USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 410 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 82:sc= -0.526! USER MOD Single : A 28 GLN : amide:sc= -7.63! C(o=-7.6!,f=-8.3!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 142:sc= -6.96! (180deg=-10.1!) USER MOD Single : A 44 GLN : amide:sc= -0.118 K(o=-0.12,f=-0.85) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 55 CYS SG : rot 91:sc= -0.121 USER MOD Single : A 56 GLN : amide:sc= -4.67! C(o=-4.7!,f=-5.1!) USER MOD Single : A 58 THR OG1 : rot -118:sc= 0.933 USER MOD Single : A 63 GLN : amide:sc= -0.0276 K(o=-0.028,f=-1.1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 288 N LYS A 23 -4.984 4.749 -8.185 1.00 0.00 N ATOM 289 CA LYS A 23 -4.071 5.734 -8.739 1.00 0.00 C ATOM 290 C LYS A 23 -2.707 5.598 -8.059 1.00 0.00 C ATOM 291 O LYS A 23 -2.296 6.476 -7.302 1.00 0.00 O ATOM 292 CB LYS A 23 -4.671 7.138 -8.636 1.00 0.00 C ATOM 293 CG LYS A 23 -4.944 7.720 -10.024 1.00 0.00 C ATOM 294 CD LYS A 23 -3.669 8.308 -10.632 1.00 0.00 C ATOM 295 CE LYS A 23 -3.372 9.692 -10.051 1.00 0.00 C ATOM 296 NZ LYS A 23 -1.956 9.784 -9.630 1.00 0.00 N ATOM 0 HA LYS A 23 -3.917 5.555 -9.803 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.598 7.100 -8.065 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.988 7.790 -8.092 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.338 6.942 -10.678 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.708 8.494 -9.954 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.829 7.641 -10.439 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.777 8.380 -11.714 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.587 10.459 -10.795 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.024 9.883 -9.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.771 10.729 -9.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.762 9.064 -8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.339 9.623 -10.451 1.00 0.00 H new ATOM 310 N PHE A 24 -2.043 4.490 -8.354 1.00 0.00 N ATOM 311 CA PHE A 24 -0.733 4.227 -7.781 1.00 0.00 C ATOM 312 C PHE A 24 0.330 5.132 -8.406 1.00 0.00 C ATOM 313 O PHE A 24 0.598 5.047 -9.604 1.00 0.00 O ATOM 314 CB PHE A 24 -0.393 2.769 -8.094 1.00 0.00 C ATOM 315 CG PHE A 24 -1.582 1.813 -7.979 1.00 0.00 C ATOM 316 CD1 PHE A 24 -2.326 1.788 -6.841 1.00 0.00 C ATOM 317 CD2 PHE A 24 -1.895 0.989 -9.015 1.00 0.00 C ATOM 318 CE1 PHE A 24 -3.430 0.901 -6.734 1.00 0.00 C ATOM 319 CE2 PHE A 24 -2.999 0.102 -8.908 1.00 0.00 C ATOM 320 CZ PHE A 24 -3.743 0.077 -7.769 1.00 0.00 C ATOM 0 H PHE A 24 -2.387 3.764 -8.982 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.750 4.419 -6.708 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.011 2.710 -9.105 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.394 2.437 -7.417 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.077 2.443 -6.019 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.304 1.009 -9.919 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.021 0.881 -5.830 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.248 -0.552 -9.730 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.582 -0.598 -7.687 1.00 0.00 H new ATOM 330 N THR A 25 0.908 5.979 -7.567 1.00 0.00 N ATOM 331 CA THR A 25 1.937 6.899 -8.022 1.00 0.00 C ATOM 332 C THR A 25 3.320 6.258 -7.894 1.00 0.00 C ATOM 333 O THR A 25 3.451 5.158 -7.360 1.00 0.00 O ATOM 334 CB THR A 25 1.793 8.199 -7.228 1.00 0.00 C ATOM 335 OG1 THR A 25 3.043 8.857 -7.411 1.00 0.00 O ATOM 336 CG2 THR A 25 1.716 7.958 -5.719 1.00 0.00 C ATOM 0 H THR A 25 0.683 6.048 -6.574 1.00 0.00 H new ATOM 0 HA THR A 25 1.819 7.133 -9.080 1.00 0.00 H new ATOM 0 HB THR A 25 0.899 8.728 -7.557 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.042 9.327 -8.271 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.614 8.913 -5.203 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.854 7.330 -5.494 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.625 7.459 -5.383 1.00 0.00 H new ATOM 344 N ALA A 26 4.317 6.974 -8.392 1.00 0.00 N ATOM 345 CA ALA A 26 5.686 6.489 -8.340 1.00 0.00 C ATOM 346 C ALA A 26 5.910 5.750 -7.020 1.00 0.00 C ATOM 347 O ALA A 26 6.455 4.647 -7.007 1.00 0.00 O ATOM 348 CB ALA A 26 6.651 7.663 -8.522 1.00 0.00 C ATOM 0 H ALA A 26 4.204 7.887 -8.834 1.00 0.00 H new ATOM 0 HA ALA A 26 5.875 5.784 -9.149 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.678 7.299 -8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.470 8.136 -9.487 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.493 8.390 -7.726 1.00 0.00 H new ATOM 354 N GLU A 27 5.479 6.387 -5.941 1.00 0.00 N ATOM 355 CA GLU A 27 5.626 5.803 -4.618 1.00 0.00 C ATOM 356 C GLU A 27 4.912 4.451 -4.553 1.00 0.00 C ATOM 357 O GLU A 27 5.559 3.405 -4.503 1.00 0.00 O ATOM 358 CB GLU A 27 5.103 6.752 -3.539 1.00 0.00 C ATOM 359 CG GLU A 27 6.018 6.745 -2.312 1.00 0.00 C ATOM 360 CD GLU A 27 5.379 7.503 -1.147 1.00 0.00 C ATOM 361 OE1 GLU A 27 4.388 6.973 -0.600 1.00 0.00 O ATOM 362 OE2 GLU A 27 5.895 8.596 -0.830 1.00 0.00 O ATOM 0 H GLU A 27 5.028 7.302 -5.956 1.00 0.00 H new ATOM 0 HA GLU A 27 6.687 5.641 -4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.035 7.763 -3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.095 6.457 -3.247 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.223 5.717 -2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.975 7.200 -2.565 1.00 0.00 H new ATOM 369 N GLN A 28 3.589 4.516 -4.555 1.00 0.00 N ATOM 370 CA GLN A 28 2.781 3.310 -4.496 1.00 0.00 C ATOM 371 C GLN A 28 3.301 2.273 -5.494 1.00 0.00 C ATOM 372 O GLN A 28 3.470 1.104 -5.149 1.00 0.00 O ATOM 373 CB GLN A 28 1.306 3.625 -4.752 1.00 0.00 C ATOM 374 CG GLN A 28 0.777 4.639 -3.735 1.00 0.00 C ATOM 375 CD GLN A 28 0.776 4.049 -2.323 1.00 0.00 C ATOM 376 OE1 GLN A 28 -0.236 3.601 -1.811 1.00 0.00 O ATOM 377 NE2 GLN A 28 1.964 4.074 -1.726 1.00 0.00 N ATOM 0 H GLN A 28 3.056 5.385 -4.597 1.00 0.00 H new ATOM 0 HA GLN A 28 2.861 2.892 -3.493 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.184 4.019 -5.761 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.719 2.708 -4.695 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.394 5.537 -3.757 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.234 4.940 -4.008 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.771 4.464 -2.213 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.068 3.703 -0.782 1.00 0.00 H new ATOM 386 N LYS A 29 3.541 2.738 -6.711 1.00 0.00 N ATOM 387 CA LYS A 29 4.039 1.866 -7.761 1.00 0.00 C ATOM 388 C LYS A 29 5.356 1.232 -7.310 1.00 0.00 C ATOM 389 O LYS A 29 5.468 0.009 -7.237 1.00 0.00 O ATOM 390 CB LYS A 29 4.143 2.626 -9.084 1.00 0.00 C ATOM 391 CG LYS A 29 3.105 2.123 -10.089 1.00 0.00 C ATOM 392 CD LYS A 29 3.597 2.310 -11.526 1.00 0.00 C ATOM 393 CE LYS A 29 2.706 3.294 -12.287 1.00 0.00 C ATOM 394 NZ LYS A 29 3.513 4.101 -13.230 1.00 0.00 N ATOM 0 H LYS A 29 3.400 3.708 -6.993 1.00 0.00 H new ATOM 0 HA LYS A 29 3.339 1.051 -7.943 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.997 3.692 -8.908 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.144 2.506 -9.499 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.898 1.069 -9.906 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.167 2.661 -9.949 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.624 2.675 -11.518 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.605 1.349 -12.040 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.935 2.749 -12.832 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.195 3.950 -11.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.893 4.764 -13.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.232 4.635 -12.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.981 3.472 -13.913 1.00 0.00 H new ATOM 408 N GLU A 30 6.321 2.092 -7.018 1.00 0.00 N ATOM 409 CA GLU A 30 7.626 1.632 -6.576 1.00 0.00 C ATOM 410 C GLU A 30 7.485 0.750 -5.334 1.00 0.00 C ATOM 411 O GLU A 30 8.216 -0.227 -5.176 1.00 0.00 O ATOM 412 CB GLU A 30 8.561 2.813 -6.307 1.00 0.00 C ATOM 413 CG GLU A 30 8.952 3.511 -7.611 1.00 0.00 C ATOM 414 CD GLU A 30 10.471 3.531 -7.788 1.00 0.00 C ATOM 415 OE1 GLU A 30 11.124 4.262 -7.012 1.00 0.00 O ATOM 416 OE2 GLU A 30 10.946 2.814 -8.696 1.00 0.00 O ATOM 0 H GLU A 30 6.225 3.106 -7.079 1.00 0.00 H new ATOM 0 HA GLU A 30 8.069 1.035 -7.373 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.072 3.525 -5.642 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.457 2.463 -5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.491 2.998 -8.455 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.569 4.531 -7.610 1.00 0.00 H new ATOM 423 N ARG A 31 6.540 1.125 -4.484 1.00 0.00 N ATOM 424 CA ARG A 31 6.294 0.380 -3.262 1.00 0.00 C ATOM 425 C ARG A 31 5.865 -1.051 -3.589 1.00 0.00 C ATOM 426 O ARG A 31 6.526 -2.008 -3.188 1.00 0.00 O ATOM 427 CB ARG A 31 5.208 1.050 -2.418 1.00 0.00 C ATOM 428 CG ARG A 31 5.670 2.420 -1.915 1.00 0.00 C ATOM 429 CD ARG A 31 6.062 2.358 -0.438 1.00 0.00 C ATOM 430 NE ARG A 31 7.534 2.277 -0.307 1.00 0.00 N ATOM 431 CZ ARG A 31 8.230 1.132 -0.340 1.00 0.00 C ATOM 432 NH1 ARG A 31 7.591 -0.035 -0.500 1.00 0.00 N ATOM 433 NH2 ARG A 31 9.564 1.154 -0.214 1.00 0.00 N ATOM 0 H ARG A 31 5.936 1.936 -4.618 1.00 0.00 H new ATOM 0 HA ARG A 31 7.223 0.363 -2.692 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.300 1.164 -3.011 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.957 0.413 -1.570 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.520 2.761 -2.506 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.872 3.150 -2.053 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.691 3.241 0.083 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.599 1.491 0.033 1.00 0.00 H new ATOM 0 HE ARG A 31 8.051 3.147 -0.184 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.576 -0.051 -0.597 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.120 -0.907 -0.525 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.050 2.042 -0.093 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.093 0.282 -0.239 1.00 0.00 H new ATOM 447 N MET A 32 4.761 -1.153 -4.315 1.00 0.00 N ATOM 448 CA MET A 32 4.237 -2.451 -4.702 1.00 0.00 C ATOM 449 C MET A 32 5.276 -3.250 -5.491 1.00 0.00 C ATOM 450 O MET A 32 5.515 -4.421 -5.201 1.00 0.00 O ATOM 451 CB MET A 32 2.982 -2.261 -5.556 1.00 0.00 C ATOM 452 CG MET A 32 1.877 -1.563 -4.760 1.00 0.00 C ATOM 453 SD MET A 32 0.375 -1.505 -5.722 1.00 0.00 S ATOM 454 CE MET A 32 0.399 0.205 -6.233 1.00 0.00 C ATOM 0 H MET A 32 4.215 -0.357 -4.645 1.00 0.00 H new ATOM 0 HA MET A 32 3.991 -3.007 -3.797 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.225 -1.672 -6.440 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.626 -3.230 -5.906 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.700 -2.095 -3.825 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.190 -0.552 -4.497 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.036 0.284 -7.258 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.243 0.791 -5.575 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.419 0.587 -6.179 1.00 0.00 H new ATOM 464 N LEU A 33 5.866 -2.584 -6.473 1.00 0.00 N ATOM 465 CA LEU A 33 6.874 -3.217 -7.306 1.00 0.00 C ATOM 466 C LEU A 33 7.970 -3.805 -6.415 1.00 0.00 C ATOM 467 O LEU A 33 8.425 -4.926 -6.641 1.00 0.00 O ATOM 468 CB LEU A 33 7.395 -2.235 -8.356 1.00 0.00 C ATOM 469 CG LEU A 33 6.856 -2.420 -9.776 1.00 0.00 C ATOM 470 CD1 LEU A 33 6.286 -1.109 -10.321 1.00 0.00 C ATOM 471 CD2 LEU A 33 7.926 -3.007 -10.697 1.00 0.00 C ATOM 0 H LEU A 33 5.665 -1.613 -6.710 1.00 0.00 H new ATOM 0 HA LEU A 33 6.440 -4.045 -7.866 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.157 -1.223 -8.028 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.482 -2.312 -8.389 1.00 0.00 H new ATOM 0 HG LEU A 33 6.036 -3.137 -9.739 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.910 -1.268 -11.332 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.472 -0.772 -9.680 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.070 -0.352 -10.341 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.516 -3.128 -11.700 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.783 -2.335 -10.734 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.243 -3.977 -10.315 1.00 0.00 H new ATOM 483 N ALA A 34 8.364 -3.022 -5.422 1.00 0.00 N ATOM 484 CA ALA A 