00 C ATOM 1091 OG1 THR A 67 6.541 8.331 2.791 1.00 0.00 O ATOM 1092 CG2 THR A 67 7.885 8.592 0.788 1.00 0.00 C ATOM 0 H THR A 67 7.472 6.203 2.829 1.00 0.00 H new ATOM 0 HA THR A 67 9.872 7.832 2.471 1.00 0.00 H new ATOM 0 HB THR A 67 8.120 9.694 2.611 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.083 9.140 3.101 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.135 9.268 0.376 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.871 8.878 0.423 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.665 7.572 0.475 1.00 0.00 H new ATOM 1100 N SER A 68 8.268 7.585 5.334 1.00 0.00 N ATOM 1101 CA SER A 68 8.293 7.843 6.788 1.00 0.00 C ATOM 1102 C SER A 68 8.061 6.491 7.511 1.00 0.00 C ATOM 1103 O SER A 68 7.619 5.555 6.841 1.00 0.00 O ATOM 1104 CB SER A 68 7.199 8.885 7.141 1.00 0.00 C ATOM 1105 OG SER A 68 7.349 10.079 6.390 1.00 0.00 O ATOM 0 H SER A 68 7.520 6.951 5.052 1.00 0.00 H new ATOM 0 HA SER A 68 9.250 8.255 7.107 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.215 8.457 6.951 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.247 9.116 8.205 1.00 0.00 H new ATOM 0 HG SER A 68 6.642 10.712 6.637 1.00 0.00 H new ATOM 1111 N PRO A 69 8.364 6.356 8.870 1.00 0.00 N ATOM 1112 CA PRO A 69 8.265 5.094 9.673 1.00 0.00 C ATOM 1113 C PRO A 69 7.354 3.976 9.107 1.00 0.00 C ATOM 1114 O PRO A 69 7.849 2.896 8.769 1.00 0.00 O ATOM 1115 CB PRO A 69 7.748 5.635 11.026 1.00 0.00 C ATOM 1116 CG PRO A 69 8.420 6.986 11.179 1.00 0.00 C ATOM 1117 CD PRO A 69 8.865 7.437 9.775 1.00 0.00 C ATOM 0 HA PRO A 69 9.220 4.570 9.702 1.00 0.00 H new ATOM 0 HB2 PRO A 69 6.662 5.730 11.026 1.00 0.00 H new ATOM 0 HB3 PRO A 69 8.010 4.967 11.846 1.00 0.00 H new ATOM 0 HG2 PRO A 69 7.732 7.710 11.615 1.00 0.00 H new ATOM 0 HG3 PRO A 69 9.276 6.916 11.850 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.439 8.406 9.513 1.00 0.00 H new ATOM 0 HD3 PRO A 69 9.949 7.538 9.713 1.00 0.00 H new ATOM 1125 N ALA A 70 6.034 4.241 8.996 1.00 0.00 N ATOM 1126 CA ALA A 70 5.071 3.315 8.355 1.00 0.00 C ATOM 1127 C ALA A 70 4.296 3.991 7.200 1.00 0.00 C ATOM 1128 O ALA A 70 3.324 3.424 6.702 1.00 0.00 O ATOM 1129 CB ALA A 70 4.115 2.748 9.422 1.00 0.00 C ATOM 0 H ALA A 70 5.606 5.098 9.346 1.00 0.00 H new ATOM 0 HA ALA A 70 5.630 2.493 7.907 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.407 2.067 8.951 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.689 2.210 10.176 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.572 3.566 9.895 1.00 0.00 H new ATOM 1135 N THR A 71 4.714 5.198 6.784 1.00 0.00 N ATOM 1136 CA THR A 71 4.098 5.893 5.638 1.00 0.00 C ATOM 1137 C THR A 71 4.739 5.428 4.314 1.00 0.00 C ATOM 1138 O THR A 71 5.962 5.519 4.133 1.00 0.00 O ATOM 1139 CB THR A 71 4.210 7.440 5.758 1.00 0.00 C ATOM 1140 OG1 THR A 71 3.721 7.865 7.038 1.00 0.00 O ATOM 1141 CG2 THR A 71 3.426 8.168 4.641 1.00 0.00 C ATOM 0 H THR A 71 5.476 5.714 7.223 1.00 0.00 H new ATOM 0 HA THR A 71 3.039 5.634 5.643 1.00 0.00 H new ATOM 0 HB THR A 71 5.263 7.700 5.652 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.795 8.840 7.109 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.533 9.246 4.765 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.820 7.874 3.668 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.372 7.898 4.702 1.00 0.00 H new ATOM 1149 N TRP A 72 3.884 4.999 3.377 1.00 0.00 N ATOM 1150 CA TRP A 72 4.283 4.470 2.061 1.00 0.00 C ATOM 