USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 637 GLN :FLIP amide:sc= -0.71 X(o=-3,f=-2.7) USER MOD Set 1.2: B 641 GLN : amide:sc= -2.01 X(o=-2.7,f=-3!) USER MOD Set 2.1: A 75 ASN :FLIP amide:sc= -0.601 F(o=-3.6,f=-0.36) USER MOD Set 2.2: B 648 THR OG1 : rot 135:sc= 0.236 USER MOD Set 3.1: A 66 ASN :FLIP amide:sc= -0.0353 F(o=0.53,f=1.3) USER MOD Set 3.2: A 67 THR OG1 : rot 105:sc= 1.32 USER MOD Set 4.1: A 25 MET CE :methyl 170:sc= -2.7! (180deg=-3.42!) USER MOD Set 4.2: B 663 MET CE :methyl -173:sc= -2.57 (180deg=-2.62) USER MOD Single : A 21 LYS NZ :NH3+ -138:sc= 0.0964 (180deg=-0.164) USER MOD Single : A 27 HIS : no HE2:sc= -1.27 X(o=-1.3,f=-1.4) USER MOD Single : A 28 THR OG1 : rot -60:sc= -0.781 USER MOD Single : A 31 GLN : amide:sc= -0.618 X(o=-0.62,f=-0.17) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.174 F(o=-0.82,f=-0.17) USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= -0.0547 (180deg=-0.237) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : B 622 TYR OH : rot 180:sc= 0 USER MOD Single : B 625 THR OG1 : rot 60:sc= 0.888 USER MOD Single : B 627 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 628 SER OG : rot 180:sc= 0 USER MOD Single : B 642 SER OG : rot 180:sc= 0.0473 USER MOD Single : B 645 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 651 THR OG1 : rot 180:sc= 0 USER MOD Single : B 652 TYR OH : rot 180:sc= 0 USER MOD Single : B 653 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : B 656 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 658 GLN :FLIP amide:sc= -2.36 F(o=-3.8!,f=-2.4) USER MOD Single : B 660 ASN : amide:sc= -0.653 K(o=-0.65,f=-2!) USER MOD Single : B 661 GLN : amide:sc= -0.0597 K(o=-0.06,f=-0.66) USER MOD Single : B 670 TYR OH : rot 180:sc= 0 USER MOD Single : B 671 HIS : no HE2:sc= -0.0346 K(o=-0.035,f=-1.1) USER MOD Single : B 673 MET CE :methyl -118:sc= -0.896 (180deg=-5.41!) USER MOD ----------------------------------------------------------------- ATOM 222 N ALA A 17 -6.008 -17.162 6.386 1.00 0.00 N ATOM 223 CA ALA A 17 -5.243 -16.148 7.101 1.00 0.00 C ATOM 224 C ALA A 17 -5.124 -14.869 6.279 1.00 0.00 C ATOM 225 O ALA A 17 -5.174 -13.764 6.821 1.00 0.00 O ATOM 226 CB ALA A 17 -3.862 -16.680 7.455 1.00 0.00 C ATOM 0 HA ALA A 17 -5.775 -15.909 8.022 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.302 -15.912 7.989 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.963 -17.561 8.088 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.330 -16.948 6.542 1.00 0.00 H new ATOM 232 N PHE A 18 -4.965 -15.025 4.969 1.00 0.00 N ATOM 233 CA PHE A 18 -4.836 -13.882 4.073 1.00 0.00 C ATOM 234 C PHE A 18 -5.978 -12.893 4.285 1.00 0.00 C ATOM 235 O PHE A 18 -5.753 -11.699 4.480 1.00 0.00 O ATOM 236 CB PHE A 18 -4.814 -14.349 2.616 1.00 0.00 C ATOM 237 CG PHE A 18 -4.341 -13.296 1.656 1.00 0.00 C ATOM 238 CD1 PHE A 18 -2.987 -13.047 1.492 1.00 0.00 C ATOM 239 CD2 PHE A 18 -5.248 -12.556 0.916 1.00 0.00 C ATOM 240 CE1 PHE A 18 -2.549 -12.079 0.609 1.00 0.00 C ATOM 241 CE2 PHE A 18 -4.816 -11.585 0.032 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.464 -11.347 -0.123 1.00 0.00 C ATOM 0 H PHE A 18 -4.922 -15.932 4.504 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.896 -13.378 4.300 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.167 -15.222 2.533 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.817 -14.666 2.329 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.267 -13.616 2.061 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.306 -12.740 1.031 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.491 -11.894 0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.534 -11.013 -0.537 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.123 -10.591 -0.815 1.00 0.00 H new ATOM 251 N ALA A 19 -7.207 -13.400 4.244 1.00 0.00 N ATOM 252 CA ALA A 19 -8.385 -12.563 4.433 1.00 0.00 C ATOM 253 C ALA A 19 -8.294 -11.772 5.733 1.00 0.00 C ATOM 254 O ALA A 19 -8.786 -10.648 5.822 1.00 0.00 O ATOM 255 CB ALA A 19 -9.645 -13.416 4.419 1.00 0.00 C ATOM 0 H ALA A 19 -7.412 -14.386 4.082 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.431 -11.852 3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.518 -12.778 4.561 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.725 -13.932 3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.597 -14.150 5.224 1.00 0.00 H new ATOM 261 N ALA A 20 -7.661 -12.367 6.739 1.00 0.00 N ATOM 262 CA ALA A 20 -7.504 -11.716 8.034 1.00 0.00 C ATOM 263 C ALA A 20 -6.693 -10.431 7.908 1.00 0.00 C ATOM 264 O ALA A 20 -7.036 -9.407 8.498 1.00 0.00 O ATOM 265 CB ALA A 20 -6.845 -12.665 9.025 1.00 0.00 C ATOM 0 H ALA A 20 -7.249 -13.298 6.682 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.495 -11.453 8.404 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.734 -12.166 9.988 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.465 -13.553 9.146 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.863 -12.956 8.652 1.00 0.00 H new ATOM 271 N LYS A 21 -5.612 -10.493 7.137 1.00 0.00 N ATOM 272 CA LYS A 21 -4.750 -9.335 6.933 1.00 0.00 C ATOM 273 C LYS A 21 -5.404 -8.329 5.990 1.00 0.00 C ATOM 274 O LYS A 21 -5.227 -7.121 6.137 1.00 0.00 O ATOM 275 CB LYS A 21 -3.396 -9.773 6.369 1.00 0.00 C ATOM 276 CG LYS A 21 -2.705 -10.836 7.206 1.00 0.00 C ATOM 277 CD LYS A 21 -1.323 -10.387 7.647 1.00 0.00 C ATOM 278 CE LYS A 21 -1.400 -9.410 8.811 1.00 0.00 C ATOM 279 NZ LYS A 21 -0.537 -9.835 9.949 1.00 0.00 N ATOM 0 H LYS A 21 -5.312 -11.334 6.643 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.596 -8.854 7.899 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.539 -10.154 5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.745 -8.902 6.292 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.312 -11.062 8.083 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.622 -11.757 6.630 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.733 -11.256 7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.807 -9.917 6.810 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.095 -8.419 8.474 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.433 -9.328 9.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.045 -9.687 10.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.300 -10.843 9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.338 -9.272 9.951 1.00 0.00 H new ATOM 289 N ALA A 22 -6.160 -8.838 5.023 1.00 0.00 N ATOM 290 CA ALA A 22 -6.843 -7.984 4.059 1.00 0.00 C ATOM 291 C ALA A 22 -7.704 -6.939 4.763 1.00 0.00 C ATOM 292 O ALA A 22 -7.636 -5.752 4.448 1.00 0.00 O ATOM 293 CB ALA A 22 -7.695 -8.825 3.119 1.00 0.00 C ATOM 0 H ALA A 22 -6.315 -9.837 4.886 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.086 -7.460 3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.199 -8.174 2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.059 -9.529 2.582 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.438 -9.375 3.696 1.00 0.00 H new ATOM 299 N GLY A 23 -8.512 -7.391 5.717 1.00 0.00 N ATOM 300 CA GLY A 23 -9.374 -6.481 6.449 1.00 0.00 C ATOM 301 C GLY A 23 -8.592 -5.490 7.287 1.00 0.00 C ATOM 302 O GLY A 23 -9.040 -4.364 7.510 1.00 0.00 O ATOM 0 H GLY A 23 -8.585 -8.369 5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.005 -5.939 5.745 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.038 -7.055 7.096 1.00 0.00 H new ATOM 306 N LEU A 24 -7.420 -5.906 7.754 1.00 0.00 N ATOM 307 CA LEU A 24 -6.574 -5.047 8.575 1.00 0.00 C ATOM 308 C LEU A 24 -6.001 -3.900 7.750 1.00 0.00 C ATOM 309 O LEU A 24 -5.774 -2.805 8.265 1.00 0.00 O ATOM 310 CB LEU A 24 -5.437 -5.861 9.197 1.00 0.00 C ATOM 311 CG LEU A 24 -5.547 -6.126 10.698 1.00 0.00 C ATOM 312 CD1 LEU A 24 -5.469 -4.823 11.479 1.00 0.00 C ATOM 313 CD2 LEU A 24 -6.838 -6.866 11.017 1.00 0.00 C ATOM 0 H LEU A 24 -7.034 -6.833 7.578 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.189 -4.627 9.371 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.379 -6.820 8.682 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.498 -5.340 9.008 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.709 -6.755 10.998 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.549 -5.033 12.546 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.516 -4.334 11.276 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.285 -4.168 11.176 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.899 -7.046 12.090 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.690 -6.264 10.701 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.851 -7.819 10.488 1.00 0.00 H new ATOM 324 N MET A 25 -5.769 -4.157 6.467 1.00 0.00 N ATOM 325 CA MET A 25 -5.226 -3.145 5.570 1.00 0.00 C ATOM 326 C MET A 25 -6.200 -1.983 5.407 1.00 0.00 C ATOM 327 O MET A 25 -5.868 -0.835 5.705 1.00 0.00 O ATOM 328 CB MET A 25 -4.912 -3.758 4.204 1.00 0.00 C ATOM 329 CG MET A 25 -4.550 -2.729 3.145 1.00 0.00 C ATOM 330 SD MET A 25 -3.133 -1.719 3.616 1.00 0.00 S ATOM 331 CE MET A 25 -1.925 -2.984 3.998 1.00 0.00 C ATOM 0 H MET A 25 -5.949 -5.059 6.025 1.00 0.00 H new ATOM 0 HA MET A 25 -4.304 -2.764 6.009 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.087 -4.462 4.312 1.00 0.00 H new ATOM 0 HB3 MET A 25 -5.776 -4.329 3.864 1.00 0.00 H new ATOM 0 HG2 MET A 25 -4.332 -3.240 2.207 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.408 -2.082 2.964 1.00 0.00 H new ATOM 0 HE1 MET A 25 -0.946 -2.524 4.133 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.214 -3.498 4.915 1.00 0.00 H new ATOM 0 HE3 MET A 25 -1.878 -3.702 3.179 1.00 0.00 H new ATOM 339 N ARG A 26 -7.404 -2.288 4.934 1.00 0.00 N ATOM 340 CA ARG A 26 -8.426 -1.269 4.730 1.00 0.00 C ATOM 341 C ARG A 26 -8.639 -0.451 6.001 1.00 0.00 C ATOM 342 O ARG A 26 -9.009 0.722 5.943 1.00 0.00 O ATOM 343 CB ARG A 26 -9.745 -1.915 4.301 1.00 0.00 C ATOM 344 CG ARG A 26 -10.022 -1.801 2.811 1.00 0.00 C ATOM 345 CD ARG A 26 -10.602 -3.091 2.252 1.00 0.00 C ATOM 346 NE ARG A 26 -12.062 -3.069 2.226 1.00 0.00 N ATOM 347 CZ ARG A 26 -12.771 -2.440 1.296 1.00 0.00 C ATOM 348 NH1 ARG A 26 -12.157 -1.786 0.319 1.00 0.00 N ATOM 349 NH2 ARG A 26 -14.097 -2.465 1.340 1.00 0.00 N ATOM 0 H ARG A 26 -7.695 -3.233 4.685 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.083 -0.601 3.940 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.732 -2.969 4.580 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.563 -1.450 4.851 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.716 -0.980 2.631 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.098 -1.558 2.286 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.224 -3.251 1.242 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.263 -3.933 2.856 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.565 -3.564 2.963 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.138 -1.765 0.281 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.704 -1.304 -0.394 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.573 -2.968 2.089 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.640 -1.981 0.625 1.00 0.00 H new ATOM 360 N HIS A 27 -8.403 -1.079 7.149 1.00 0.00 N ATOM 361 CA HIS A 27 -8.568 -0.409 8.434 1.00 0.00 C ATOM 362 C HIS A 27 -7.566 0.731 8.586 1.00 0.00 C ATOM 363 O HIS A 27 -7.885 1.782 9.144 1.00 0.00 O ATOM 364 CB HIS A 27 -8.398 -1.408 9.579 1.00 0.00 C ATOM 365 CG HIS A 27 -8.631 -0.813 10.934 1.00 0.00 C ATOM 366 ND1 HIS A 27 -9.297 0.379 11.128 1.00 0.00 N ATOM 367 CD2 HIS A 27 -8.283 -1.253 12.165 1.00 0.00 C ATOM 368 CE1 HIS A 27 -9.347 0.648 12.420 1.00 0.00 C ATOM 369 NE2 HIS A 27 -8.739 -0.328 13.072 1.00 0.00 N ATOM 0 H HIS A 27 -8.097 -2.050 7.215 1.00 0.00 H new ATOM 0 HA HIS A 27 -9.574 0.008 8.471 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.090 -2.238 9.432 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.391 -1.822 9.542 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -9.690 0.962 10.389 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.746 -2.162 12.392 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.806 1.517 12.867 1.00 0.00 H new ATOM 376 N THR A 28 -6.353 0.518 8.086 1.00 0.00 N ATOM 377 CA THR A 28 -5.305 1.526 8.167 1.00 0.00 C ATOM 378 C THR A 28 -5.663 2.759 7.345 1.00 0.00 C ATOM 379 O THR A 28 -5.445 3.891 7.780 1.00 0.00 O ATOM 380 CB THR A 28 -3.953 0.973 7.678 1.00 0.00 C ATOM 381 OG1 THR A 28 -3.870 -0.430 7.955 1.00 0.00 O ATOM 382 CG2 THR A 28 -2.796 1.696 8.351 1.00 0.00 C ATOM 0 H THR A 28 -6.073 -0.345 7.620 1.00 0.00 H new ATOM 0 HA THR A 28 -5.217 1.805 9.217 1.00 0.00 H new ATOM 0 HB THR A 28 -3.886 1.137 6.602 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.947 -0.578 8.921 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.852 1.288 7.989 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.845 2.759 8.116 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.860 1.560 9.431 1.00 0.00 H new ATOM 390 N ILE A 29 -6.212 2.534 6.157 1.00 0.00 N ATOM 391 CA ILE A 29 -6.602 3.627 5.276 1.00 0.00 C ATOM 392 C ILE A 29 -7.852 4.330 5.792 1.00 0.00 C ATOM 393 O ILE A 29 -7.901 5.557 5.866 1.00 0.00 O ATOM 394 CB ILE A 29 -6.861 3.130 3.842 1.00 0.00 C ATOM 395 CG1 ILE A 29 -5.582 2.540 3.243 1.00 0.00 C ATOM 396 CG2 ILE A 29 -7.384 4.265 2.974 1.00 0.00 C ATOM 397 CD1 ILE A 29 -5.368 1.084 3.590 1.00 0.00 C ATOM 0 H ILE A 29 -6.397 1.604 5.782 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.771 4.332 5.262 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.618 2.346 3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.616 2.645 2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.727 3.118 3.593 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.562 3.898 1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.317 4.643 3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.648 5.069 2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.443 0.733 3.132 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.301 0.974 4.672 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.205 0.494 3.216 1.00 0.00 H new ATOM 408 N GLY A 30 -8.863 3.543 6.150 1.00 0.00 N ATOM 409 CA GLY A 30 -10.100 4.108 6.657 1.00 0.00 C ATOM 410 C GLY A 30 -9.872 5.050 7.822 1.00 0.00 C ATOM 411 O GLY A 30 -10.415 6.154 7.850 1.00 0.00 O ATOM 0 H GLY A 30 -8.847 2.524 6.098 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.607 4.644 5.854 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.763 3.301 6.970 1.00 0.00 H new ATOM 415 N GLN A 31 -9.068 4.613 8.786 1.00 0.00 N ATOM 416 CA GLN A 31 -8.773 5.425 9.960 1.00 0.00 C ATOM 417 C GLN A 31 -7.838 6.577 9.605 1.00 0.00 C ATOM 418 O GLN A 31 -7.956 7.675 10.148 1.00 0.00 O ATOM 419 CB GLN A 31 -8.145 4.564 11.058 1.00 0.00 C ATOM 420 CG GLN A 31 -9.166 3.896 11.965 1.00 0.00 C ATOM 421 CD GLN A 31 -9.857 4.878 12.889 1.00 0.00 C ATOM 422 OE1 GLN A 31 -9.400 5.123 14.007 1.00 0.00 O ATOM 423 NE2 GLN A 31 -10.964 5.447 12.428 1.00 0.00 N ATOM 0 H GLN A 31 -8.610 3.702 8.777 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.711 5.842 10.326 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.524 3.796 10.596 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.485 5.186 11.663 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.914 3.391 11.354 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.670 3.130 12.561 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.307 5.215 11.496 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.472 6.117 13.006 1.00 0.00 H new ATOM 430 N ALA A 32 -6.911 6.318 8.689 1.00 0.00 N ATOM 431 CA ALA A 32 -5.958 7.334 8.260 1.00 0.00 C ATOM 432 C ALA A 32 -6.655 8.455 7.498 1.00 0.00 C ATOM 433 O ALA A 32 -6.197 9.597 7.498 1.00 0.00 O ATOM 434 CB ALA A 32 -4.869 6.706 7.401 1.00 0.00 C ATOM 0 H ALA A 32 -6.800 5.414 8.230 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.500 7.766 9.150 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.164 7.476 7.087 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.343 5.946 7.979 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.319 6.246 6.521 1.00 0.00 H new ATOM 440 N GLU A 33 -7.766 8.121 6.848 1.00 0.00 N ATOM 441 CA GLU A 33 -8.525 9.101 6.080 1.00 0.00 C ATOM 442 C GLU A 33 -9.032 10.223 6.981 1.00 0.00 C ATOM 443 O GLU A 33 -9.147 11.371 6.553 1.00 0.00 O ATOM 444 CB GLU A 33 -9.704 8.426 5.375 1.00 0.00 C ATOM 445 CG GLU A 33 -10.120 9.118 4.087 1.00 0.00 C ATOM 446 CD GLU A 33 -9.791 8.300 2.854 1.00 0.00 C ATOM 447 OE1 GLU A 33 -8.634 8.369 2.387 1.00 0.00 O ATOM 448 OE2 GLU A 33 -10.690 7.591 2.355 1.00 0.00 O ATOM 0 H GLU A 33 -8.160 7.180 6.838 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.861 9.532 5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.440 7.392 5.153 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.556 8.399 6.055 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.192 9.313 4.114 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.621 10.085 4.021 1.00 0.00 H new ATOM 658 N PHE A 51 -2.895 20.814 -0.231 1.00 0.00 N ATOM 659 CA PHE A 51 -3.381 19.634 0.474 1.00 0.00 C ATOM 660 C PHE A 51 -4.172 18.727 -0.464 1.00 0.00 C ATOM 661 O PHE A 51 -4.092 17.503 -0.373 1.00 0.00 O ATOM 662 CB PHE A 51 -4.254 20.046 1.661 1.00 0.00 C ATOM 663 CG PHE A 51 -4.324 19.007 2.743 1.00 0.00 C ATOM 664 CD1 PHE A 51 -4.935 17.785 2.512 1.00 0.00 C ATOM 665 CD2 PHE A 51 -3.777 19.252 3.992 1.00 0.00 C ATOM 666 CE1 PHE A 51 -5.001 16.829 3.507 1.00 0.00 C ATOM 667 CE2 PHE A 51 -3.839 18.299 4.992 1.00 0.00 C ATOM 668 CZ PHE A 51 -4.451 17.085 4.748 1.00 0.00 C ATOM 0 HA PHE A 51 -2.517 19.081 0.843 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.865 20.973 2.083 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.262 20.256 1.304 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.365 17.578 1.543 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.296 20.199 4.187 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.483 15.882 3.315 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.410 18.503 5.962 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.499 16.337 5.526 1.00 0.00 H new ATOM 677 N GLN A 52 -4.936 19.339 -1.363 1.00 0.00 N ATOM 678 CA GLN A 52 -5.743 18.587 -2.318 1.00 0.00 C ATOM 679 C GLN A 52 -4.877 17.625 -3.124 1.00 0.00 C ATOM 680 O GLN A 52 -5.149 16.425 -3.178 1.00 0.00 O ATOM 681 CB GLN A 52 -6.478 19.541 -3.260 1.00 0.00 C ATOM 682 CG GLN A 52 -7.353 18.834 -4.282 1.00 0.00 C ATOM 683 CD GLN A 52 -8.807 18.770 -3.860 1.00 0.00 C ATOM 684 OE1 GLN A 52 -9.455 19.799 -3.666 1.00 0.00 O ATOM 685 NE2 GLN A 52 -9.329 17.558 -3.713 1.00 0.00 N ATOM 0 H GLN A 52 -5.013 20.352 -1.450 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.475 18.006 -1.758 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.097 20.216 -2.669 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.746 20.156 -3.784 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.279 19.352 -5.238 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.979 17.822 -4.437 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.756 16.732 -3.884 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.303 17.453 -3.429 1.00 0.00 H new ATOM 692 N ALA A 53 -3.832 18.157 -3.749 1.00 0.00 N ATOM 693 CA ALA A 53 -2.925 17.346 -4.551 1.00 0.00 C ATOM 694 C ALA A 53 -2.434 16.135 -3.766 1.00 0.00 C ATOM 695 O ALA A 53 -2.167 15.079 -4.338 1.00 0.00 O ATOM 696 CB ALA A 53 -1.747 18.183 -5.026 1.00 0.00 C ATOM 0 H ALA A 53 -3.592 19.148 -3.715 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.473 16.985 -5.421 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.078 17.564 -5.624 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.111 19.013 -5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.206 18.573 -4.164 1.00 0.00 H new ATOM 702 N ALA A 54 -2.315 16.295 -2.452 1.00 0.00 N ATOM 703 CA ALA A 54 -1.855 15.214 -1.588 1.00 0.00 C ATOM 704 C ALA A 54 -2.972 14.211 -1.325 1.00 0.00 C ATOM 705 O ALA A 54 -2.733 13.006 -1.246 1.00 0.00 O ATOM 706 CB ALA A 54 -1.327 15.776 -0.277 1.00 0.00 C ATOM 0 H ALA A 54 -2.531 17.163 -1.962 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.046 14.692 -2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.987 14.958 0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.494 16.449 -0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.121 16.324 0.230 1.00 0.00 H new ATOM 712 N HIS A 55 -4.195 14.714 -1.188 1.00 0.00 N ATOM 713 CA HIS A 55 -5.350 13.861 -0.933 1.00 0.00 C ATOM 714 C HIS A 55 -5.633 12.957 -2.129 1.00 0.00 C ATOM 715 O HIS A 55 -6.047 11.809 -1.967 1.00 0.00 O ATOM 716 CB HIS A 55 -6.582 14.713 -0.621 1.00 0.00 C ATOM 717 CG HIS A 55 -7.829 13.910 -0.417 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.597 13.229 -1.299 1.00 0.00 N flip ATOM 719 CD2 HIS A 55 -8.421 13.741 0.817 1.00 0.00 C flip ATOM 720 CE1 HIS A 55 -9.630 12.665 -0.589 1.00 0.00 C flip ATOM 721 NE2 HIS A 55 -9.500 12.989 0.685 1.00 0.00 N flip ATOM 0 H HIS A 55 -4.412 15.709 -1.249 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.123 13.234 -0.071 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.389 15.302 0.275 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.743 15.417 -1.437 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.060 14.158 1.746 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.419 12.056 -1.005 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.126 12.707 1.439 1.00 0.00 H new ATOM 728 N ALA A 56 -5.405 13.482 -3.328 1.00 0.00 N ATOM 729 CA ALA A 56 -5.634 12.722 -4.550 1.00 0.00 C ATOM 730 C ALA A 56 -4.574 11.640 -4.731 1.00 0.00 C ATOM 731 O ALA A 56 -4.844 10.582 -5.301 1.00 0.00 O ATOM 732 CB ALA A 56 -5.651 13.651 -5.755 1.00 0.00 C ATOM 0 H ALA A 56 -5.062 14.431 -3.479 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.605 12.234 -4.467 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.823 13.069 -6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.449 14.384 -5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.693 14.166 -5.831 1.00 0.00 H new ATOM 738 N ARG A 57 -3.369 11.911 -4.241 1.00 0.00 N ATOM 739 CA ARG A 57 -2.268 10.962 -4.350 1.00 0.00 C ATOM 740 C ARG A 57 -2.576 9.682 -3.579 1.00 0.00 C ATOM 741 O ARG A 57 -2.305 8.578 -4.053 1.00 0.00 O ATOM 742 CB ARG A 57 -0.974 11.587 -3.826 1.00 0.00 C ATOM 743 CG ARG A 57 -0.217 12.387 -4.873 1.00 0.00 C ATOM 744 CD ARG A 57 1.225 