34 9.398 -3.451 -4.496 1.00 0.00 C ATOM 485 C ALA A 34 8.863 -4.597 -3.635 1.00 0.00 C ATOM 486 O ALA A 34 9.613 -5.494 -3.253 1.00 0.00 O ATOM 487 CB ALA A 34 9.859 -2.257 -3.657 1.00 0.00 C ATOM 0 H ALA A 34 7.986 -2.093 -5.238 1.00 0.00 H new ATOM 0 HA ALA A 34 10.267 -3.824 -5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.635 -2.578 -2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.258 -1.483 -4.313 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.013 -1.858 -3.097 1.00 0.00 H new ATOM 493 N LEU A 35 7.570 -4.530 -3.354 1.00 0.00 N ATOM 494 CA LEU A 35 6.926 -5.551 -2.546 1.00 0.00 C ATOM 495 C LEU A 35 6.839 -6.851 -3.347 1.00 0.00 C ATOM 496 O LEU A 35 7.233 -7.911 -2.863 1.00 0.00 O ATOM 497 CB LEU A 35 5.573 -5.054 -2.033 1.00 0.00 C ATOM 498 CG LEU A 35 4.672 -6.108 -1.386 1.00 0.00 C ATOM 499 CD1 LEU A 35 5.168 -6.467 0.016 1.00 0.00 C ATOM 500 CD2 LEU A 35 3.212 -5.651 -1.378 1.00 0.00 C ATOM 0 H LEU A 35 6.951 -3.784 -3.672 1.00 0.00 H new ATOM 0 HA LEU A 35 7.520 -5.763 -1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.751 -4.262 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.033 -4.606 -2.867 1.00 0.00 H new ATOM 0 HG LEU A 35 4.722 -7.016 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.510 -7.218 0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.181 -6.865 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.167 -5.575 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.593 -6.418 -0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.124 -4.723 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.877 -5.486 -2.402 1.00 0.00 H new ATOM 512 N ALA A 36 6.321 -6.728 -4.561 1.00 0.00 N ATOM 513 CA ALA A 36 6.178 -7.880 -5.434 1.00 0.00 C ATOM 514 C ALA A 36 7.537 -8.565 -5.594 1.00 0.00 C ATOM 515 O ALA A 36 7.640 -9.784 -5.469 1.00 0.00 O ATOM 516 CB ALA A 36 5.588 -7.435 -6.774 1.00 0.00 C ATOM 0 H ALA A 36 5.995 -5.848 -4.960 1.00 0.00 H new ATOM 0 HA ALA A 36 5.491 -8.607 -5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.481 -8.299 -7.429 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.611 -6.981 -6.609 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.252 -6.707 -7.240 1.00 0.00 H new ATOM 522 N GLU A 37 8.546 -7.751 -5.868 1.00 0.00 N ATOM 523 CA GLU A 37 9.894 -8.263 -6.047 1.00 0.00 C ATOM 524 C GLU A 37 10.450 -8.768 -4.714 1.00 0.00 C ATOM 525 O GLU A 37 11.520 -9.374 -4.674 1.00 0.00 O ATOM 526 CB GLU A 37 10.809 -7.198 -6.655 1.00 0.00 C ATOM 527 CG GLU A 37 10.575 -7.070 -8.161 1.00 0.00 C ATOM 528 CD GLU A 37 11.892 -6.828 -8.902 1.00 0.00 C ATOM 529 OE1 GLU A 37 12.532 -7.838 -9.266 1.00 0.00 O ATOM 530 OE2 GLU A 37 12.228 -5.638 -9.087 1.00 0.00 O ATOM 0 H GLU A 37 8.457 -6.740 -5.970 1.00 0.00 H new ATOM 0 HA GLU A 37 9.855 -9.101 -6.743 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.627 -6.238 -6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.851 -7.457 -6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.103 -7.977 -8.538 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.887 -6.248 -8.357 1.00 0.00 H new ATOM 537 N ARG A 38 9.699 -8.500 -3.656 1.00 0.00 N ATOM 538 CA ARG A 38 10.104 -8.920 -2.325 1.00 0.00 C ATOM 539 C ARG A 38 9.380 -10.209 -1.932 1.00 0.00 C ATOM 540 O ARG A 38 10.008 -11.166 -1.483 1.00 0.00 O ATOM 541 CB ARG A 38 9.800 -7.835 -1.289 1.00 0.00 C ATOM 542 CG ARG A 38 9.594 -8.446 0.099 1.00 0.00 C ATOM 543 CD ARG A 38 9.564 -7.360 1.176 1.00 0.00 C ATOM 544 NE ARG A 38 10.204 -7.858 2.414 1.00 0.00 N ATOM 545 CZ ARG A 38 11.512 -8.123 2.530 1.00 0.00 C ATOM 546 NH1 ARG A 38 12.328 -7.940 1.482 1.00 0.00 N ATOM 547 NH2 ARG A 38 12.005 -8.572 3.692 1.00 0.00 N ATOM 0 H ARG A 38 8.812 -7.997 -3.693 1.00 0.00 H new ATOM 0 HA ARG A 38 11.180 -9.096 -2.345 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.620 -7.118 -1.257 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.907 -7.285 -1.585 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.660 -9.008 0.118 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.396 -9.153 0.312 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.083 -6.470 0.821 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.534 -7.068 1.381 1.00 0.00 H new ATOM 0 HE ARG A 38 9.612 -8.009 3.231 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.953 -7.599 0.597 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.324 -8.142 1.570 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.384 -8.712 4.489 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.001 -8.774 3.780 1.00 0.00 H new ATOM 561 N ILE A 39 8.068 -10.191 -2.114 1.00 0.00 N ATOM 562 CA ILE A 39 7.251 -11.347 -1.783 1.00 0.00 C ATOM 563 C ILE A 39 7.362 -12.382 -2.904 1.00 0.00 C ATOM 564 O ILE A 39 7.300 -13.584 -2.652 1.00 0.00 O ATOM 565 CB ILE A 39 5.813 -10.918 -1.483 1.00 0.00 C ATOM 566 CG1 ILE A 39 5.147 -10.325 -2.725 1.00 0.00 C ATOM 567 CG2 ILE A 39 5.765 -9.958 -0.292 1.00 0.00 C ATOM 568 CD1 ILE A 39 3.708 -9.899 -2.425 1.00 0.00 C ATOM 0 H ILE A 39 7.550 -9.395 -2.486 1.00 0.00 H new ATOM 0 HA ILE A 39 7.615 -11.822 -0.872 1.00 0.00 H new ATOM 0 HB ILE A 39 5.243 -11.804 -1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.719 -9.465 -3.074 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.152 -11.059 -3.531 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.732 -9.668 -0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.174 -10.451 0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.355 -9.070 -0.517 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.257 -9.481 -3.325 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.132 -10.766 -2.100 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.708 -9.147 -1.636 1.00 0.00 H new ATOM 580 N GLY A 40 7.525 -11.877 -4.118 1.00 0.00 N ATOM 581 CA GLY A 40 7.646 -12.743 -5.279 1.00 0.00 C ATOM 582 C GLY A 40 6.398 -12.658 -6.159 1.00 0.00 C ATOM 583 O GLY A 40 6.099 -13.585 -6.911 1.00 0.00 O ATOM 0 H GLY A 40 7.576 -10.879 -4.323 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.524 -12.459 -5.859 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.797 -13.773 -4.955 1.00 0.00 H new ATOM 587 N TRP A 41 5.701 -11.538 -6.036 1.00 0.00 N