1151 C TRP A 72 3.929 5.492 0.972 1.00 0.00 C ATOM 1152 O TRP A 72 3.181 6.431 1.219 1.00 0.00 O ATOM 1153 CB TRP A 72 3.573 3.113 1.801 1.00 0.00 C ATOM 1154 CG TRP A 72 3.981 2.040 2.778 1.00 0.00 C ATOM 1155 CD1 TRP A 72 3.411 1.748 3.990 1.00 0.00 C ATOM 1156 CD2 TRP A 72 5.077 1.129 2.626 1.00 0.00 C ATOM 1157 NE1 TRP A 72 4.085 0.715 4.591 1.00 0.00 N ATOM 1158 CE2 TRP A 72 5.108 0.315 3.772 1.00 0.00 C ATOM 1159 CE3 TRP A 72 6.031 0.929 1.632 1.00 0.00 C ATOM 1160 CZ2 TRP A 72 6.052 -0.691 3.939 1.00 0.00 C ATOM 1161 CZ3 TRP A 72 6.966 -0.066 1.799 1.00 0.00 C ATOM 1162 CH2 TRP A 72 6.974 -0.864 2.946 1.00 0.00 C ATOM 0 H TRP A 72 2.873 5.009 3.513 1.00 0.00 H new ATOM 0 HA TRP A 72 5.360 4.300 2.043 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.494 3.257 1.857 1.00 0.00 H new ATOM 0 HB3 TRP A 72 3.798 2.779 0.788 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.556 2.257 4.410 1.00 0.00 H new ATOM 0 HE1 TRP A 72 3.861 0.310 5.500 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.037 1.545 0.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 6.057 -1.313 4.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 7.706 -0.233 1.031 1.00 0.00 H new ATOM 0 HH2 TRP A 72 7.725 -1.634 3.050 1.00 0.00 H new ATOM 1173 N CYS A 73 4.473 5.301 -0.232 1.00 0.00 N ATOM 1174 CA CYS A 73 4.249 6.189 -1.383 1.00 0.00 C ATOM 1175 C CYS A 73 4.350 5.365 -2.658 1.00 0.00 C ATOM 1176 O CYS A 73 4.961 4.294 -2.659 1.00 0.00 O ATOM 1177 CB CYS A 73 5.286 7.333 -1.391 1.00 0.00 C ATOM 1178 SG CYS A 73 5.071 8.537 -2.714 1.00 0.00 S ATOM 0 H CYS A 73 5.090 4.516 -0.441 1.00 0.00 H new ATOM 0 HA CYS A 73 3.258 6.639 -1.315 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.240 7.853 -0.434 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.283 6.900 -1.471 1.00 0.00 H new ATOM 0 HG CYS A 73 5.992 9.450 -2.623 1.00 0.00 H new ATOM 1184 N LEU A 74 3.736 5.852 -3.739 1.00 0.00 N ATOM 1185 CA LEU A 74 3.743 5.153 -5.028 1.00 0.00 C ATOM 1186 C LEU A 74 5.080 5.395 -5.742 1.00 0.00 C ATOM 1187 O LEU A 74 5.386 6.534 -6.120 1.00 0.00 O ATOM 1188 CB LEU A 74 2.557 5.629 -5.904 1.00 0.00 C ATOM 1189 CG LEU A 74 2.286 4.817 -7.203 1.00 0.00 C ATOM 1190 CD1 LEU A 74 1.964 3.337 -6.896 1.00 0.00 C ATOM 1191 CD2 LEU A 74 1.162 5.468 -8.023 1.00 0.00 C ATOM 0 H LEU A 74 3.224 6.734 -3.747 1.00 0.00 H new ATOM 0 HA LEU A 74 3.628 4.083 -4.856 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.653 5.610 -5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.733 6.668 -6.181 1.00 0.00 H new ATOM 0 HG LEU A 74 3.199 4.831 -7.799 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.781 2.803 -7.829 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.807 2.881 -6.377 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.077 3.281 -6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.987 4.885 -8.928 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.249 5.498 -7.429 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.451 6.483 -8.295 1.00 0.00 H new ATOM 1203 N GLY A 75 5.874 4.324 -5.882 1.00 0.00 N ATOM 1204 CA GLY A 75 7.142 4.375 -6.608 1.00 0.00 C ATOM 1205 C GLY A 75 6.945 4.609 -8.105 1.00 0.00 C ATOM 1206 O GLY A 75 7.711 5.354 -8.738 1.00 0.00 O ATOM 0 H GLY A 75 5.654 3.406 -5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.762 5.172 -6.197 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.682 3.441 -6.457 1.00 0.00 H new