12.629 -4.454 1.00 0.00 C ATOM 745 NE ARG A 57 2.146 12.541 -5.585 1.00 0.00 N ATOM 746 CZ ARG A 57 2.178 13.424 -6.577 1.00 0.00 C ATOM 747 NH1 ARG A 57 1.347 14.457 -6.577 1.00 0.00 N ATOM 748 NH2 ARG A 57 3.045 13.276 -7.570 1.00 0.00 N ATOM 0 H ARG A 57 -3.130 12.781 -3.764 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.141 10.710 -5.403 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.210 12.238 -2.984 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.326 10.797 -3.446 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.236 11.854 -5.824 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.716 13.343 -5.033 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.309 13.614 -3.994 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.510 11.899 -3.697 1.00 0.00 H new ATOM 0 HE ARG A 57 2.800 11.759 -5.614 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.681 14.575 -5.814 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.374 15.133 -7.340 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.688 12.484 -7.572 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.069 13.954 -8.331 1.00 0.00 H new ATOM 759 N PHE A 58 -3.143 9.837 -2.386 1.00 0.00 N ATOM 760 CA PHE A 58 -3.488 8.695 -1.549 1.00 0.00 C ATOM 761 C PHE A 58 -4.526 7.811 -2.233 1.00 0.00 C ATOM 762 O PHE A 58 -4.322 6.609 -2.401 1.00 0.00 O ATOM 763 CB PHE A 58 -4.017 9.169 -0.194 1.00 0.00 C ATOM 764 CG PHE A 58 -3.976 8.111 0.870 1.00 0.00 C ATOM 765 CD1 PHE A 58 -4.749 6.966 0.758 1.00 0.00 C ATOM 766 CD2 PHE A 58 -3.165 8.261 1.984 1.00 0.00 C ATOM 767 CE1 PHE A 58 -4.713 5.990 1.736 1.00 0.00 C ATOM 768 CE2 PHE A 58 -3.125 7.287 2.964 1.00 0.00 C ATOM 769 CZ PHE A 58 -3.900 6.152 2.841 1.00 0.00 C ATOM 0 H PHE A 58 -3.373 10.743 -1.978 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.584 8.107 -1.392 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.431 10.027 0.136 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.045 9.512 -0.314 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.387 6.835 -0.104 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.558 9.148 2.087 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.320 5.102 1.636 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.487 7.414 3.826 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.871 5.392 3.607 1.00 0.00 H new ATOM 778 N VAL A 59 -5.643 8.417 -2.625 1.00 0.00 N ATOM 779 CA VAL A 59 -6.715 7.687 -3.291 1.00 0.00 C ATOM 780 C VAL A 59 -6.229 7.067 -4.596 1.00 0.00 C ATOM 781 O VAL A 59 -6.688 5.998 -4.996 1.00 0.00 O ATOM 782 CB VAL A 59 -7.917 8.603 -3.588 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.465 9.861 -4.312 1.00 0.00 C ATOM 784 CG2 VAL A 59 -8.966 7.858 -4.400 1.00 0.00 C ATOM 0 H VAL A 59 -5.829 9.411 -2.493 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.029 6.896 -2.611 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.367 8.901 -2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.328 10.495 -4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.753 10.403 -3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.989 9.588 -5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.808 8.520 -4.601 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.530 7.529 -5.343 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.312 6.990 -3.838 1.00 0.00 H new ATOM 794 N ALA A 60 -5.296 7.746 -5.256 1.00 0.00 N ATOM 795 CA ALA A 60 -4.745 7.260 -6.515 1.00 0.00 C ATOM 796 C ALA A 60 -3.888 6.018 -6.297 1.00 0.00 C ATOM 797 O ALA A 60 -3.858 5.117 -7.135 1.00 0.00 O ATOM 798 CB ALA A 60 -3.933 8.354 -7.193 1.00 0.00 C ATOM 0 H ALA A 60 -4.906 8.634 -4.940 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.576 6.985 -7.165 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.527 7.977 -8.132 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.575 9.212 -7.393 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.115 8.657 -6.540 1.00 0.00 H new ATOM 804 N ALA A 61 -3.190 5.979 -5.166 1.00 0.00 N ATOM 805 CA ALA A 61 -2.332 4.847 -4.837 1.00 0.00 C ATOM 806 C ALA A 61 -3.150 3.677 -4.300 1.00 0.00 C ATOM 807 O ALA A 61 -2.873 2.519 -4.613 1.00 0.00 O ATOM 808 CB ALA A 61 -1.274 5.263 -3.826 1.00 0.00 C ATOM 0 H ALA A 61 -3.202 6.718 -4.463 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.836 4.520 -5.751 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.641 4.408 -3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.663 6.062 -4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.759 5.618 -2.917 1.00 0.00 H new ATOM 814 N ALA A 62 -4.156 3.987 -3.490 1.00 0.00 N ATOM 815 CA ALA A 62 -5.014 2.960 -2.911 1.00 0.00 C ATOM 816 C ALA A 62 -5.554 2.025 -3.987 1.00 0.00 C ATOM 817 O ALA A 62 -5.756 0.836 -3.745 1.00 0.00 O ATOM 818 CB ALA A 62 -6.159 3.602 -2.142 1.00 0.00 C ATOM 0 H ALA A 62 -4.397 4.940 -3.220 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.415 2.367 -2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.792 2.824 -1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.757 4.223 -1.341 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.750 4.220 -2.818 1.00 0.00 H new ATOM 824 N ALA A 63 -5.789 2.570 -5.176 1.00 0.00 N ATOM 825 CA ALA A 63 -6.305 1.785 -6.290 1.00 0.00 C ATOM 826 C ALA A 63 -5.397 0.597 -6.590 1.00 0.00 C ATOM 827 O ALA A 63 -5.862 -0.461 -7.016 1.00 0.00 O ATOM 828 CB ALA A 63 -6.460 2.658 -7.525 1.00 0.00 C ATOM 0 H ALA A 63 -5.630 3.554 -5.392 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.284 1.399 -6.007 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.846 2.058 -8.349 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.154 3.471 -7.311 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.491 3.072 -7.802 1.00 0.00 H new ATOM 834 N LYS A 64 -4.101 0.777 -6.367 1.00 0.00 N ATOM 835 CA LYS A 64 -3.126 -0.280 -6.613 1.00 0.00 C ATOM 836 C LYS A 64 -3.202 -1.352 -5.530 1.00 0.00 C ATOM 837 O LYS A 64 -3.099 -2.545 -5.815 1.00 0.00 O ATOM 838 CB LYS A 64 -1.713 0.304 -6.669 1.00 0.00 C ATOM 839 CG LYS A 64 -0.883 -0.223 -7.827 1.00 0.00 C ATOM 840 CD LYS A 64 -0.765 -1.737 -7.785 1.00 0.00 C ATOM 841 CE LYS A 64 -0.006 -2.271 -8.990 1.00 0.00 C ATOM 842 NZ LYS A 64 1.315 -1.604 -9.153 1.00 0.00 N ATOM 0 H LYS A 64 -3.700 1.646 -6.016 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.360 -0.740 -7.573 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.780 1.389 -6.745 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.199 0.081 -5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.338 0.081 -8.770 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.112 0.221 -7.795 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.255 -2.038 -6.870 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.761 -2.180 -7.755 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.141 -3.345 -8.880 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.602 -2.121 -9.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.884 -2.126 -9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.173 -0.628 -9.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.813 -1.591 -8.240 1.00 0.00 H new ATOM 852 N VAL A 65 -3.384 -0.919 -4.286 1.00 0.00 N ATOM 853 CA VAL A 65 -3.475 -1.842 -3.161 1.00 0.00 C ATOM 854 C VAL A 65 -4.782 -2.626 -3.200 1.00 0.00 C ATOM 855 O VAL A 65 -4.796 -3.839 -2.994 1.00 0.00 O ATOM 856 CB VAL A 65 -3.374 -1.098 -1.816 1.00 0.00 C ATOM 857 CG1 VAL A 65 -3.253 -2.088 -0.667 1.00 0.00 C ATOM 858 CG2 VAL A 65 -2.197 -0.135 -1.827 1.00 0.00 C ATOM 0 H VAL A 65 -3.471 0.065 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.637 -2.534 -3.248 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.286 -0.519 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.183 -1.545 0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.131 -2.734 -0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.358 -2.696 -0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.141 0.382 -0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.274 -0.690 -1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.331 0.595 -2.626 1.00 0.00 H new ATOM 868 N ASN A 66 -5.879 -1.924 -3.463 1.00 0.00 N ATOM 869 CA ASN A 66 -7.193 -2.554 -3.527 1.00 0.00 C ATOM 870 C ASN A 66 -7.266 -3.542 -4.688 1.00 0.00 C ATOM 871 O ASN A 66 -7.682 -4.688 -4.518 1.00 0.00 O ATOM 872 CB ASN A 66 -8.285 -1.493 -3.678 1.00 0.00 C ATOM 873 CG ASN A 66 -9.537 -2.041 -4.335 1.00 0.00 C ATOM 874 OD1 ASN A 66 -9.577 -1.997 -5.661 1.00 0.00 O flip ATOM 875 ND2 ASN A 66 -10.458 -2.497 -3.657 1.00 0.00 N flip ATOM 0 H ASN A 66 -5.884 -0.919 -3.635 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.352 -3.099 -2.597 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.538 -1.094 -2.696 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.901 -0.662 -4.270 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.384 -2.511 -2.640 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.295 -2.861 -4.113 1.00 0.00 H new ATOM 881 N THR A 67 -6.856 -3.090 -5.870 1.00 0.00 N ATOM 882 CA THR A 67 -6.875 -3.933 -7.059 1.00 0.00 C ATOM 883 C THR A 67 -6.016 -5.177 -6.864 1.00 0.00 C ATOM 884 O THR A 67 -6.343 -6.254 -7.365 1.00 0.00 O ATOM 885 CB THR A 67 -6.376 -3.166 -8.299 1.00 0.00 C ATOM 886 OG1 THR A 67 -7.229 -2.046 -8.558 1.00 0.00 O ATOM 887 CG2 THR A 67 -6.338 -4.075 -9.518 1.00 0.00 C ATOM 0 H THR A 67 -6.507 -2.145 -6.029 1.00 0.00 H new ATOM 0 HA THR A 67 -7.911 -4.232 -7.219 1.00 0.00 H new ATOM 0 HB THR A 67 -5.365 -2.812 -8.098 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.781 -1.221 -8.277 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.983 -3.512 -10.381 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.665 -4.911 -9.328 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.340 -4.455 -9.720 1.00 0.00 H new ATOM 895 N LEU A 68 -4.916 -5.022 -6.136 1.00 0.00 N ATOM 896 CA LEU A 68 -4.009 -6.135 -5.873 1.00 0.00 C ATOM 897 C LEU A 68 -4.613 -7.104 -4.862 1.00 0.00 C ATOM 898 O LEU A 68 -4.538 -8.322 -5.033 1.00 0.00 O ATOM 899 CB LEU A 68 -2.667 -5.614 -5.358 1.00 0.00 C ATOM 900 CG LEU A 68 -1.713 -5.053 -6.414 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.542 -4.342 -5.754 1.00 0.00 C ATOM 902 CD2 LEU A 68 -1.218 -6.165 -7.328 1.00 0.00 C ATOM 0 H LEU A 68 -4.630 -4.137 -5.717 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.849 -6.670 -6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.861 -4.834 -4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.161 -6.426 -4.836 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.257 -4.327 -7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.125 -3.950 -6.522 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.914 -3.520 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.003 -5.046 -5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.540 -5.749 -8.073 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.691 -6.914 -6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.067 -6.629 -7.829 1.00 0.00 H new ATOM 913 N LEU A 69 -5.215 -6.557 -3.812 1.00 0.00 N ATOM 914 CA LEU A 69 -5.834 -7.373 -2.774 1.00 0.00 C ATOM 915 C LEU A 69 -6.867 -8.323 -3.373 1.00 0.00 C