ATOM 588 CA TRP A 41 4.492 -11.319 -6.811 1.00 0.00 C ATOM 589 C TRP A 41 3.436 -12.317 -6.330 1.00 0.00 C ATOM 590 O TRP A 41 2.493 -12.626 -7.057 1.00 0.00 O ATOM 591 CB TRP A 41 4.775 -11.425 -8.311 1.00 0.00 C ATOM 592 CG TRP A 41 5.884 -10.492 -8.802 1.00 0.00 C ATOM 593 CD1 TRP A 41 7.205 -10.604 -8.601 1.00 0.00 C ATOM 594 CD2 TRP A 41 5.715 -9.294 -9.588 1.00 0.00 C ATOM 595 NE1 TRP A 41 7.896 -9.570 -9.199 1.00 0.00 N ATOM 596 CE2 TRP A 41 6.961 -8.748 -9.818 1.00 0.00 C ATOM 597 CE3 TRP A 41 4.547 -8.692 -10.089 1.00 0.00 C ATOM 598 CZ2 TRP A 41 7.160 -7.574 -10.553 1.00 0.00 C ATOM 599 CZ3 TRP A 41 4.763 -7.519 -10.822 1.00 0.00 C ATOM 600 CH2 TRP A 41 6.011 -6.956 -11.062 1.00 0.00 C ATOM 0 H TRP A 41 5.951 -10.772 -5.411 1.00 0.00 H new ATOM 0 HA TRP A 41 4.113 -10.309 -6.657 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.048 -12.453 -8.547 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.859 -11.205 -8.860 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.670 -11.403 -8.042 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.907 -9.434 -9.189 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.562 -9.102 -9.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.146 -7.167 -10.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.899 -7.016 -11.230 1.00 0.00 H new ATOM 0 HH2 TRP A 41 6.094 -6.046 -11.638 1.00 0.00 H new ATOM 611 N ARG A 42 3.630 -12.793 -5.109 1.00 0.00 N ATOM 612 CA ARG A 42 2.706 -13.749 -4.523 1.00 0.00 C ATOM 613 C ARG A 42 2.252 -13.271 -3.143 1.00 0.00 C ATOM 614 O ARG A 42 2.986 -12.564 -2.454 1.00 0.00 O ATOM 615 CB ARG A 42 3.353 -15.129 -4.389 1.00 0.00 C ATOM 616 CG ARG A 42 2.349 -16.239 -4.708 1.00 0.00 C ATOM 617 CD ARG A 42 3.022 -17.613 -4.677 1.00 0.00 C ATOM 618 NE ARG A 42 3.299 -18.009 -3.279 1.00 0.00 N ATOM 619 CZ ARG A 42 4.401 -17.657 -2.602 1.00 0.00 C ATOM 620 NH1 ARG A 42 5.336 -16.900 -3.192 1.00 0.00 N ATOM 621 NH2 ARG A 42 4.568 -18.063 -1.336 1.00 0.00 N ATOM 0 H ARG A 42 4.414 -12.534 -4.509 1.00 0.00 H new ATOM 0 HA ARG A 42 1.844 -13.827 -5.186 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.207 -15.201 -5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.734 -15.259 -3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.532 -16.214 -3.987 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.911 -16.067 -5.691 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.378 -18.353 -5.153 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.951 -17.585 -5.247 1.00 0.00 H new ATOM 0 HE ARG A 42 2.608 -18.586 -2.800 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.209 -16.592 -4.156 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.175 -16.632 -2.677 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.856 -18.640 -0.887 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.407 -17.795 -0.821 1.00 0.00 H new ATOM 635 N ILE A 43 1.043 -13.675 -2.780 1.00 0.00 N ATOM 636 CA ILE A 43 0.482 -13.296 -1.494 1.00 0.00 C ATOM 637 C ILE A 43 0.020 -14.553 -0.754 1.00 0.00 C ATOM 638 O ILE A 43 -0.645 -15.410 -1.334 1.00 0.00 O ATOM 639 CB ILE A 43 -0.619 -12.251 -1.677 1.00 0.00 C ATOM 640 CG1 ILE A 43 -0.031 -10.902 -2.096 1.00 0.00 C ATOM 641 CG2 ILE A 43 -1.480 -12.134 -0.418 1.00 0.00 C ATOM 642 CD1 ILE A 43 -0.461 -10.534 -3.518 1.00 0.00 C ATOM 0 H ILE A 43 0.437 -14.261 -3.354 1.00 0.00 H new ATOM 0 HA ILE A 43 1.241 -12.820 -0.873 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.272 -12.582 -2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.357 -10.128 -1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.057 -10.942 -2.040 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.255 -11.384 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.945 -13.097 -0.204 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.855 -11.838 0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.029 -9.571 -3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.112 -11.298 -4.213 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.548 -10.471 -3.564 1.00 0.00 H new ATOM 654 N GLN A 44 0.391 -14.623 0.516 1.00 0.00 N ATOM 655 CA GLN A 44 0.023 -15.761 1.341 1.00 0.00 C ATOM 656 C GLN A 44 -0.310 -15.301 2.762 1.00 0.00 C ATOM 657 O GLN A 44 -0.130 -14.131 3.097 1.00 0.00 O ATOM 658 CB GLN A 44 1.134 -16.813 1.352 1.00 0.00 C ATOM 659 CG GLN A 44 1.047 -17.715 0.120 1.00 0.00 C ATOM 660 CD GLN A 44 0.969 -19.189 0.524 1.00 0.00 C ATOM 661 OE1 GLN A 44 0.407 -19.551 1.544 1.00 0.00 O ATOM 662 NE2 GLN A 44 1.563 -20.016 -0.332 1.00 0.00 N ATOM 0 H GLN A 44 0.943 -13.910 0.994 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.866 -16.223 0.912 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.106 -16.320 1.378 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.058 -17.418 2.256 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.169 -17.449 -0.469 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.918 -17.554 -0.515 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.016 -19.646 -1.168 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.566 -21.020 -0.153 1.00 0.00 H new ATOM 671 N ARG A 45 -0.790 -16.245 3.558 1.00 0.00 N ATOM 672 CA ARG A 45 -1.151 -15.950 4.935 1.00 0.00 C ATOM 673 C ARG A 45 0.088 -15.532 5.730 1.00 0.00 C ATOM 674 O ARG A 45 -0.027 -15.030 6.846 1.00 0.00 O ATOM 675 CB ARG A 45 -1.794 -17.165 5.607 1.00 0.00 C ATOM 676 CG ARG A 45 -0.936 -18.417 5.416 1.00 0.00 C ATOM 677 CD ARG A 45 -0.643 -19.091 6.757 1.00 0.00 C ATOM 678 NE ARG A 45 -1.267 -20.433 6.796 1.00 0.00 N ATOM 679 CZ ARG A 45 -2.587 -20.645 6.878 1.00 0.00 C ATOM 680 NH1 ARG A 45 -3.431 -19.605 6.931 1.00 0.00 N ATOM 681 NH2 ARG A 45 -3.064 -21.897 6.908 1.00 0.00 N ATOM 0 H ARG A 45 -0.937 -17.214 3.276 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.872 -15.132 4.922 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.925 -16.969 6.671 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.787 -17.333 5.189 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.450 -19.117 4.758 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.001 -18.149 4.927 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.434 -19.177 6.902 