ATOM 916 O LEU A 69 -6.916 -9.502 -3.024 1.00 0.00 O ATOM 917 CB LEU A 69 -6.495 -6.479 -1.722 1.00 0.00 C ATOM 918 CG LEU A 69 -5.721 -6.295 -0.417 1.00 0.00 C ATOM 919 CD1 LEU A 69 -6.454 -5.335 0.507 1.00 0.00 C ATOM 920 CD2 LEU A 69 -5.503 -7.637 0.268 1.00 0.00 C ATOM 0 H LEU A 69 -5.288 -5.551 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.054 -7.967 -2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.663 -5.497 -2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.475 -6.894 -1.485 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.746 -5.868 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.888 -5.216 1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.557 -4.367 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.443 -5.733 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.950 -7.487 1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.468 -8.093 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.935 -8.294 -0.391 1.00 0.00 H new ATOM 931 N ASP A 70 -7.689 -7.801 -4.277 1.00 0.00 N ATOM 932 CA ASP A 70 -8.719 -8.603 -4.926 1.00 0.00 C ATOM 933 C ASP A 70 -8.094 -9.696 -5.788 1.00 0.00 C ATOM 934 O ASP A 70 -8.543 -10.842 -5.779 1.00 0.00 O ATOM 935 CB ASP A 70 -9.621 -7.715 -5.784 1.00 0.00 C ATOM 936 CG ASP A 70 -10.991 -8.326 -6.008 1.00 0.00 C ATOM 937 OD1 ASP A 70 -11.426 -9.135 -5.162 1.00 0.00 O ATOM 938 OD2 ASP A 70 -11.627 -7.996 -7.030 1.00 0.00 O ATOM 0 H ASP A 70 -7.662 -6.826 -4.577 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.320 -9.076 -4.149 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.734 -6.744 -5.302 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.143 -7.539 -6.748 1.00 0.00 H new ATOM 942 N VAL A 71 -7.054 -9.334 -6.532 1.00 0.00 N ATOM 943 CA VAL A 71 -6.365 -10.284 -7.399 1.00 0.00 C ATOM 944 C VAL A 71 -5.667 -11.366 -6.584 1.00 0.00 C ATOM 945 O VAL A 71 -5.563 -12.513 -7.017 1.00 0.00 O ATOM 946 CB VAL A 71 -5.327 -9.577 -8.292 1.00 0.00 C ATOM 947 CG1 VAL A 71 -4.595 -10.589 -9.161 1.00 0.00 C ATOM 948 CG2 VAL A 71 -5.997 -8.514 -9.148 1.00 0.00 C ATOM 0 H VAL A 71 -6.669 -8.389 -6.552 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.124 -10.744 -8.032 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.595 -9.086 -7.651 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.866 -10.073 -9.785 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.082 -11.311 -8.525 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.312 -11.110 -9.796 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.249 -8.025 -9.772 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.751 -8.980 -9.783 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.472 -7.774 -8.504 1.00 0.00 H new ATOM 958 N ALA A 72 -5.191 -10.994 -5.400 1.00 0.00 N ATOM 959 CA ALA A 72 -4.505 -11.933 -4.523 1.00 0.00 C ATOM 960 C ALA A 72 -5.437 -13.058 -4.087 1.00 0.00 C ATOM 961 O ALA A 72 -5.092 -14.235 -4.189 1.00 0.00 O ATOM 962 CB ALA A 72 -3.945 -11.208 -3.308 1.00 0.00 C ATOM 0 H ALA A 72 -5.268 -10.048 -5.027 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.680 -12.376 -5.080 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.435 -11.922 -2.661 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.239 -10.444 -3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.760 -10.738 -2.758 1.00 0.00 H new ATOM 968 N GLN A 73 -6.618 -12.688 -3.602 1.00 0.00 N ATOM 969 CA GLN A 73 -7.598 -13.668 -3.150 1.00 0.00 C ATOM 970 C GLN A 73 -8.208 -14.414 -4.332 1.00 0.00 C ATOM 971 O GLN A 73 -8.482 -15.611 -4.248 1.00 0.00 O ATOM 972 CB GLN A 73 -8.701 -12.982 -2.341 1.00 0.00 C ATOM 973 CG GLN A 73 -8.178 -12.167 -1.168 1.00 0.00 C ATOM 974 CD GLN A 73 -9.288 -11.499 -0.382 1.00 0.00 C ATOM 975 OE1 GLN A 73 -10.198 -10.900 -0.956 1.00 0.00 O ATOM 976 NE2 GLN A 73 -9.218 -11.598 0.941 1.00 0.00 N ATOM 0 H GLN A 73 -6.919 -11.718 -3.512 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.085 -14.390 -2.514 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.271 -12.329 -3.001 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.391 -13.739 -1.968 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.608 -12.817 -0.504 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.490 -11.406 -1.537 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.446 -12.104 1.374 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.937 -11.168 1.523 1.00 0.00 H new ATOM 983 N ALA A 74 -8.418 -13.698 -5.432 1.00 0.00 N ATOM 984 CA ALA A 74 -8.993 -14.293 -6.631 1.00 0.00 C ATOM 985 C ALA A 74 -8.046 -15.319 -7.245 1.00 0.00 C ATOM 986 O ALA A 74 -8.476 -16.370 -7.716 1.00 0.00 O ATOM 987 CB ALA A 74 -9.332 -13.211 -7.647 1.00 0.00 C ATOM 0 H ALA A 74 -8.198 -12.706 -5.517 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.910 -14.809 -6.346 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.761 -13.670 -8.538 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.053 -12.518 -7.213 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.426 -12.670 -7.918 1.00 0.00 H new ATOM 993 N ASN A 75 -6.754 -15.006 -7.234 1.00 0.00 N ATOM 994 CA ASN A 75 -5.747 -15.900 -7.790 1.00 0.00 C ATOM 995 C ASN A 75 -5.530 -17.108 -6.884 1.00 0.00 C ATOM 996 O ASN A 75 -5.415 -18.240 -7.355 1.00 0.00 O ATOM 997 CB ASN A 75 -4.425 -15.154 -7.988 1.00 0.00 C ATOM 998 CG ASN A 75 -4.372 -14.415 -9.311 1.00 0.00 C ATOM 999 OD1 ASN A 75 -5.372 -13.578 -9.562 1.00 0.00 O flip ATOM 1000 ND2 ASN A 75 -3.440 -14.593 -10.097 1.00 0.00 N flip ATOM 0 H ASN A 75 -6.381 -14.140 -6.846 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.106 -16.253 -8.757 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.286 -14.444 -7.172 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.599 -15.864 -7.938 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -2.693 -15.246 -9.862 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.416 -14.087 -10.982 1.00 0.00 H new ATOM 1006 N LEU A 76 -5.478 -16.860 -5.579 1.00 0.00 N ATOM 1007 CA LEU A 76 -5.277 -17.926 -4.605 1.00 0.00 C ATOM 1008 C LEU A 76 -6.519 -18.802 -4.493 1.00 0.00 C ATOM 1009 O LEU A 76 -6.427 -19.995 -4.202 1.00 0.00 O ATOM 1010 CB LEU A 76 -4.930 -17.335 -3.237 1.00 0.00 C ATOM 1011 CG LEU A 76 -3.576 -16.633 -3.133 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -3.436 -15.940 -1.787 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -2.442 -17.625 -3.344 1.00 0.00 C ATOM 0 H LEU A 76 -5.572 -15.930 -5.172 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.448 -18.546 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.708 -16.622 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.959 -18.137 -2.499 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.520 -15.877 -3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.466 -15.446 -1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.228 -15.199 -1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.514 -16.678 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.486 -17.107 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.495 -18.405 -2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.531 -18.075 -4.333 1.00 0.00 H new ATOM 1024 N GLY A 77 -7.683 -18.203 -4.727 1.00 0.00 N ATOM 1025 CA GLY A 77 -8.928 -18.944 -4.649 1.00 0.00 C ATOM 1026 C GLY A 77 -9.344 -19.233 -3.220 1.00 0.00 C ATOM 1027 O GLY A 77 -10.281 -18.626 -2.704 1.00 0.00 O ATOM 0 H GLY A 77 -7.786 -17.218 -4.969 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.716 -18.378 -5.146 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.822 -19.884 -5.190 1.00 0.00 H new ATOM 1031 N GLU A 78 -8.643 -20.164 -2.578 1.00 0.00 N ATOM 1032 CA GLU A 78 -8.947 -20.533 -1.201 1.00 0.00 C ATOM 1033 C GLU A 78 -9.003 -19.298 -0.307 1.00 0.00 C ATOM 1034 O GLU A 78 -9.735 -19.267 0.682 1.00 0.00 O ATOM 1035 CB GLU A 78 -7.899 -21.514 -0.669 1.00 0.00 C ATOM 1036 CG GLU A 78 -8.474 -22.864 -0.275 1.00 0.00 C ATOM 1037 CD GLU A 78 -7.426 -23.960 -0.249 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -6.322 -23.739 -0.789 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -7.711 -25.038 0.313 1.00 0.00 O ATOM 0 H GLU A 78 -7.862 -20.675 -2.990 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.925 -21.015 -1.188 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.133 -21.663 -1.430 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.406 -21.072 0.197 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.936 -22.785 0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.263 -23.137 -0.976 1.00 0.00 H new ATOM 1044 N ALA A 79 -8.223 -18.283 -0.661 1.00 0.00 N ATOM 1045 CA ALA A 79 -8.184 -17.044 0.107 1.00 0.00 C ATOM 1046 C ALA A 79 -9.573 -16.426 0.223 1.00 0.00 C ATOM 1047 O ALA A 79 -9.943 -15.898 1.271 1.00 0.00 O ATOM 1048 CB ALA A 79 -7.216 -16.058 -0.529 1.00 0.00 C ATOM 0 H ALA A 79 -7.609 -18.294 -1.475 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.835 -17.280 1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.198 -15.138 0.055 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.217 -16.493 -0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.539 -15.836 -1.546 1.00 0.00 H new ATOM 1533 N ALA B 620 2.678 11.457 10.838 1.00 0.00 N ATOM 1534 CA ALA B 620 3.566 10.685 9.977 1.00 0.00 C ATOM 1535 C ALA B 620 3.511 9.201 10.323 1.00 0.00 C ATOM 1536 O ALA B 620 3.647 8.345 9.451 1.00 0.00 O ATOM 1537 CB ALA B 620 4.992 11.203 10.090 1.00 0.00 C ATOM 0 HA ALA B 620 3.229 10.804 8.947 1.00 0.00 H new ATOM 0 HB1 ALA B 620 5.644 10.618 9.442 1.00 0.00 H new ATOM 0 HB2 ALA B 620 5.024 12.250 9.787 1.00 0.00 H new ATOM 0 HB3 ALA B 620 5.331 11.114 11.122 1.00 0.00 H new ATOM 1543 N GLY B 621 3.313 8.903 11.604 1.00 0.00 N ATOM 1544 CA GLY B 621 3.245 7.522 12.042 1.00 0.00 C ATOM 1545 C GLY B 621 2.203 6.724 11.285 1.00 0.00 C ATOM 1546 O GLY B 621 2.363 5.521 11.075 1.00 0.00 O ATOM 0 H GLY B 621 3.199 9.594 12.346 1.00 0.00 H new ATOM 0 HA2 GLY B 621 4.221 7.055 11.912 1.00 0.00 H new ATOM 0 HA3 GLY B 621 3.017 7.493 13.107 1.00 0.00 H new ATOM 1550 N TYR B 622 1.131 7.393 10.876 1.00 0.00 N ATOM 1551 CA TYR B 622 0.056 6.737 10.141 1.00 0.00 C ATOM 1552 C TYR B 622 0.564 6.177 8.816 1.00 0.00 C ATOM 1553 O TYR B 622 0.215 5.063 8.426 1.00 0.00 O ATOM 1554 CB TYR B 622 -1.090 7.719 9.887 1.00 0.00 C ATOM 1555 CG TYR B 622 -1.980 7.935 11.090 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -3.022 7.062 11.374 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -1.778 9.012 11.943 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -3.839 7.256 12.471 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -2.588 9.214 13.044 1.00 0.00 C ATOM 1560 CZ TYR B 622 -3.618 8.333 13.304 1.00 0.00 C ATOM 1561 OH TYR B 622 -4.427 8.530 14.398 1.00 0.00 O ATOM 0 H TYR B 622 0.983 8.389 11.041 1.00 0.00 H new ATOM 0 HA TYR B 622 -0.311 5.909 10.747 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -0.674 8.677 9.577 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -1.696 7.351 9.059 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -3.197 6.216 10.726 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -0.973 9.704 11.742 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -4.646 