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.027 -18.478 7.573 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.653 -21.247 6.758 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.068 -18.652 6.909 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.436 -19.767 6.993 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.422 -22.688 6.868 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.069 -22.058 6.970 1.00 0.00 H new ATOM 695 N GLN A 46 1.245 -15.756 5.123 1.00 0.00 N ATOM 696 CA GLN A 46 2.503 -15.409 5.760 1.00 0.00 C ATOM 697 C GLN A 46 2.842 -13.939 5.502 1.00 0.00 C ATOM 698 O GLN A 46 3.134 -13.193 6.435 1.00 0.00 O ATOM 699 CB GLN A 46 3.632 -16.324 5.280 1.00 0.00 C ATOM 700 CG GLN A 46 3.294 -17.794 5.540 1.00 0.00 C ATOM 701 CD GLN A 46 4.431 -18.494 6.286 1.00 0.00 C ATOM 702 OE1 GLN A 46 5.289 -19.136 5.702 1.00 0.00 O ATOM 703 NE2 GLN A 46 4.390 -18.336 7.606 1.00 0.00 N ATOM 0 H GLN A 46 1.337 -16.174 4.197 1.00 0.00 H new ATOM 0 HA GLN A 46 2.395 -15.553 6.835 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.802 -16.169 4.215 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.558 -16.064 5.792 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.376 -17.862 6.123 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.109 -18.301 4.593 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.644 -17.786 8.031 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.105 -18.765 8.193 1.00 0.00 H new ATOM 712 N ASP A 47 2.791 -13.568 4.231 1.00 0.00 N ATOM 713 CA ASP A 47 3.089 -12.201 3.838 1.00 0.00 C ATOM 714 C ASP A 47 1.985 -11.276 4.353 1.00 0.00 C ATOM 715 O ASP A 47 2.145 -10.056 4.359 1.00 0.00 O ATOM 716 CB ASP A 47 3.146 -12.066 2.315 1.00 0.00 C ATOM 717 CG ASP A 47 4.058 -13.073 1.611 1.00 0.00 C ATOM 718 OD1 ASP A 47 5.287 -12.965 1.814 1.00 0.00 O ATOM 719 OD2 ASP A 47 3.506 -13.928 0.885 1.00 0.00 O ATOM 0 H ASP A 47 2.548 -14.190 3.460 1.00 0.00 H new ATOM 0 HA ASP A 47 4.057 -11.931 4.261 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.137 -12.173 1.918 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.481 -11.059 2.067 1.00 0.00 H new ATOM 724 N ASP A 48 0.889 -11.890 4.774 1.00 0.00 N ATOM 725 CA ASP A 48 -0.241 -11.137 5.289 1.00 0.00 C ATOM 726 C ASP A 48 0.272 -10.001 6.177 1.00 0.00 C ATOM 727 O ASP A 48 -0.205 -8.871 6.083 1.00 0.00 O ATOM 728 CB ASP A 48 -1.154 -12.024 6.137 1.00 0.00 C ATOM 729 CG ASP A 48 -2.494 -12.379 5.489 1.00 0.00 C ATOM 730 OD1 ASP A 48 -2.509 -12.499 4.245 1.00 0.00 O ATOM 731 OD2 ASP A 48 -3.474 -12.521 6.253 1.00 0.00 O ATOM 0 H ASP A 48 0.760 -12.902 4.769 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.803 -10.749 4.440 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.624 -12.948 6.370 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.348 -11.520 7.084 1.00 0.00 H new ATOM 736 N GLU A 49 1.237 -10.341 7.020 1.00 0.00 N ATOM 737 CA GLU A 49 1.819 -9.364 7.924 1.00 0.00 C ATOM 738 C GLU A 49 2.450 -8.217 7.131 1.00 0.00 C ATOM 739 O GLU A 49 2.263 -7.049 7.467 1.00 0.00 O ATOM 740 CB GLU A 49 2.844 -10.018 8.852 1.00 0.00 C ATOM 741 CG GLU A 49 2.290 -10.157 10.271 1.00 0.00 C ATOM 742 CD GLU A 49 3.397 -9.984 11.312 1.00 0.00 C ATOM 743 OE1 GLU A 49 4.249 -9.096 11.092 1.00 0.00 O ATOM 744 OE2 GLU A 49 3.367 -10.743 12.305 1.00 0.00 O ATOM 0 H GLU A 49 1.630 -11.279 7.096 1.00 0.00 H new ATOM 0 HA GLU A 49 1.023 -8.955 8.547 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.114 -11.001 8.466 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.756 -9.421 8.871 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.512 -9.412 10.436 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.825 -11.136 10.389 1.00 0.00 H new ATOM 751 N VAL A 50 3.185 -8.591 6.094 1.00 0.00 N ATOM 752 CA VAL A 50 3.845 -7.609 5.251 1.00 0.00 C ATOM 753 C VAL A 50 2.794 -6.867 4.422 1.00 0.00 C ATOM 754 O VAL A 50 2.910 -5.663 4.201 1.00 0.00 O ATOM 755 CB VAL A 50 4.913 -8.289 4.393 1.00 0.00 C ATOM 756 CG1 VAL A 50 5.861 -7.257 3.778 1.00 0.00 C ATOM 757 CG2 VAL A 50 5.687 -9.330 5.204 1.00 0.00 C ATOM 0 H VAL A 50 3.338 -9.561 5.818 1.00 0.00 H new ATOM 0 HA VAL A 50 4.361 -6.867 5.860 1.00 0.00 H new ATOM 0 HB VAL A 50 4.408 -8.808 3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.611 -7.767 3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.293 -6.570 3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.355 -6.698 4.573 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.440 -9.799 4.570 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.175 -8.844 6.049 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.998 -10.090 5.572 1.00 0.00 H new ATOM 767 N ILE A 51 1.793 -7.617 3.986 1.00 0.00 N ATOM 768 CA ILE A 51 0.723 -7.046 3.186 1.00 0.00 C ATOM 769 C ILE A 51 -0.024 -5.999 4.014 1.00 0.00 C ATOM 770 O ILE A 51 0.022 -4.809 3.705 1.00 0.00 O ATOM 771 CB ILE A 51 -0.179 -8.150 2.632 1.00 0.00 C ATOM 772 CG1 ILE A 51 0.639 -9.200 1.876 1.00 0.00 C ATOM 773 CG2 ILE A 51 -1.296 -7.563 1.766 1.00 0.00 C ATOM 774 CD1 ILE A 51 0.785 -8.824 0.400 1.00 0.00 C ATOM 0 H ILE A 51 1.700 -8.616 4.172 1.00 0.00 H new ATOM 0 HA ILE A 51 1.131 -6.532 2.315 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.654 -8.656 3.473 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.625 -9.294 2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.155 -10.173 1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.923 -8.369 1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.903 -6.884 2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.859 -7.017 0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.370 -9.587 -0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.202 -8.755 -0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.291 -7.862 0.318 1.00 0.00 H new ATOM 786 N GLN A 52 -0.694 -6.480 5.051 1.00 0.00 N ATOM 787 CA GLN A 52 -1.450 -5.600 5.927 1.00 0.00 C ATOM 788 C GLN A 52 -0.564 -4.454 6.420 1.00 0.00 C ATOM 789 O GLN A 52 -1.056 -3.361 6.699 1.00 0.00 O ATOM 790 CB GLN A 52 -2.047 -6.377 7.102 1.00 0.00 C ATOM 791 CG GLN A 52 -2.959 -7.502 6.609 1.00 0.00 C ATOM 792 CD GLN A 52 -4.209 -7.617 7.483 1.00 0.00 C ATOM 793 OE1 GLN A 52 -4.153 -7.979 8.646 1.00 0.00 O ATOM 794 NE2 GLN A 52 -5.337 -7.290 6.858 1.00 0.00 N ATOM 0 H GLN A 52 -0.729 -7.467 5.304 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.277 -5.175 5.358 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.245 -6.795 7.711 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.613 -5.699 7.741 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.250 -7.313 5.576 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.415 -8.447 6.620 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.312 -6.995 5.882 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.227 -7.334 7.355 1.00 0.00 H new ATOM 803 N ARG A 53 0.725 -4.742 6.513 1.00 0.00 N ATOM 804 CA ARG A 53 1.684 -3.750 6.968 1.00 0.00 C ATOM 805 C ARG A 53 1.980 -2.747 5.851 1.00 0.00 C ATOM 806 O ARG A 53 1.847 -1.539 6.044 1.00 0.00 O ATOM 807 CB ARG A 53 2.991 -4.409 7.413 1.00 0.00 C ATOM 808 CG ARG A 53 4.097 -3.367 7.593 1.00 0.00 C ATOM 809 CD ARG A 53 3.765 -2.407 8.737 1.00 0.00 C ATOM 810 NE ARG A 53 4.601 -1.190 8.636 1.00 0.00 N ATOM 811 CZ ARG A 53 4.570 -0.182 9.518 1.00 0.00 C ATOM 812 NH1 ARG A 53 3.744 -0.238 10.571 1.00 0.00 N ATOM 813 NH2 ARG A 53 5.365 0.883 9.347 1.00 0.00 N ATOM 0 H ARG A 53 1.129 -5.649 6.281 1.00 0.00 H new ATOM 0 HA ARG A 53 1.245 -3.231 7.820 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.833 -4.942 8.350 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.300 -5.148 6.674 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.044 -3.868 7.797 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.226 -2.805 6.668 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.710 -2.137 8.701 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.936 -2.897 9.695 1.00 0.00 H new ATOM 0 HE ARG A 53 5.241 -1.114 7.845 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.138 -1.048 10.702 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.721 0.530 11.242 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.994 0.926 8.545 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.341 1.650 10.019 1.00 0.00 H new ATOM 827 N PHE A 54 2.377 -3.285 4.707 1.00 0.00 N ATOM 828 CA PHE A 54 2.693 -2.452 3.559 1.00 0.00 C ATOM 829 C PHE A 54 1.524 -1.528 3.213 1.00 0.00 C ATOM 830 O PHE A 54 1.713 -0.494 2.574 1.00 0.00 O ATOM 831 CB PHE A 54 2.950 -3.394 2.381 1.00 0.00 C ATOM 832 CG PHE A 54 2.863 -2.716 1.012 1.00 0.00 C ATOM 833 CD1 PHE A 54 1.649 -2.406 0.482 1.00 0.00 C ATOM 834 CD2 PHE A 54 3.999 -2.423 0.325 1.00 0.00 C ATOM 835 CE1 PHE A 54 1.568 -1.777 -0.788 1.00 0.00 C ATOM 836 CE2 PHE A 54 3.918 -1.794 -0.946 1.00 0.00 C ATOM 837 CZ PHE A 54 2.705 -1.484 -1.475 1.00 0.00 C ATOM 0 H PHE A 54 2.487 -4.287 4.551 1.00 0.00 H new ATOM 0 HA PHE A 54 3.560 -1.829 3.779 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.939 -3.838 2.493 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.228 -4.210 2.417 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.746 -2.639 1.028 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.963 -2.668 0.746 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.604 -1.531 -1.209 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.820 -1.562 -1.492 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.644 -1.005 -2.441 1.00 0.00 H new ATOM 847 N CYS A 55 0.341 -1.934 3.650 1.00 0.00 N ATOM 848 CA CYS A 55 -0.859 -1.155 3.395 1.00 0.00 C ATOM 849 C CYS A 55 -0.911 -0.007 4.405 1.00 0.00 C ATOM 850 O CYS A 55 -1.602 0.987 4.186 1.00 0.00 O ATOM 851 CB CYS A 55 -2.118 -2.022 3.451 1.00 0.00 C ATOM 852 SG CYS A 55 -3.610 -0.964 3.376 1.00 0.00 S ATOM 0 H CYS A 55 0.188 -2.792 4.179 1.00 0.00 H new ATOM 0 HA CYS A 55 -0.823 -0.747 2.385 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.121 -2.728 2.621 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.124 -2.610 4.369 1.00 0.00 H new ATOM 0 HG CYS A 55 -3.968 -0.806 2.136 1.00 0.00 H new ATOM 858 N GLN A 56 -0.171 -0.182 5.490 1.00 0.00 N ATOM 859 CA GLN A 56 -0.124 0.826 6.535 1.00 0.00 C ATOM 860 C GLN A 56 0.845 1.946 6.149 1.00 0.00 C ATOM 861 O GLN A 56 0.747 3.060 6.660 1.00 0.00 O ATOM 862 CB GLN A 56 0.263 0.206 7.879 1.00 0.00 C ATOM 863 CG GLN A 56 1.744 0.439 8.184 1.00 0.00 C ATOM 864 CD GLN A 56 1.982 1.864 8.688 1.00 0.00 C ATOM 865 OE1 GLN A 56 1.154 2.460 9.358 1.00 0.00 O ATOM 866 NE2 GLN A 56 3.157 2.375 8.330 1.00 0.00 N ATOM 0 H GLN A 56 0.401 -1.007 5.668 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.120 1.255 6.644 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.348 0.638 8.672 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.055 -0.864 7.863 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.082 -0.277 8.933 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.336 0.263 7.286 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.804 1.822 7.768 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.411 3.320 8.617 1.00 0.00 H new ATOM 875 N GLU A 57 1.758 1.611 5.249 1.00 0.00 N ATOM 876 CA GLU A 57 2.743 2.574 4.788 1.00 0.00 C ATOM 877 C GLU A 57 2.289 3.210 3.472 1.00 0.00 C ATOM 878 O GLU A 57 2.581 4.375 3.209 1.00 0.00 O ATOM 879 CB GLU A 57 4.118 1.921 4.636 1.00 0.00 C ATOM 880 CG GLU A 57 4.249 1.229 3.277 1.00 0.00 C ATOM 881 CD GLU A 57 5.682 0.744 3.045 1.00 0.00 C ATOM 882 OE1 GLU A 57 6.541 1.614 2.789 1.00 0.00 O ATOM 883 OE2 GLU A 57 5.884 -0.487 3.130 1.00 0.00 O ATOM 0 H GLU A 57 1.836 0.686 4.827 1.00 0.00 H new ATOM 0 HA GLU A 57 2.832 3.361 5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.897 2.676 4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.270 1.194 5.434 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.563 0.384 3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.962 1.920 2.484 1.00 0.00 H new ATOM 890 N THR A 58 1.582 2.416 2.681 1.00 0.00 N ATOM 891 CA THR A 58 1.085 2.887 1.400 1.00 0.00 C ATOM 892 C THR A 58 -0.387 3.286 1.513 1.00 0.00 C ATOM 893 O THR A 58 -0.745 4.434 1.253 1.00 0.00 O ATOM 894 CB THR A 58 1.339 1.791 0.363 1.00 0.00 C ATOM 895 OG1 THR A 58 0.608 0.671 0.855 1.00 0.00 O ATOM 896 CG2 THR A 58 2.793 1.314 0.359 1.00 0.00 C ATOM 0 H THR A 58 1.342 1.450 2.903 1.00 0.00 H new ATOM 0 HA THR A 58 1.609 3.787 1.079 1.00 0.00 