6.568 12.675 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -2.416 10.057 13.697 1.00 0.00 H new ATOM 0 HH TYR B 622 -4.136 9.332 14.880 1.00 0.00 H new ATOM 1570 N ALA B 623 1.390 6.958 8.128 1.00 0.00 N ATOM 1571 CA ALA B 623 1.949 6.541 6.850 1.00 0.00 C ATOM 1572 C ALA B 623 2.709 5.226 6.985 1.00 0.00 C ATOM 1573 O ALA B 623 2.486 4.287 6.222 1.00 0.00 O ATOM 1574 CB ALA B 623 2.860 7.625 6.292 1.00 0.00 C ATOM 0 H ALA B 623 1.687 7.884 8.436 1.00 0.00 H new ATOM 0 HA ALA B 623 1.124 6.383 6.156 1.00 0.00 H new ATOM 0 HB1 ALA B 623 3.271 7.299 5.336 1.00 0.00 H new ATOM 0 HB2 ALA B 623 2.288 8.542 6.148 1.00 0.00 H new ATOM 0 HB3 ALA B 623 3.674 7.812 6.992 1.00 0.00 H new ATOM 1580 N GLY B 624 3.609 5.166 7.961 1.00 0.00 N ATOM 1581 CA GLY B 624 4.390 3.963 8.178 1.00 0.00 C ATOM 1582 C GLY B 624 3.532 2.780 8.580 1.00 0.00 C ATOM 1583 O GLY B 624 3.901 1.628 8.352 1.00 0.00 O ATOM 0 H GLY B 624 3.811 5.930 8.606 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.936 3.719 7.267 1.00 0.00 H new ATOM 0 HA3 GLY B 624 5.132 4.150 8.954 1.00 0.00 H new ATOM 1587 N THR B 625 2.382 3.064 9.184 1.00 0.00 N ATOM 1588 CA THR B 625 1.470 2.014 9.622 1.00 0.00 C ATOM 1589 C THR B 625 1.070 1.112 8.461 1.00 0.00 C ATOM 1590 O THR B 625 1.045 -0.112 8.592 1.00 0.00 O ATOM 1591 CB THR B 625 0.198 2.606 10.259 1.00 0.00 C ATOM 1592 OG1 THR B 625 0.552 3.559 11.268 1.00 0.00 O ATOM 1593 CG2 THR B 625 -0.662 1.510 10.869 1.00 0.00 C ATOM 0 H THR B 625 2.060 4.012 9.381 1.00 0.00 H new ATOM 0 HA THR B 625 2.002 1.425 10.369 1.00 0.00 H new ATOM 0 HB THR B 625 -0.375 3.103 9.476 1.00 0.00 H new ATOM 0 HG1 THR B 625 1.083 4.279 10.867 1.00 0.00 H new ATOM 0 HG21 THR B 625 -1.554 1.952 11.313 1.00 0.00 H new ATOM 0 HG22 THR B 625 -0.955 0.803 10.093 1.00 0.00 H new ATOM 0 HG23 THR B 625 -0.094 0.988 11.639 1.00 0.00 H new ATOM 1601 N LEU B 626 0.761 1.724 7.322 1.00 0.00 N ATOM 1602 CA LEU B 626 0.362 0.975 6.136 1.00 0.00 C ATOM 1603 C LEU B 626 1.536 0.175 5.578 1.00 0.00 C ATOM 1604 O LEU B 626 1.402 -1.010 5.275 1.00 0.00 O ATOM 1605 CB LEU B 626 -0.176 1.926 5.065 1.00 0.00 C ATOM 1606 CG LEU B 626 -1.518 2.591 5.373 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -1.332 3.742 6.348 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -2.178 3.077 4.091 1.00 0.00 C ATOM 0 H LEU B 626 0.779 2.736 7.196 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.426 0.279 6.424 1.00 0.00 H new ATOM 0 HB2 LEU B 626 0.564 2.708 4.896 1.00 0.00 H new ATOM 0 HB3 LEU B 626 -0.273 1.372 4.131 1.00 0.00 H new ATOM 0 HG LEU B 626 -2.171 1.851 5.837 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -2.298 4.203 6.555 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -0.902 3.366 7.277 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -0.662 4.483 5.912 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -3.132 3.548 4.329 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -1.529 3.801 3.599 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -2.347 2.231 3.425 1.00 0.00 H new ATOM 1619 N GLN B 627 2.684 0.832 5.448 1.00 0.00 N ATOM 1620 CA GLN B 627 3.881 0.181 4.928 1.00 0.00 C ATOM 1621 C GLN B 627 4.183 -1.099 5.700 1.00 0.00 C ATOM 1622 O GLN B 627 4.364 -2.164 5.109 1.00 0.00 O ATOM 1623 CB GLN B 627 5.078 1.130 5.005 1.00 0.00 C ATOM 1624 CG GLN B 627 5.857 1.233 3.703 1.00 0.00 C ATOM 1625 CD GLN B 627 7.095 0.358 3.694 1.00 0.00 C ATOM 1626 OE1 GLN B 627 7.071 -0.765 3.190 1.00 0.00 O ATOM 1627 NE2 GLN B 627 8.185 0.869 4.253 1.00 0.00 N ATOM 0 H GLN B 627 2.811 1.813 5.695 1.00 0.00 H new ATOM 0 HA GLN B 627 3.698 -0.079 3.885 1.00 0.00 H new ATOM 0 HB2 GLN B 627 4.727 2.122 5.288 1.00 0.00 H new ATOM 0 HB3 GLN B 627 5.749 0.792 5.795 1.00 0.00 H new ATOM 0 HG2 GLN B 627 5.210 0.949 2.873 1.00 0.00 H new ATOM 0 HG3 GLN B 627 6.149 2.270 3.539 1.00 0.00 H new ATOM 0 HE21 GLN B 627 8.159 1.804 4.659 1.00 0.00 H new ATOM 0 HE22 GLN B 627 9.048 0.326 4.277 1.00 0.00 H new ATOM 1634 N SER B 628 4.236 -0.989 7.023 1.00 0.00 N ATOM 1635 CA SER B 628 4.521 -2.136 7.876 1.00 0.00 C ATOM 1636 C SER B 628 3.477 -3.232 7.678 1.00 0.00 C ATOM 1637 O SER B 628 3.785 -4.421 7.770 1.00 0.00 O ATOM 1638 CB SER B 628 4.557 -1.711 9.345 1.00 0.00 C ATOM 1639 OG SER B 628 5.884 -1.709 9.843 1.00 0.00 O ATOM 0 H SER B 628 4.085 -0.116 7.528 1.00 0.00 H new ATOM 0 HA SER B 628 5.497 -2.532 7.596 1.00 0.00 H new ATOM 0 HB2 SER B 628 4.124 -0.716 9.450 1.00 0.00 H new ATOM 0 HB3 SER B 628 3.944 -2.389 9.938 1.00 0.00 H new ATOM 0 HG SER B 628 5.880 -1.432 10.783 1.00 0.00 H new ATOM 1644 N LEU B 629 2.245 -2.823 7.406 1.00 0.00 N ATOM 1645 CA LEU B 629 1.153 -3.768 7.194 1.00 0.00 C ATOM 1646 C LEU B 629 1.274 -4.443 5.832 1.00 0.00 C ATOM 1647 O LEU B 629 0.924 -5.611 5.674 1.00 0.00 O ATOM 1648 CB LEU B 629 -0.196 -3.054 7.305 1.00 0.00 C ATOM 1649 CG LEU B 629 -1.343 -3.875 7.894 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -2.615 -3.044 7.958 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -1.570 -5.139 7.078 1.00 0.00 C ATOM 0 H LEU B 629 1.975 -1.843 7.327 1.00 0.00 H new ATOM 0 HA LEU B 629 1.215 -4.535 7.966 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -0.063 -2.162 7.917 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -0.490 -2.718 6.311 1.00 0.00 H new ATOM 0 HG LEU B 629 -1.072 -4.167 8.909 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -3.421 -3.644 8.380 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -2.447 -2.169 8.586 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -2.890 -2.722 6.954 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -2.390 -5.710 7.513 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -1.819 -4.870 6.052 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -0.663 -5.744 7.084 1.00 0.00 H new ATOM 1662 N GLY B 630 1.777 -3.700 4.852 1.00 0.00 N ATOM 1663 CA GLY B 630 1.938 -4.244 3.515 1.00 0.00 C ATOM 1664 C GLY B 630 2.771 -5.510 3.502 1.00 0.00 C ATOM 1665 O GLY B 630 2.380 -6.512 2.905 1.00 0.00 O ATOM 0 H GLY B 630 2.076 -2.731 4.959 1.00 0.00 H new ATOM 0 HA2 GLY B 630 0.956 -4.454 3.091 1.00 0.00 H new ATOM 0 HA3 GLY B 630 2.408 -3.497 2.876 1.00 0.00 H new ATOM 1669 N ALA B 631 3.925 -5.464 4.160 1.00 0.00 N ATOM 1670 CA ALA B 631 4.816 -6.616 4.222 1.00 0.00 C ATOM 1671 C ALA B 631 4.096 -7.837 4.783 1.00 0.00 C ATOM 1672 O ALA B 631 4.334 -8.964 4.348 1.00 0.00 O ATOM 1673 CB ALA B 631 6.041 -6.291 5.062 1.00 0.00 C ATOM 0 H ALA B 631 4.265 -4.641 4.658 1.00 0.00 H new ATOM 0 HA ALA B 631 5.137 -6.851 3.207 1.00 0.00 H new ATOM 0 HB1 ALA B 631 6.697 -7.160 5.100 1.00 0.00 H new ATOM 0 HB2 ALA B 631 6.575 -5.452 4.617 1.00 0.00 H new ATOM 0 HB3 ALA B 631 5.730 -6.028 6.073 1.00 0.00 H new ATOM 1679 N GLU B 632 3.217 -7.606 5.752 1.00 0.00 N ATOM 1680 CA GLU B 632 2.463 -8.690 6.374 1.00 0.00 C ATOM 1681 C GLU B 632 1.687 -9.483 5.327 1.00 0.00 C ATOM 1682 O GLU B 632 1.675 -10.714 5.350 1.00 0.00 O ATOM 1683 CB GLU B 632 1.500 -8.133 7.425 1.00 0.00 C ATOM 1684 CG GLU B 632 2.180 -7.278 8.481 1.00 0.00 C ATOM 1685 CD GLU B 632 2.837 -8.107 9.568 1.00 0.00 C ATOM 1686 OE1 GLU B 632 3.999 -8.522 9.379 1.00 0.00 O ATOM 1687 OE2 GLU B 632 2.187 -8.340 10.610 1.00 0.00 O ATOM 0 H GLU B 632 3.009 -6.679 6.124 1.00 0.00 H new ATOM 0 HA GLU B 632 3.172 -9.360 6.860 1.00 0.00 H new ATOM 0 HB2 GLU B 632 0.735 -7.539 6.926 1.00 0.00 H new ATOM 0 HB3 GLU B 632 0.990 -8.963 7.914 1.00 0.00 H new ATOM 0 HG2 GLU B 632 2.932 -6.649 8.005 1.00 0.00 H new ATOM 0 HG3 GLU B 632 1.445 -6.611 8.932 1.00 0.00 H new ATOM 1692 N ILE B 633 1.040 -8.769 4.411 1.00 0.00 N ATOM 1693 CA ILE B 633 0.263 -9.406 3.356 1.00 0.00 C ATOM 1694 C ILE B 633 1.172 -10.041 2.310 1.00 0.00 C ATOM 1695 O ILE B 633 0.894 -11.132 1.811 1.00 0.00 O ATOM 1696 CB ILE B 633 -0.675 -8.400 2.662 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -1.624 -7.768 3.682 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.460 -9.086 1.553 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -2.567 -6.750 3.079 1.00 0.00 C ATOM 0 H ILE B 633 1.039 -7.750 4.379 1.00 0.00 H new ATOM 0 HA ILE B 633 -0.337 -10.182 3.831 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.071 -7.609 2.217 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -2.208 -8.555 4.159 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -1.036 -7.288 4.465 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.118 -8.362 1.072 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -0.768 -9.493 0.816 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.057 -9.894 1.976 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -3.210 -6.343 3.859 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -1.990 -5.943 2.627 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -3.181 -7.229 2.316 1.00 0.00 H new ATOM 1710 N ALA B 634 2.261 -9.353 1.983 1.00 0.00 N ATOM 1711 CA ALA B 634 3.214 -9.851 0.999 1.00 0.00 C ATOM 1712 C ALA B 634 3.823 -11.175 1.447 1.00 0.00 C ATOM 1713 O ALA B 634 4.149 -12.030 0.623 1.00 0.00 O ATOM 1714 CB ALA B 634 4.307 -8.821 0.755 1.00 0.00 C ATOM 0 H ALA B 634 2.505 -8.448 2.386 1.00 0.00 H new ATOM 0 HA ALA B 634 2.678 -10.024 0.066 1.00 0.00 H new ATOM 0 HB1 ALA B 634 5.012 -9.206 0.018 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.861 -7.898 0.383 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.832 -8.620 1.689 1.00 0.00 H new ATOM 1720 N VAL B 635 3.975 -11.339 2.757 1.00 0.00 N ATOM 1721 CA VAL B 635 4.544 -12.560 3.314 1.00 0.00 C ATOM 1722 C VAL B 635 3.525 -13.693 3.310 1.00 0.00 C ATOM 1723 O VAL B 635 3.882 -14.861 3.154 1.00 0.00 O ATOM 1724 CB VAL B 635 5.045 -12.340 4.754 1.00 0.00 C ATOM 1725 CG1 VAL B 635 5.608 -13.631 5.327 1.00 0.00 C ATOM 1726 CG2 VAL B 635 6.086 -11.231 4.792 1.00 0.00 C ATOM 0 H VAL B 635 3.712 -10.641 3.453 1.00 0.00 H new ATOM 0 HA VAL B 635 5.388 -12.833 2.681 1.00 0.00 H new ATOM 0 HB VAL B 635 4.200 -12.035 5.372 1.00 0.00 H new ATOM 0 HG11 VAL B 635 5.957 -13.456 6.345 1.00 0.00 H new ATOM 0 HG12 VAL B 635 4.830 -14.395 5.336 1.00 0.00 H new ATOM 0 HG13 VAL B 635 6.441 -13.970 4.711 1.00 0.00 H new ATOM 0 HG21 VAL B 635 6.429 -11.089 5.817 1.00 0.00 H new ATOM 0 HG22 VAL B 635 6.932 -11.504 4.161 1.00 0.00 H new ATOM 0 HG23 VAL B 635 5.644 -10.304 4.426 1.00 0.00 H new ATOM 1736 N GLU B 636 2.254 -13.341 3.483 1.00 0.00 N ATOM 1737 CA GLU B 636 1.183 -14.330 3.498 1.00 0.00 C ATOM 1738 C GLU B 636 1.039 -14.999 2.135 1.00 0.00 C ATOM 1739 O GLU B 636 1.047 -16.225 2.030 1.00 0.00 O ATOM 1740 CB GLU B 636 -0.140 -13.675 3.900 1.00 0.00 C ATOM 1741 CG GLU B 636 -0.266 -13.421 5.393 1.00 0.00 C ATOM 1742 CD GLU B 636 -0.431 -14.701 6.190 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -0.489 -15.783 5.570 1.00 0.00 O ATOM 1744 OE2 GLU B 636 -0.500 -14.618 7.434 1.00 0.00 O ATOM 0 H GLU B 636 1.942 -12.379 3.615 1.00 0.00 H new ATOM 0 HA GLU B 636 1.440 -15.094 4.232 1.00 0.00 H new ATOM 0 HB2 GLU B 636 -0.243 -12.729 3.369 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -0.964 -14.312 3.578 1.00 0.00 H new ATOM 0 HG2 GLU B 636 0.619 -12.890 5.744 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -1.121 -12.770 5.576 1.00 0.00 H new ATOM 1749 N GLN B 637 0.910 -14.184 1.094 1.00 0.00 N ATOM 1750 CA GLN B 637 0.763 -14.697 -0.264 1.00 0.00 C ATOM 1751 C GLN B 637 1.998 -15.485 -0.684 1.00 0.00 C ATOM 1752 O GLN B 637 1.910 -16.414 -1.486 1.00 0.00 O ATOM 1753 CB GLN B 637 0.522 -13.546 -1.243 1.00 0.00 C ATOM 1754 CG GLN B 637 1.765 -12.723 -1.534 1.00 0.00 C ATOM 1755 CD GLN B 637 2.464 -13.152 -2.809 1.00 0.00 C ATOM 1756 OE1 GLN B 637 3.779 -13.323 -2.736 1.00 0.00 O flip ATOM 1757 NE2 GLN B 637 1.829 -13.330 -3.849 1.00 0.00 N flip ATOM 0 H GLN B 637 0.904 -13.166 1.164 1.00 0.00 H new ATOM 0 HA GLN B 637 -0.097 -15.367 -0.281 1.00 0.00 H new ATOM 0 HB2 GLN B 637 0.138 -13.951 -2.179 1.00 0.00 H new ATOM 0 HB3 GLN B 637 -0.250 -12.892 -0.838 1.00 0.00 H new ATOM 0 HG2 GLN B 637 1.490 -11.671 -1.611 1.00 0.00 H new ATOM 0 HG3 GLN B 637 2.458 -12.810 -0.697 1.00 0.00 H new ATOM 0 HE21 GLN B 637 0.819 -13.187 -3.861 1.00 0.00 H new ATOM 0 HE22 GLN B 637 2.313 -13.620 -4.699 1.00 0.00 H new ATOM 1764 N ALA B 638 3.149 -15.110 -0.136 1.00 0.00 N ATOM 1765 CA ALA B 638 4.402 -15.784 -0.453 1.00 0.00 C ATOM 1766 C ALA B 638 4.379 -17.235 0.016 1.00 0.00 C ATOM 1767 O ALA B 638 5.093 -18.082 -0.520 1.00 0.00 O ATOM 1768 CB ALA B 638 5.573 -15.043 0.174 1.00 0.00 C ATOM 0 H ALA B 638 3.240 -14.343 0.530 1.00 0.00 H new ATOM 0 HA ALA B 638 4.523 -15.782 -1.536 1.00 0.00 H new ATOM 0 HB1 ALA B 638 6.502 -15.557 -0.071 1.00 0.00 H new ATOM 0 HB2 ALA B 638 5.609 -14.025 -0.214 1.00 0.00 H new ATOM 0 HB3 ALA B 638 5.448 -15.015 1.256 1.00 0.00 H new ATOM 1774 N ALA B 639 3.555 -17.514 1.022 1.00 0.00 N ATOM 1775 CA ALA B 639 3.439 -18.862 1.562 1.00 0.00 C ATOM 1776 C ALA B 639 2.509 -19.718 0.708 1.00 0.00 C ATOM 1777 O ALA B 639 2.617 -20.945 0.692 1.00 0.00 O ATOM 1778 CB ALA B 639 2.941 -18.814 2.999 1.00 0.00 C ATOM 0 H ALA B 639 2.959 -16.824 1.479 1.00 0.00 H new ATOM 0 HA ALA B 639 4.429 -19.319 1.546 1.00 0.00 H new ATOM 0 HB1 ALA B 639 2.859 -19.828 3.390 1.00 0.00 H new ATOM 0 HB2 ALA B 639 3.644 -18.246 3.609 1.00 0.00 H new ATOM 0 HB3 ALA B 639 1.963 -18.333 3.029 1.00 0.00 H new ATOM 1784 N LEU B 640 1.597 -19.063 -0.002 1.00 0.00 N ATOM 1785 CA LEU B 640 0.647 -19.766 -0.859 1.00 0.00 C ATOM 1786 C LEU B 640 0.998 -19.574 -2.332 1.00 0.00 C ATOM 1787 O LEU B 640 0.131 -19.654 -3.201 1.00 0.00 O ATOM 1788 CB LEU B 640 -0.775 -19.267 -0.593 1.00 0.00 C ATOM 1789 CG LEU B 640 -1.116 -18.960 0.866 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -2.448 -18.232 0.959 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -1.147 -20.240 1.687 1.00 0.00 C ATOM 0 H LEU B 640 1.495 -18.048 -0.002 1.00 0.00 H new ATOM 0 HA LEU B 640 0.702 -20.829 -0.626 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.938 -18.364 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -1.476 -20.017 -0.959 1.00 0.00 H new ATOM 0 HG LEU B 640 -0.341 -18.311 1.273 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -2.675 -18.021 2.004 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -2.390 -17.296 0.404 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -3.234 -18.857 0.535 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -1.391 -20.002 2.722 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -1.902 -20.914 1.282 1.00 0.00 H new ATOM 0 HD23 LEU B 640 -0.170 -20.722 1.646 1.00 0.00 H new ATOM 1802 N GLN B 641 2.275 -19.323 -2.602 1.00 0.00 N ATOM 1803 CA GLN B 641 2.740 -19.121 -3.969 1.00 0.00 C ATOM 1804 C GLN B 641 2.295 -20.268 -4.870 1.00 0.00 C ATOM 1805 O GLN B 641 1.713 -20.047 -5.932 1.00 0.00 O ATOM 1806 CB GLN B 641 4.264 -18.995 -3.998 1.00 0.00 C ATOM 1807 CG GLN B 641 4.781 -17.707 -3.378 1.00 0.00 C ATOM 1808 CD GLN B 641 4.760 -16.543 -4.347 1.00 0.00 C ATOM 1809 OE1 GLN B 641 5.703 -16.341 -5.113 1.00 0.00 O ATOM 1810 NE2 GLN B 641 3.682 -15.769 -4.322 1.00 0.00 N ATOM 0 H GLN B 641 3.005 -19.255 -1.893 1.00 0.00 H new ATOM 0 HA GLN B 641 2.299 -18.197 -4.344 1.00 0.00 H new ATOM 0 HB2 GLN B 641 4.700 -19.843 -3.470 1.00 0.00 H new ATOM 0 HB3 GLN B 641 4.605 -19.053 -5.032 1.00 0.00 H new ATOM 0 HG2 GLN B 641 4.176 -17.460 -2.506 1.00 0.00 H new ATOM 0 HG3 GLN B 641 5.800 -17.862 -3.025 1.00 0.00 H new ATOM 0 HE21 GLN B 641 2.923 -15.972 -3.671 1.00 0.00 H new ATOM 0 HE22 GLN B 641 3.612 -14.971 -4.954 1.00 0.00 H new ATOM 1817 N SER B 642 2.573 -21.495 -4.439 1.00 0.00 N ATOM 1818 CA SER B 642 2.205 -22.677 -5.209 1.00 0.00 C ATOM 1819 C SER B 642 0.709 -22.687 -5.508 1.00 0.00 C ATOM 1820 O SER B 642 0.267 -23.275 -6.494 1.00 0.00 O ATOM 1821 CB SER B 642 2.592 -23.947 -4.448 1.00 0.00 C ATOM 1822 OG SER B 642 3.714 -23.720 -3.614 1.00 0.00 O ATOM 0 H SER B 642 3.052 -21.696 -3.561 1.00 0.00 H new ATOM 0 HA SER B 642 2.747 -22.648 -6.154 1.00 0.00 H new ATOM 0 HB2 SER B 642 1.749 -24.284 -3.845 1.00 0.00 H new ATOM 0 HB3 SER B 642 2.817 -24.745 -5.156 1.00 0.00 H new ATOM 0 HG SER B 642 3.940 -24.546 -3.138 1.00 0.00 H new ATOM 1827 N ALA B 643 -0.064 -22.029 -4.650 1.00 0.00 N ATOM 1828 CA ALA B 643 -1.510 -21.959 -4.823 1.00 0.00 C ATOM 1829 C ALA B 643 -1.884 -20.967 -5.919 1.00 0.00 C ATOM 1830 O ALA B 643 -2.885 -21.143 -6.613 1.00 0.00 O ATOM 1831 CB ALA B 643 -2.181 -21.579 -3.512 1.00 0.00 C ATOM 0 H ALA B 643 0.287 -21.537 -3.828 1.00 0.00 H new ATOM 0 HA ALA B 643 -1.863 -22.945 -5.126 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -3.260 -21.531 -3.656 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -1.949 -22.328 -2.754 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -1.815 -20.606 -3.184 1.00 0.00 H new ATOM 1837 N TRP B 644 -1.075 -19.925 -6.068 1.00 0.00 N ATOM 1838 CA TRP B 644 -1.323 -18.904 -7.079 1.00 0.00 C ATOM 1839 C TRP B 644 -1.519 -19.535 -8.454 1.00 0.00 C ATOM 1840 O TRP B 644 -0.936 -20.576 -8.756 1.00 0.00 O ATOM 1841 CB TRP B 644 -0.162 -17.908 -7.123 1.00 0.00 C ATOM 1842 CG TRP B 644 -0.487 -16.652 -7.874 1.00 0.00 C ATOM 1843 CD1 TRP B 644 -0.439 -16.470 -9.227 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.905 -15.402 -7.314 1.00 0.00 C ATOM 1845 NE1 TRP B 644 -0.803 -15.183 -9.542 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -1.094 -14.508 -8.386 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -1.139 -14.951 -6.012 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -1.505 -13.192 -8.192 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -1.546 -13.645 -5.822 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -1.728 -12.777 -6.907 1.00 0.00 C ATOM 0 H TRP B 644 -0.242 -19.765 -5.502 1.00 0.00 H new ATOM 0 HA TRP B 644 -2.237 -18.375 -6.809 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.125 -17.650 -6.104 1.00 0.00 H new ATOM 0 HB3 TRP B 644 0.701 -18.387 -7.586 1.00 0.00 H new ATOM 0 HD1 TRP B 644 -0.156 -17.227 -9.944 1.00 0.00 H new ATOM 0 HE1 TRP B 644 -0.849 -14.794 -10.484 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -1.004 -15.612 -5.169 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -1.643 -12.521 -9.027 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.727 -13.286 -4.820 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -2.050 -11.762 -6.726 1.00 0.00 H new ATOM 1860 N GLN B 645 -2.341 -18.898 -9.281 1.00 0.00 N ATOM 1861 CA GLN B 645 -2.613 -19.399 -10.623 1.00 0.00 C ATOM 1862 C GLN B 645 -1.701 -18.733 -11.648 1.00 0.00 C ATOM 1863 O GLN B 645 -0.777 -19.356 -12.170 1.00 0.00 O ATOM 1864 CB GLN B 645 -4.077 -19.158 -10.993 1.00 0.00 C ATOM 1865 CG GLN B 645 -5.061 -19.812 -10.038 1.00 0.00 C ATOM 1866 CD GLN B 645 -5.209 -21.302 -10.279 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -5.967 -21.730 -11.149 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -4.479 -22.101 -9.509 1.00 0.00 N ATOM 0 H GLN B 645 -2.830 -18.034 -9.046 1.00 0.00 H new ATOM 0 HA GLN B 645 -2.415 -20.471 -10.630 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -4.265 -18.085 -11.017 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -4.255 -19.535 -12.000 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -4.731 -19.645 -9.013 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -6.035 -19.333 -10.142 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -3.863 -21.703 -8.800 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -4.534 -23.113 -9.627 1.00 0.00 H new ATOM 1875 N GLY B 646 -1.967 -17.461 -11.931 1.00 0.00 N ATOM 1876 CA GLY B 646 -1.162 -16.732 -12.894 1.00 0.00 C ATOM 1877 C GLY B 646 -1.848 -16.594 -14.239 1.00 0.00 C ATOM 1878 O GLY B 646 -1.472 -15.749 -15.051 1.00 0.00 O ATOM 0 H GLY B 646 -2.725 -16.923 -11.511 1.00 0.00 H new ATOM 0 HA2 GLY B 646 -0.940 -15.740 -12.500 1.00 0.00 H new ATOM 0 HA3 GLY B 646 -0.209 -17.243 -13.027 1.00 0.00 H new ATOM 1882 N ASP B 647 -2.855 -17.427 -14.475 1.00 0.00 N ATOM 1883 CA ASP B 647 -3.595 -17.395 -15.731 1.00 0.00 C ATOM 1884 C ASP B 647 -4.861 -16.556 -15.594 1.00 0.00 C ATOM 1885 O ASP B 647 -5.839 -16.764 -16.315 1.00 0.00 O ATOM 1886 CB ASP B 647 -3.955 -18.815 -16.172 1.00 0.00 C ATOM 1887 CG ASP B 647 -3.723 -19.036 -17.654 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -3.674 -18.038 -18.403 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -3.593 -20.208 -18.066 1.00 0.00 O ATOM 0 H ASP B 647 -3.178 -18.133 -13.813 1.00 0.00 H new ATOM 0 HA ASP B 647 -2.958 -16.938 -16.488 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -3.361 -19.531 -15.603 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -5.001 -19.011 -15.938 1.00 0.00 H new ATOM 1893 N THR B 648 -4.838 -15.606 -14.665 1.00 0.00 N ATOM 1894 CA THR B 648 -5.984 -14.736 -14.431 1.00 0.00 C ATOM 1895 C THR B 648 -5.624 -13.275 -14.676 1.00 0.00 C ATOM 1896 O THR B 648 -6.470 -12.476 -15.074 1.00 0.00 O ATOM 1897 CB THR B 648 -6.521 -14.887 -12.995 1.00 0.00 C ATOM 1898 OG1 THR B 648 -5.452 -14.742 -12.055 1.00 0.00 O ATOM 1899 CG2 THR B 648 -7.189 -16.242 -12.807 1.00 0.00 C ATOM 0 H THR B 648 -4.037 -15.419 -14.062 1.00 0.00 H new ATOM 0 HA THR B 648 -6.760 -15.039 -15.134 1.00 0.00 H new ATOM 0 HB THR B 648 -7.263 -14.107 -12.824 1.00 0.00 H new ATOM 0 HG1 THR B 648 -5.740 -14.162 -11.319 1.00 0.00 H new ATOM 0 HG21 THR B 648 -7.560 -16.326 -11.786 1.00 0.00 H new ATOM 0 HG22 THR B 648 -8.021 -16.337 -13.505 1.00 0.00 H new ATOM 0 HG23 THR B 648 -6.464 -17.034 -12.996 1.00 0.00 H new ATOM 1907 N GLY B 649 -4.362 -12.933 -14.434 1.00 0.00 N ATOM 1908 CA GLY B 649 -3.914 -11.567 -14.633 1.00 0.00 C ATOM 1909 C GLY B 649 -2.522 -11.328 -14.083 1.00 0.00 C ATOM 1910 O GLY B 649 -1.538 -11.376 -14.822 1.00 0.00 O ATOM 0 H GLY B 649 -3.643 -13.577 -14.104 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -3.925 -11.336 -15.698 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -4.614 -10.884 -14.151 1.00 0.00 H new ATOM 1914 N ILE B 650 -2.438 -11.069 -12.783 1.00 0.00 N ATOM 1915 CA ILE B 650 -1.156 -10.820 -12.135 1.00 0.00 C ATOM 1916 C ILE B 650 -0.517 -12.122 -11.666 1.00 0.00 C ATOM 1917 O ILE B 650 -1.205 -13.040 -11.218 1.00 0.00 O ATOM 1918 CB ILE B 650 -1.308 -9.873 -10.931 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -1.923 -8.544 -11.373 1.00 0.00 C ATOM 1920 CG2 ILE B 650 0.040 -9.643 -10.263 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -2.107 -7.556 -10.243 1.00 0.00 C ATOM 0 H ILE B 650 -3.242 -11.026 -12.157 1.00 0.00 H new ATOM 0 HA ILE B 650 -0.513 -10.348 -12.878 1.00 0.00 H new ATOM 0 HB ILE B 650 -1.976 -10.337 -10.206 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -1.288 -8.095 -12.137 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -2.890 -8.737 -11.836 1.00 0.00 H new ATOM 0 HG21 ILE B 650 -0.085 -8.971 -9.414 1.00 0.00 H new ATOM 0 HG22 ILE B 650 0.442 -10.595 -9.917 1.00 0.00 H new ATOM 0 HG23 ILE B 650 0.730 -9.197 -10.980 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.547 -6.637 -10.631 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -2.767 -7.985 -9.489 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -1.139 -7.333 -9.794 1.00 0.00 H new ATOM 1932 N THR B 651 0.807 -12.197 -11.769 1.00 0.00 N ATOM 1933 CA THR B 651 1.541 -13.386 -11.354 1.00 0.00 C ATOM 1934 C THR B 651 2.154 -13.199 -9.971 1.00 0.00 C ATOM 1935 O THR B 651 2.072 -12.119 -9.386 1.00 0.00 O ATOM 1936 CB THR B 651 2.658 -13.734 -12.355 1.00 0.00 C ATOM 1937 OG1 THR B 651 2.519 -12.942 -13.540 1.00 0.00 O ATOM 1938 CG2 THR B 651 2.618 -15.210 -12.719 1.00 0.00 C ATOM 0 H THR B 651 1.393 -11.447 -12.137 1.00 0.00 H new ATOM 0 HA THR B 651 0.823 -14.206 -11.322 1.00 0.00 H new ATOM 0 HB THR B 651 3.617 -13.518 -11.884 1.00 0.00 H new ATOM 0 HG1 THR B 651 3.234 -13.168 -14.171 1.00 0.00 H new ATOM 0 HG21 THR B 651 3.416 -15.432 -13.427 1.00 0.00 H new ATOM 0 HG22 THR B 651 2.754 -15.810 -11.819 1.00 0.00 H new ATOM 0 HG23 THR B 651 1.655 -15.447 -13.172 1.00 0.00 H new ATOM 1946 N TYR B 652 2.769 -14.257 -9.454 1.00 0.00 N ATOM 1947 CA TYR B 652 3.395 -14.210 -8.138 1.00 0.00 C ATOM 1948 C TYR B 652 4.598 -13.271 -8.140 1.00 0.00 C ATOM 1949 O TYR B 652 4.833 -12.546 -7.175 1.00 0.00 O ATOM 1950 CB TYR B 652 3.829 -15.612 -7.706 1.00 0.00 C ATOM 1951 CG TYR B 652 4.872 -16.228 -8.611 1.00 0.00 C ATOM 1952 CD1 TYR B 652 4.503 -16.967 -9.727 1.00 0.00 C ATOM 1953 CD2 TYR B 652 6.228 -16.072 -8.347 1.00 0.00 C ATOM 1954 CE1 TYR B 652 5.452 -17.533 -10.555 1.00 0.00 C ATOM 1955 CE2 TYR B 652 7.185 -16.634 -9.171 1.00 0.00 C ATOM 1956 CZ TYR B 652 6.792 -17.363 -10.273 1.00 0.00 C ATOM 1957 OH TYR B 652 7.741 -17.924 -11.096 1.00 0.00 O ATOM 0 H TYR B 652 2.847 -15.158 -9.926 1.00 0.00 H new ATOM 0 HA TYR B 652 2.661 -13.829 -7.428 1.00 0.00 H new ATOM 0 HB2 TYR B 652 4.223 -15.565 -6.691 1.00 0.00 H new ATOM 0 HB3 TYR B 652 2.954 -16.262 -7.678 1.00 0.00 H new ATOM 0 HD1 TYR B 652 3.455 -17.102 -9.951 1.00 0.00 H new ATOM 0 HD2 TYR B 652 6.539 -15.502 -7.484 1.00 0.00 H new ATOM 0 HE1 TYR B 652 5.147 -18.106 -11.419 1.00 0.00 H new ATOM 0 HE2 TYR B 652 8.235 -16.503 -8.953 1.00 0.00 H new ATOM 0 HH TYR B 652 8.635 -17.709 -10.758 1.00 0.00 H new ATOM 1966 N GLN B 653 5.355 -13.293 -9.233 1.00 0.00 N ATOM 1967 CA GLN B 653 6.534 -12.444 -9.361 1.00 0.00 C ATOM 1968 C GLN B 653 6.135 -10.991 -9.597 1.00 0.00 C ATOM 1969 O GLN B 653 6.744 -10.073 -9.050 1.00 0.00 O ATOM 1970 CB GLN B 653 7.419 -12.936 -10.508 1.00 0.00 C ATOM 1971 CG GLN B 653 6.721 -12.938 -11.858 1.00 0.00 C ATOM 1972 CD GLN B 653 7.432 -13.802 -12.881 1.00 0.00 C ATOM 1973 OE1 GLN B 653 8.568 -14.225 -12.671 1.00 0.00 O ATOM 1974 NE2 GLN B 653 6.763 -14.069 -13.997 1.00 0.00 N ATOM 0 H GLN B 653 5.173 -13.888 -10.041 1.00 0.00 H new ATOM 0 HA GLN B 653 7.095 -12.500 -8.428 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.306 -12.305 -10.568 1.00 0.00 H new ATOM 0 HB3 GLN B 653 7.761 -13.946 -10.284 1.00 0.00 H new ATOM 0 HG2 GLN B 653 5.699 -13.295 -11.734 1.00 0.00 H new ATOM 0 HG3 GLN B 653 6.658 -11.916 -12.232 1.00 0.00 H new ATOM 0 HE21 GLN B 653 5.822 -13.697 -14.129 1.00 0.00 H new ATOM 0 HE22 GLN B 653 7.190 -14.646 -14.722 1.00 0.00 H new ATOM 1981 N ALA B 654 5.108 -10.790 -10.417 1.00 0.00 N ATOM 1982 CA ALA B 654 4.627 -9.449 -10.726 1.00 0.00 C ATOM 1983 C ALA B 654 3.918 -8.831 -9.525 1.00 0.00 C ATOM 1984 O ALA B 654 4.100 -7.651 -9.224 1.00 0.00 O ATOM 1985 CB ALA B 654 3.698 -9.485 -11.929 1.00 0.00 C ATOM 0 H ALA B 654 4.593 -11.539 -10.879 1.00 0.00 H new ATOM 0 HA ALA B 654 5.489 -8.827 -10.966 1.00 0.00 H new ATOM 0 HB1 ALA B 654 3.347 -8.477 -12.148 1.00 0.00 H new ATOM 0 HB2 ALA B 654 4.236 -9.877 -12.792 1.00 0.00 H new ATOM 0 HB3 ALA B 654 2.845 -10.127 -11.711 1.00 0.00 H new ATOM 1991 N TRP B 655 3.110 -9.635 -8.844 1.00 0.00 N ATOM 1992 CA TRP B 655 2.372 -9.166 -7.676 1.00 0.00 C ATOM 1993 C TRP B 655 3.326 -8.745 -6.563 1.00 0.00 C ATOM 1994 O TRP B 655 3.100 -7.740 -5.888 1.00 0.00 O ATOM 1995 CB TRP B 655 1.429 -10.259 -7.171 1.00 0.00 C ATOM 1996 CG TRP B 655 0.462 -9.775 -6.132 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.861 -9.490 -6.315 1.00 0.00 C ATOM 1998 CD2 TRP B 655 0.744 -9.517 -4.752 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.419 -9.071 -5.130 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.456 -9.080 -4.157 1.00 0.00 C ATOM 2001 CE3 TRP B 655 1.891 -9.616 -3.961 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.538 -8.742 -2.809 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 1.809 -9.279 -2.623 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.602 -8.847 -2.058 1.00 0.00 C ATOM 0 H TRP B 655 2.949 -10.614 -9.080 1.00 0.00 H new ATOM 0 HA TRP B 655 1.784 -8.297 -7.972 1.00 0.00 H new ATOM 0 HB2 TRP B 655 0.872 -10.666 -8.014 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.020 -11.075 -6.755 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -1.391 -9.580 -7.252 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.393 -8.798 -4.997 1.00 0.00 H new ATOM 0 HE3 TRP B 655 2.825 -9.950 -4.387 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.467 -8.409 -2.371 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 2.690 -9.350 -2.003 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.570 -8.592 -1.009 1.00 0.00 H new ATOM 2014 N GLN B 656 4.391 -9.519 -6.378 1.00 0.00 N ATOM 2015 CA GLN B 656 5.378 -9.224 -5.346 1.00 0.00 C ATOM 2016 C GLN B 656 5.961 -7.827 -5.534 1.00 0.00 C ATOM 2017 O GLN B 656 5.915 -6.998 -4.625 1.00 0.00 O ATOM 2018 CB GLN B 656 6.498 -10.265 -5.369 1.00 0.00 C ATOM 2019 CG GLN B 656 6.206 -11.492 -4.520 1.00 0.00 C ATOM 2020 CD GLN B 656 7.370 -11.874 -3.628 1.00 0.00 C ATOM 2021 OE1 GLN B 656 7.743 -11.129 -2.721 1.00 0.00 O ATOM 2022 NE2 GLN B 656 7.952 -13.041 -3.880 1.00 0.00 N ATOM 0 H GLN B 656 4.592 -10.354 -6.929 1.00 0.00 H new ATOM 0 HA GLN B 656 4.877 -9.261 -4.378 1.00 0.00 H new ATOM 0 HB2 GLN B 656 6.670 -10.579 -6.399 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.420 -9.802 -5.018 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.328 -11.302 -3.903 1.00 0.00 H new ATOM 0 HG3 GLN B 656 5.962 -12.331 -5.172 1.00 0.00 H new ATOM 0 HE21 GLN B 656 7.611 -13.627 -4.642 1.00 0.00 H new ATOM 0 HE22 GLN B 656 8.740 -13.351 -3.312 1.00 0.00 H new ATOM 2029 N ALA B 657 6.511 -7.575 -6.716 1.00 0.00 N ATOM 2030 CA ALA B 657 7.103 -6.278 -7.023 1.00 0.00 C ATOM 2031 C ALA B 657 6.037 -5.189 -7.083 1.00 0.00 C ATOM 2032 O ALA B 657 6.225 -4.096 -6.551 1.00 0.00 O ATOM 2033 CB ALA B 657 7.867 -6.345 -8.337 1.00 0.00 C ATOM 0 H ALA B 657 6.559 -8.252 -7.478 1.00 0.00 H new ATOM 0 HA ALA B 657 7.799 -6.025 -6.223 1.00 0.00 H new ATOM 0 HB1 ALA B 657 8.304 -5.370 -8.554 1.00 0.00 H new ATOM 0 HB2 ALA B 657 8.660 -7.089 -8.259 1.00 0.00 H new ATOM 0 HB3 ALA B 657 7.185 -6.624 -9.140 1.00 0.00 H new ATOM 2039 N GLN B 658 4.919 -5.497 -7.734 1.00 0.00 N ATOM 2040 CA GLN B 658 3.825 -4.542 -7.864 1.00 0.00 C ATOM 2041 C GLN B 658 3.360 -4.057 -6.494 1.00 0.00 C ATOM 2042 O GLN B 658 3.266 -2.855 -6.250 1.00 0.00 O ATOM 2043 CB GLN B 658 2.654 -5.175 -8.619 1.00 0.00 C ATOM 2044 CG GLN B 658 2.814 -5.135 -10.130 1.00 0.00 C ATOM 2045 CD GLN B 658 1.666 -5.811 -10.855 1.00 0.00 C ATOM 2046 OE1 GLN B 658 1.985 -6.811 -11.668 1.00 0.00 O flip ATOM 2047 NE2 GLN B 658 0.505 -5.437 -10.686 1.00 0.00 N flip ATOM 0 H GLN B 658 4.748 -6.399 -8.179 1.00 0.00 H new ATOM 0 HA GLN B 658 4.190 -3.684 -8.428 1.00 0.00 H new ATOM 0 HB2 GLN B 658 2.545 -6.212 -8.301 1.00 0.00 H new ATOM 0 HB3 GLN B 658 1.734 -4.659 -8.345 1.00 0.00 H new ATOM 0 HG2 GLN B 658 2.885 -4.098 -10.457 1.00 0.00 H new ATOM 0 HG3 GLN B 658 3.750 -5.621 -10.406 1.00 0.00 H new ATOM 0 HE21 GLN B 658 0.306 -4.664 -10.051 1.00 0.00 H new ATOM 0 HE22 GLN B 658 -0.257 -5.900 -11.181 1.00 0.00 H new ATOM 2054 N TRP B 659 3.070 -5.001 -5.606 1.00 0.00 N ATOM 2055 CA TRP B 659 2.613 -4.670 -4.261 1.00 0.00 C ATOM 2056 C TRP B 659 3.563 -3.682 -3.592 1.00 0.00 C ATOM 2057 O TRP B 659 3.160 -2.585 -3.207 1.00 0.00 O ATOM 2058 CB TRP B 659 2.497 -5.938 -3.413 1.00 0.00 C ATOM 2059 CG TRP B 659 2.015 -5.678 -2.018 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.784 -5.530 -0.899 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.655 -5.536 -1.594 1.00 0.00 C ATOM 2062 NE1 TRP B 659 1.985 -5.306 0.195 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.674 -5.303 -0.204 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -0.576 -5.581 -2.252 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.491 -5.119 0.535 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -1.733 -5.397 -1.517 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -1.683 -5.167 -0.135 1.00 0.00 C ATOM 0 H TRP B 659 3.143 -6.001 -5.793 1.00 0.00 H new ATOM 0 HA TRP B 659 1.631 -4.204 -4.342 1.00 0.00 H new ATOM 0 HB2 TRP B 659 1.814 -6.632 -3.902 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.470 -6.427 -3.368 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.863 -5.582 -0.878 1.00 0.00 H new ATOM 0 HE1 TRP B 659 2.314 -5.165 1.150 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -0.624 -5.756 -3.317 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.455 -4.944 1.600 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -2.690 -5.431 -2.016 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -2.604 -5.025 0.412 1.00 0.00 H new ATOM 2077 N ASN B 660 4.824 -4.078 -3.458 1.00 0.00 N ATOM 2078 CA ASN B 660 5.830 -3.226 -2.835 1.00 0.00 C ATOM 2079 C ASN B 660 5.848 -1.844 -3.479 1.00 0.00 C ATOM 2080 O ASN B 660 5.876 -0.826 -2.787 1.00 0.00 O ATOM 2081 CB ASN B 660 7.214 -3.870 -2.945 1.00 0.00 C ATOM 2082 CG ASN B 660 8.252 -3.159 -2.099 1.00 0.00 C ATOM 2083 OD1 ASN B 660 8.173 -1.949 -1.887 1.00 0.00 O ATOM 2084 ND2 ASN B 660 9.233 -3.910 -1.612 1.00 0.00 N ATOM 0 H ASN B 660 5.174 -4.983 -3.772 1.00 0.00 H new ATOM 0 HA ASN B 660 5.572 -3.113 -1.782 1.00 0.00 H new ATOM 0 HB2 ASN B 660 7.151 -4.914 -2.637 1.00 0.00 H new ATOM 0 HB3 ASN B 660 7.533 -3.864 -3.987 1.00 0.00 H new ATOM 0 HD21 ASN B 660 9.961 -3.487 -1.036 1.00 0.00 H new ATOM 0 HD22 ASN B 660 9.258 -4.910 -1.814 1.00 0.00 H new ATOM 2090 N GLN B 661 5.829 -1.816 -4.808 1.00 0.00 N ATOM 2091 CA GLN B 661 5.844 -0.559 -5.546 1.00 0.00 C ATOM 2092 C GLN B 661 4.594 0.263 -5.244 1.00 0.00 C ATOM 2093 O GLN B 661 4.621 1.492 -5.297 1.00 0.00 O ATOM 2094 CB GLN B 661 5.942 -0.826 -7.049 1.00 0.00 C ATOM 2095 CG GLN B 661 7.268 -1.436 -7.473 1.00 0.00 C ATOM 2096 