H new ATOM 0 HB THR A 58 1.076 2.161 -0.628 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.227 -0.063 1.051 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.919 0.537 -0.395 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.450 2.152 0.129 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.047 0.913 1.340 1.00 0.00 H new ATOM 904 N GLY A 59 -1.202 2.316 1.901 1.00 0.00 N ATOM 905 CA GLY A 59 -2.628 2.553 2.052 1.00 0.00 C ATOM 906 C GLY A 59 -3.427 1.772 1.007 1.00 0.00 C ATOM 907 O GLY A 59 -4.656 1.829 0.989 1.00 0.00 O ATOM 0 H GLY A 59 -0.902 1.365 2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.945 2.259 3.052 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.836 3.618 1.952 1.00 0.00 H new ATOM 911 N VAL A 60 -2.697 1.060 0.161 1.00 0.00 N ATOM 912 CA VAL A 60 -3.322 0.269 -0.886 1.00 0.00 C ATOM 913 C VAL A 60 -3.961 -0.975 -0.265 1.00 0.00 C ATOM 914 O VAL A 60 -3.409 -1.562 0.664 1.00 0.00 O ATOM 915 CB VAL A 60 -2.297 -0.063 -1.973 1.00 0.00 C ATOM 916 CG1 VAL A 60 -2.881 -1.041 -2.995 1.00 0.00 C ATOM 917 CG2 VAL A 60 -1.791 1.208 -2.656 1.00 0.00 C ATOM 0 H VAL A 60 -1.678 1.014 0.179 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.117 0.835 -1.371 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.445 -0.547 -1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.133 -1.261 -3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.169 -1.964 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.758 -0.595 -3.465 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.064 0.944 -3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.629 1.733 -3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.319 1.855 -1.917 1.00 0.00 H new ATOM 927 N PRO A 61 -5.145 -1.350 -0.819 1.00 0.00 N ATOM 928 CA PRO A 61 -5.865 -2.513 -0.330 1.00 0.00 C ATOM 929 C PRO A 61 -5.197 -3.808 -0.798 1.00 0.00 C ATOM 930 O PRO A 61 -4.691 -3.880 -1.917 1.00 0.00 O ATOM 931 CB PRO A 61 -7.281 -2.350 -0.859 1.00 0.00 C ATOM 932 CG PRO A 61 -7.187 -1.353 -2.002 1.00 0.00 C ATOM 933 CD PRO A 61 -5.827 -0.678 -1.921 1.00 0.00 C ATOM 0 HA PRO A 61 -5.866 -2.581 0.758 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.681 -3.303 -1.204 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.950 -1.987 -0.079 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.306 -1.859 -2.960 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.985 -0.614 -1.930 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.274 -0.787 -2.854 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.926 0.391 -1.732 1.00 0.00 H new ATOM 941 N ARG A 62 -5.217 -4.798 0.081 1.00 0.00 N ATOM 942 CA ARG A 62 -4.620 -6.086 -0.228 1.00 0.00 C ATOM 943 C ARG A 62 -5.144 -6.606 -1.568 1.00 0.00 C ATOM 944 O ARG A 62 -4.364 -6.883 -2.478 1.00 0.00 O ATOM 945 CB ARG A 62 -4.927 -7.112 0.865 1.00 0.00 C ATOM 946 CG ARG A 62 -4.506 -8.518 0.431 1.00 0.00 C ATOM 947 CD ARG A 62 -4.475 -9.474 1.625 1.00 0.00 C ATOM 948 NE ARG A 62 -5.542 -10.491 1.487 1.00 0.00 N ATOM 949 CZ ARG A 62 -6.023 -11.217 2.504 1.00 0.00 C ATOM 950 NH1 ARG A 62 -5.537 -11.044 3.741 1.00 0.00 N ATOM 951 NH2 ARG A 62 -6.991 -12.118 2.286 1.00 0.00 N ATOM 0 H ARG A 62 -5.638 -4.734 1.008 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.541 -5.946 -0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.405 -6.839 1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.993 -7.101 1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.199 -8.893 -0.322 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.521 -8.479 -0.034 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.502 -9.962 1.686 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.610 -8.916 2.552 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.935 -10.648 0.559 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.800 -10.359 3.908 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.904 -11.597 4.515 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.362 -12.251 1.345 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.357 -12.671 3.061 1.00 0.00 H new ATOM 965 N GLN A 63 -6.462 -6.723 -1.647 1.00 0.00 N ATOM 966 CA GLN A 63 -7.099 -7.205 -2.860 1.00 0.00 C ATOM 967 C GLN A 63 -6.490 -6.522 -4.087 1.00 0.00 C ATOM 968 O GLN A 63 -6.345 -7.143 -5.139 1.00 0.00 O ATOM 969 CB GLN A 63 -8.612 -6.989 -2.808 1.00 0.00 C ATOM 970 CG GLN A 63 -9.328 -7.875 -3.830 1.00 0.00 C ATOM 971 CD GLN A 63 -10.663 -7.257 -4.251 1.00 0.00 C ATOM 972 OE1 GLN A 63 -11.171 -6.334 -3.635 1.00 0.00 O ATOM 973 NE2 GLN A 63 -11.201 -7.815 -5.331 1.00 0.00 N ATOM 0 H GLN A 63 -7.106 -6.492 -0.890 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.921 -8.277 -2.939 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -8.981 -7.212 -1.807 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -8.840 -5.942 -3.006 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.694 -8.011 -4.706 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.499 -8.863 -3.403 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.723 -8.585 -5.799 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.092 -7.473 -5.691 1.00 0.00 H new ATOM 982 N VAL A 64 -6.150 -5.254 -3.910 1.00 0.00 N ATOM 983 CA VAL A 64 -5.560 -4.480 -4.990 1.00 0.00 C ATOM 984 C VAL A 64 -4.120 -4.946 -5.217 1.00 0.00 C ATOM 985 O VAL A 64 -3.771 -5.382 -6.313 1.00 0.00 O ATOM 986 CB VAL A 64 -5.663 -2.986 -4.679 1.00 0.00 C ATOM 987 CG1 VAL A 64 -4.499 -2.214 -5.305 1.00 0.00 C ATOM 988 CG2 VAL A 64 -7.007 -2.421 -5.142 1.00 0.00 C ATOM 0 H VAL A 64 -6.271 -4.743 -3.036 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.105 -4.643 -5.920 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.603 -2.864 -3.597 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.596 -1.154 -5.069 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.557 -2.590 -4.906 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.514 -2.347 -6.387 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.054 -1.357 -4.909 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.110 -2.562 -6.218 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.816 -2.941 -4.629 1.00 0.00 H new ATOM 998 N LEU A 65 -3.324 -4.837 -4.164 1.00 