CD GLN B 661 8.337 -0.390 -7.727 1.00 0.00 C ATOM 2097 OE1 GLN B 661 8.071 0.652 -8.328 1.00 0.00 O ATOM 2098 NE2 GLN B 661 9.553 -0.663 -7.271 1.00 0.00 N ATOM 0 H GLN B 661 5.803 -2.650 -5.395 1.00 0.00 H new ATOM 0 HA GLN B 661 6.718 0.010 -5.228 1.00 0.00 H new ATOM 0 HB2 GLN B 661 5.133 -1.494 -7.344 1.00 0.00 H new ATOM 0 HB3 GLN B 661 5.794 0.111 -7.586 1.00 0.00 H new ATOM 0 HG2 GLN B 661 7.612 -2.121 -6.699 1.00 0.00 H new ATOM 0 HG3 GLN B 661 7.120 -2.026 -8.378 1.00 0.00 H new ATOM 0 HE21 GLN B 661 9.728 -1.539 -6.778 1.00 0.00 H new ATOM 0 HE22 GLN B 661 10.312 0.003 -7.413 1.00 0.00 H new ATOM 2105 N ALA B 662 3.502 -0.425 -4.928 1.00 0.00 N ATOM 2106 CA ALA B 662 2.244 0.242 -4.617 1.00 0.00 C ATOM 2107 C ALA B 662 2.261 0.814 -3.203 1.00 0.00 C ATOM 2108 O ALA B 662 2.014 2.003 -3.003 1.00 0.00 O ATOM 2109 CB ALA B 662 1.080 -0.723 -4.783 1.00 0.00 C ATOM 0 H ALA B 662 3.463 -1.443 -4.881 1.00 0.00 H new ATOM 0 HA ALA B 662 2.118 1.070 -5.315 1.00 0.00 H new ATOM 0 HB1 ALA B 662 0.147 -0.211 -4.547 1.00 0.00 H new ATOM 0 HB2 ALA B 662 1.048 -1.081 -5.812 1.00 0.00 H new ATOM 0 HB3 ALA B 662 1.210 -1.569 -4.109 1.00 0.00 H new ATOM 2115 N MET B 663 2.553 -0.039 -2.228 1.00 0.00 N ATOM 2116 CA MET B 663 2.602 0.383 -0.833 1.00 0.00 C ATOM 2117 C MET B 663 3.594 1.526 -0.646 1.00 0.00 C ATOM 2118 O MET B 663 3.345 2.455 0.122 1.00 0.00 O ATOM 2119 CB MET B 663 2.987 -0.795 0.065 1.00 0.00 C ATOM 2120 CG MET B 663 2.104 -2.018 -0.124 1.00 0.00 C ATOM 2121 SD MET B 663 0.379 -1.700 0.291 1.00 0.00 S ATOM 2122 CE MET B 663 0.527 -1.229 2.013 1.00 0.00 C ATOM 0 H MET B 663 2.759 -1.027 -2.378 1.00 0.00 H new ATOM 0 HA MET B 663 1.610 0.736 -0.551 1.00 0.00 H new ATOM 0 HB2 MET B 663 4.022 -1.070 -0.135 1.00 0.00 H new ATOM 0 HB3 MET B 663 2.937 -0.478 1.107 1.00 0.00 H new ATOM 0 HG2 MET B 663 2.169 -2.352 -1.160 1.00 0.00 H new ATOM 0 HG3 MET B 663 2.479 -2.832 0.497 1.00 0.00 H new ATOM 0 HE1 MET B 663 -0.467 -1.121 2.448 1.00 0.00 H new ATOM 0 HE2 MET B 663 1.078 -1.998 2.554 1.00 0.00 H new ATOM 0 HE3 MET B 663 1.060 -0.281 2.086 1.00 0.00 H new ATOM 2130 N GLU B 664 4.718 1.450 -1.352 1.00 0.00 N ATOM 2131 CA GLU B 664 5.748 2.479 -1.261 1.00 0.00 C ATOM 2132 C GLU B 664 5.167 3.857 -1.569 1.00 0.00 C ATOM 2133 O GLU B 664 5.274 4.781 -0.763 1.00 0.00 O ATOM 2134 CB GLU B 664 6.895 2.169 -2.224 1.00 0.00 C ATOM 2135 CG GLU B 664 8.023 3.187 -2.173 1.00 0.00 C ATOM 2136 CD GLU B 664 9.317 2.653 -2.759 1.00 0.00 C ATOM 2137 OE1 GLU B 664 9.314 2.262 -3.945 1.00 0.00 O ATOM 2138 OE2 GLU B 664 10.331 2.628 -2.032 1.00 0.00 O ATOM 0 H GLU B 664 4.938 0.688 -1.993 1.00 0.00 H new ATOM 0 HA GLU B 664 6.132 2.485 -0.241 1.00 0.00 H new ATOM 0 HB2 GLU B 664 7.296 1.182 -1.993 1.00 0.00 H new ATOM 0 HB3 GLU B 664 6.503 2.123 -3.240 1.00 0.00 H new ATOM 0 HG2 GLU B 664 7.724 4.083 -2.717 1.00 0.00 H new ATOM 0 HG3 GLU B 664 8.192 3.485 -1.138 1.00 0.00 H new ATOM 2143 N ASP B 665 4.557 3.986 -2.741 1.00 0.00 N ATOM 2144 CA ASP B 665 3.959 5.250 -3.157 1.00 0.00 C ATOM 2145 C ASP B 665 2.706 5.552 -2.343 1.00 0.00 C ATOM 2146 O ASP B 665 2.348 6.714 -2.142 1.00 0.00 O ATOM 2147 CB ASP B 665 3.618 5.211 -4.648 1.00 0.00 C ATOM 2148 CG ASP B 665 3.210 6.570 -5.184 1.00 0.00 C ATOM 2149 OD1 ASP B 665 3.878 7.568 -4.840 1.00 0.00 O ATOM 2150 OD2 ASP B 665 2.224 6.634 -5.947 1.00 0.00 O ATOM 0 H ASP B 665 4.463 3.231 -3.421 1.00 0.00 H new ATOM 0 HA ASP B 665 4.685 6.043 -2.979 1.00 0.00 H new ATOM 0 HB2 ASP B 665 4.481 4.848 -5.206 1.00 0.00 H new ATOM 0 HB3 ASP B 665 2.809 4.500 -4.814 1.00 0.00 H new ATOM 2154 N LEU B 666 2.040 4.500 -1.878 1.00 0.00 N ATOM 2155 CA LEU B 666 0.825 4.653 -1.086 1.00 0.00 C ATOM 2156 C LEU B 666 1.122 5.345 0.240 1.00 0.00 C ATOM 2157 O LEU B 666 0.325 6.148 0.726 1.00 0.00 O ATOM 2158 CB LEU B 666 0.185 3.288 -0.830 1.00 0.00 C ATOM 2159 CG LEU B 666 -0.331 3.044 0.590 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -1.531 3.929 0.881 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -0.688 1.577 0.783 1.00 0.00 C ATOM 0 H LEU B 666 2.321 3.532 -2.036 1.00 0.00 H new ATOM 0 HA LEU B 666 0.129 5.274 -1.650 1.00 0.00 H new ATOM 0 HB2 LEU B 666 -0.646 3.163 -1.524 1.00 0.00 H new ATOM 0 HB3 LEU B 666 0.917 2.516 -1.067 1.00 0.00 H new ATOM 0 HG LEU B 666 0.462 3.300 1.293 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -1.884 3.741 1.895 1.00 0.00 H new ATOM 0 HD12 LEU B 666 -1.243 4.976 0.785 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -2.328 3.706 0.172 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -1.053 1.422 1.798 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -1.464 1.295 0.071 1.00 0.00 H new ATOM 0 HD23 LEU B 666 0.197 0.962 0.618 1.00 0.00 H new ATOM 2172 N VAL B 667 2.276 5.030 0.821 1.00 0.00 N ATOM 2173 CA VAL B 667 2.681 5.624 2.089 1.00 0.00 C ATOM 2174 C VAL B 667 3.076 7.086 1.911 1.00 0.00 C ATOM 2175 O VAL B 667 2.613 7.959 2.644 1.00 0.00 O ATOM 2176 CB VAL B 667 3.860 4.857 2.717 1.00 0.00 C ATOM 2177 CG1 VAL B 667 4.234 5.461 4.062 1.00 0.00 C ATOM 2178 CG2 VAL B 667 3.519 3.381 2.862 1.00 0.00 C ATOM 0 H VAL B 667 2.947 4.367 0.433 1.00 0.00 H new ATOM 0 HA VAL B 667 1.821 5.563 2.756 1.00 0.00 H new ATOM 0 HB VAL B 667 4.721 4.944 2.055 1.00 0.00 H new ATOM 0 HG11 VAL B 667 5.069 4.906 4.491 1.00 0.00 H new ATOM 0 HG12 VAL B 667 4.523 6.503 3.925 1.00 0.00 H new ATOM 0 HG13 VAL B 667 3.379 5.407 4.735 1.00 0.00 H new ATOM 0 HG21 VAL B 667 4.363 2.855 3.307 1.00 0.00 H new ATOM 0 HG22 VAL B 667 2.644 3.271 3.503 1.00 0.00 H new ATOM 0 HG23 VAL B 667 3.305 2.959 1.880 1.00 0.00 H new ATOM 2188 N ARG B 668 3.936 7.344 0.930 1.00 0.00 N ATOM 2189 CA ARG B 668 4.395 8.700 0.655 1.00 0.00 C ATOM 2190 C ARG B 668 3.220 9.615 0.319 1.00 0.00 C ATOM 2191 O ARG B 668 3.255 10.813 0.593 1.00 0.00 O ATOM 2192 CB ARG B 668 5.399 8.697 -0.499 1.00 0.00 C ATOM 2193 CG ARG B 668 6.790 8.238 -0.094 1.00 0.00 C ATOM 2194 CD ARG B 668 7.750 8.259 -1.273 1.00 0.00 C ATOM 2195 NE ARG B 668 7.834 9.582 -1.886 1.00 0.00 N ATOM 2196 CZ ARG B 668 8.428 9.816 -3.051 1.00 0.00 C ATOM 2197 NH1 ARG B 668 8.985 8.820 -3.726 1.00 0.00 N ATOM 2198 NH2 ARG B 668 8.464 11.047 -3.544 1.00 0.00 N ATOM 0 H ARG B 668 4.328 6.632 0.313 1.00 0.00 H new ATOM 0 HA ARG B 668 4.884 9.080 1.552 1.00 0.00 H new ATOM 0 HB2 ARG B 668 5.027 8.047 -1.291 1.00 0.00 H new ATOM 0 HB3 ARG B 668 5.464 9.702 -0.916 1.00 0.00 H new ATOM 0 HG2 ARG B 668 7.171 8.883 0.698 1.00 0.00 H new ATOM 0 HG3 ARG B 668 6.736 7.229 0.315 1.00 0.00 H new ATOM 0 HD2 ARG B 668 8.741 7.950 -0.939 1.00 0.00 H new ATOM 0 HD3 ARG B 668 7.424 7.534 -2.019 1.00 0.00 H new ATOM 0 HE ARG B 668 7.414 10.369 -1.393 1.00 0.00 H new ATOM 0 HH11 ARG B 668 8.958 7.872 -3.351 1.00 0.00 H new ATOM 0 HH12 ARG B 668 9.441 9.002 -4.620 1.00 0.00 H new ATOM 0 HH21 ARG B 668 8.035 11.816 -3.028 1.00 0.00 H new ATOM 0 HH22 ARG B 668 8.921 11.225 -4.439 1.00 0.00 H new ATOM 2209 N ALA B 669 2.181 9.038 -0.278 1.00 0.00 N ATOM 2210 CA ALA B 669 0.996 9.800 -0.651 1.00 0.00 C ATOM 2211 C ALA B 669 0.401 10.517 0.557 1.00 0.00 C ATOM 2212 O ALA B 669 -0.194 11.586 0.425 1.00 0.00 O ATOM 2213 CB ALA B 669 -0.040 8.887 -1.287 1.00 0.00 C ATOM 0 H ALA B 669 2.137 8.046 -0.513 1.00 0.00 H new ATOM 0 HA ALA B 669 1.295 10.555 -1.378 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -0.920 9.470 -1.560 1.00 0.00 H new ATOM 0 HB2 ALA B 669 0.381 8.425 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA B 669 -0.325 8.111 -0.577 1.00 0.00 H new ATOM 2219 N TYR B 670 0.567 9.921 1.732 1.00 0.00 N ATOM 2220 CA TYR B 670 0.043 10.503 2.963 1.00 0.00 C ATOM 2221 C TYR B 670 1.028 11.507 3.553 1.00 0.00 C ATOM 2222 O TYR B 670 0.630 12.541 4.091 1.00 0.00 O ATOM 2223 CB TYR B 670 -0.252 9.402 3.985 1.00 0.00 C ATOM 2224 CG TYR B 670 -0.709 9.929 5.326 1.00 0.00 C ATOM 2225 CD1 TYR B 670 0.211 10.314 6.294 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -2.061 10.044 5.626 1.00 0.00 C ATOM 2227 CE1 TYR B 670 -0.202 10.795 7.521 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -2.483 10.525 6.851 1.00 0.00 C ATOM 2229 CZ TYR B 670 -1.550 10.899 7.795 1.00 0.00 C ATOM 2230 OH TYR B 670 -1.965 11.379 9.016 1.00 0.00 O ATOM 0 H TYR B 670 1.059 9.037 1.859 1.00 0.00 H new ATOM 0 HA TYR B 670 -0.882 11.027 2.723 1.00 0.00 H new ATOM 0 HB2 TYR B 670 -1.020 8.741 3.583 1.00 0.00 H new ATOM 0 HB3 TYR B 670 0.645 8.800 4.127 1.00 0.00 H new ATOM 0 HD1 TYR B 670 1.267 10.236 6.083 1.00 0.00 H new ATOM 0 HD2 TYR B 670 -2.795 9.752 4.889 1.00 0.00 H new ATOM 0 HE1 TYR B 670 0.527 11.088 8.262 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -3.538 10.608 7.068 1.00 0.00 H new ATOM 0 HH TYR B 670 -2.944 11.390 9.048 1.00 0.00 H new ATOM 2239 N HIS B 671 2.317 11.196 3.447 1.00 0.00 N ATOM 2240 CA HIS B 671 3.360 12.073 3.968 1.00 0.00 C ATOM 2241 C HIS B 671 3.512 13.315 3.095 1.00 0.00 C ATOM 2242 O HIS B 671 4.075 14.321 3.524 1.00 0.00 O ATOM 2243 CB HIS B 671 4.691 11.324 4.047 1.00 0.00 C ATOM 2244 CG HIS B 671 5.507 11.679 5.251 1.00 0.00 C ATOM 2245 ND1 HIS B 671 6.536 12.597 5.219 1.00 0.00 N ATOM 2246 CD2 HIS B 671 5.440 11.236 6.528 1.00 0.00 C ATOM 2247 CE1 HIS B 671 7.068 12.702 6.424 1.00 0.00 C ATOM 2248 NE2 HIS B 671 6.421 11.886 7.237 1.00 0.00 N ATOM 0 H HIS B 671 2.663 10.344 3.006 1.00 0.00 H new ATOM 0 HA HIS B 671 3.069 12.389 4.970 1.00 0.00 H new ATOM 0 HB2 HIS B 671 4.495 10.252 4.054 1.00 0.00 H new ATOM 0 HB3 HIS B 671 5.272 11.536 3.149 1.00 0.00 H new ATOM 0 HD1 HIS B 671 6.839 13.114 4.394 1.00 0.00 H new ATOM 0 HD2 HIS B 671 4.745 10.507 6.917 1.00 0.00 H new ATOM 0 HE1 HIS B 671 7.891 13.345 6.698 1.00 0.00 H new ATOM 2255 N ALA B 672 3.007 13.236 1.869 1.00 0.00 N ATOM 2256 CA ALA B 672 3.085 14.354 0.937 1.00 0.00 C ATOM 2257 C ALA B 672 2.537 15.632 1.564 1.00 0.00 C ATOM 2258 O ALA B 672 3.186 16.676 1.537 1.00 0.00 O ATOM 2259 CB ALA B 672 2.333 14.027 -0.344 1.00 0.00 C ATOM 0 H ALA B 672 2.539 12.409 1.498 1.00 0.00 H new ATOM 0 HA ALA B 672 4.135 14.521 0.696 1.00 0.00 H new ATOM 0 HB1 ALA B 672 2.400 14.871 -1.031 1.00 0.00 H new ATOM 0 HB2 ALA B 672 2.773 13.145 -0.809 1.00 0.00 H new ATOM 0 HB3 ALA B 672 1.286 13.830 -0.111 1.00 0.00 H new ATOM 2265 N MET B 673 1.337 15.539 2.129 1.00 0.00 N ATOM 2266 CA MET B 673 0.701 16.689 2.763 1.00 0.00 C ATOM 2267 C MET B 673 1.559 17.222 3.906 1.00 0.00 C ATOM 2268 O MET B 673 1.568 18.422 4.181 1.00 0.00 O ATOM 2269 CB MET B 673 -0.685 16.308 3.285 1.00 0.00 C ATOM 2270 CG MET B 673 -0.648 15.465 4.550 1.00 0.00 C ATOM 2271 SD MET B 673 -2.181 14.555 4.823 1.00 0.00 S ATOM 2272 CE MET B 673 -2.127 13.387 3.465 1.00 0.00 C ATOM 0 H MET B 673 0.786 14.681 2.161 1.00 0.00 H new ATOM 0 HA MET B 673 0.596 17.474 2.014 1.00 0.00 H new ATOM 0 HB2 MET B 673 -1.253 17.217 3.481 1.00 0.00 H new ATOM 0 HB3 MET B 673 -1.219 15.760 2.508 1.00 0.00 H new ATOM 0 HG2 MET B 673 0.182 14.761 4.489 1.00 0.00 H new ATOM 0 HG3 MET B 673 -0.456 16.111 5.407 1.00 0.00 H new ATOM 0 HE1 MET B 673 -2.981 13.553 2.808 1.00 0.00 H new ATOM 0 HE2 MET B 673 -1.204 13.525 2.902 1.00 0.00 H new ATOM 0 HE3 MET B 673 -2.164 12.371 3.857 1.00 0.00 H new