0.00 N ATOM 999 CA LEU A 65 -1.930 -5.241 -4.235 1.00 0.00 C ATOM 1000 C LEU A 65 -1.846 -6.682 -4.744 1.00 0.00 C ATOM 1001 O LEU A 65 -0.805 -7.110 -5.240 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.239 -5.024 -2.888 1.00 0.00 C ATOM 1003 CG LEU A 65 0.272 -5.264 -2.862 1.00 0.00 C ATOM 1004 CD1 LEU A 65 0.593 -6.752 -3.016 1.00 0.00 C ATOM 1005 CD2 LEU A 65 0.981 -4.412 -3.916 1.00 0.00 C ATOM 0 H LEU A 65 -3.618 -4.475 -3.257 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.390 -4.618 -4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.430 -4.001 -2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.704 -5.682 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 65 0.651 -4.952 -1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.673 -6.895 -2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.137 -7.309 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.198 -7.113 -3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.054 -4.602 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.604 -4.669 -4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.792 -3.357 -3.718 1.00 0.00 H new ATOM 1017 N LYS A 66 -2.957 -7.391 -4.602 1.00 0.00 N ATOM 1018 CA LYS A 66 -3.023 -8.774 -5.041 1.00 0.00 C ATOM 1019 C LYS A 66 -3.143 -8.816 -6.566 1.00 0.00 C ATOM 1020 O LYS A 66 -2.193 -9.178 -7.257 1.00 0.00 O ATOM 1021 CB LYS A 66 -4.148 -9.514 -4.315 1.00 0.00 C ATOM 1022 CG LYS A 66 -4.148 -11.001 -4.674 1.00 0.00 C ATOM 1023 CD LYS A 66 -4.121 -11.869 -3.414 1.00 0.00 C ATOM 1024 CE LYS A 66 -4.769 -13.231 -3.673 1.00 0.00 C ATOM 1025 NZ LYS A 66 -3.844 -14.324 -3.302 1.00 0.00 N ATOM 0 H LYS A 66 -3.818 -7.033 -4.189 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.105 -9.301 -4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.029 -9.396 -3.238 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.109 -9.072 -4.580 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.034 -11.237 -5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.282 -11.229 -5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.091 -12.009 -3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.646 -11.360 -2.606 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.691 -13.317 -3.099 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.040 -13.317 -4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.299 -15.241 -3.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.975 -14.251 -3.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.606 -14.250 -2.292 1.00 0.00 H new ATOM 1039 N VAL A 67 -4.320 -8.442 -7.045 1.00 0.00 N ATOM 1040 CA VAL A 67 -4.578 -8.432 -8.475 1.00 0.00 C ATOM 1041 C VAL A 67 -3.558 -7.525 -9.166 1.00 0.00 C ATOM 1042 O VAL A 67 -3.115 -7.816 -10.276 1.00 0.00 O ATOM 1043 CB VAL A 67 -6.026 -8.017 -8.743 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -6.319 -7.990 -10.245 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -7.004 -8.936 -8.010 1.00 0.00 C ATOM 0 H VAL A 67 -5.106 -8.143 -6.468 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.459 -9.432 -8.892 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.162 -7.007 -8.357 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.355 -7.692 -10.408 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.655 -7.276 -10.732 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.156 -8.982 -10.665 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.026 -8.619 -8.217 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.866 -9.962 -8.352 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.818 -8.883 -6.937 1.00 0.00 H new ATOM 1055 N TRP A 68 -3.214 -6.444 -8.481 1.00 0.00 N ATOM 1056 CA TRP A 68 -2.255 -5.493 -9.015 1.00 0.00 C ATOM 1057 C TRP A 68 -1.121 -6.283 -9.671 1.00 0.00 C ATOM 1058 O TRP A 68 -0.832 -6.098 -10.852 1.00 0.00 O ATOM 1059 CB TRP A 68 -1.765 -4.537 -7.925 1.00 0.00 C ATOM 1060 CG TRP A 68 -0.707 -3.540 -8.401 1.00 0.00 C ATOM 1061 CD1 TRP A 68 -0.898 -2.355 -8.996 1.00 0.00 C ATOM 1062 CD2 TRP A 68 0.725 -3.691 -8.298 1.00 0.00 C ATOM 1063 NE1 TRP A 68 0.300 -1.733 -9.282 1.00 0.00 N ATOM 1064 CE2 TRP A 68 1.318 -2.571 -8.844 1.00 0.00 C ATOM 1065 CE3 TRP A 68 1.493 -4.739 -7.760 1.00 0.00 C ATOM 1066 CZ2 TRP A 68 2.706 -2.392 -8.906 1.00 0.00 C ATOM 1067 CZ3 TRP A 68 2.878 -4.545 -7.830 1.00 0.00 C ATOM 1068 CH2 TRP A 68 3.491 -3.423 -8.376 1.00 0.00 C ATOM 0 H TRP A 68 -3.583 -6.206 -7.560 1.00 0.00 H new ATOM 0 HA TRP A 68 -2.720 -4.859 -9.770 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.618 -3.985 -7.530 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.354 -5.121 -7.101 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -1.868 -1.939 -9.223 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.417 -0.825 -9.732 1.00 0.00 H new ATOM 0 HE3 TRP A 68 1.050 -5.624 -7.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 3.147 -1.506 -9.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.515 -5.321 -7.432 1.00 0.00 H new ATOM 0 HH2 TRP A 68 4.568 -3.347 -8.391 1.00 0.00 H new ATOM 1079 N LEU A 69 -0.507 -7.148 -8.876 1.00 0.00 N ATOM 1080 CA LEU A 69 0.589 -7.967 -9.364 1.00 0.00 C ATOM 1081 C LEU A 69 0.184 -8.615 -10.689 1.00 0.00 C ATOM 1082 O LEU A 69 0.865 -8.449 -11.700 1.00 0.00 O ATOM 1083 CB LEU A 69 1.025 -8.971 -8.296 1.00 0.00 C ATOM 1084 CG LEU A 69 1.330 -8.390 -6.914 1.00 0.00 C ATOM 1085 CD1 LEU A 69 0.973 -9.386 -5.809 1.00 0.00 C ATOM 1086 CD2 LEU A 69 2.787 -7.931 -6.822 1.00 0.00 C ATOM 0 H LEU A 69 -0.748 -7.299 -7.897 1.00 0.00 H new ATOM 0 HA LEU A 69 1.465 -7.351 -9.565 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.241 -9.720 -8.188 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.914 -9.490 -8.655 1.00 0.00 H new ATOM 0 HG LEU A 69 0.704 -7.509 -6.768 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.200 -8.948 -4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.090 -9.622 -5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.554 -10.299 -5.940 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.978 -7.522 -5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.448 -8.780 -6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.975 -7.164 -7.573 1.00 0.00 H new