USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=5 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+ -129:sc= -0.0396 (180deg=-0.714) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.813! USER MOD Single : A 28 GLN : amide:sc= -7.28! C(o=-7.3!,f=-9.2!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -140:sc= -11! (180deg=-16.5!) USER MOD Single : A 44 GLN : amide:sc= -0.0127 X(o=-0.013,f=-0.0012) USER MOD Single : A 46 GLN : amide:sc= -0.0815 X(o=-0.082,f=-0.57) USER MOD Single : A 52 GLN : amide:sc= -0.0696 X(o=-0.07,f=0) USER MOD Single : A 55 CYS SG : rot -32:sc= -1.41! USER MOD Single : A 56 GLN : amide:sc= -4.45! C(o=-4.4!,f=-7!) USER MOD Single : A 58 THR OG1 : rot -156:sc= 0.979 USER MOD Single : A 63 GLN : amide:sc= -0.0174 X(o=-0.017,f=-0.39) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 288 N LYS A 23 -4.810 4.669 -8.295 1.00 0.00 N ATOM 289 CA LYS A 23 -3.913 5.682 -8.825 1.00 0.00 C ATOM 290 C LYS A 23 -2.547 5.551 -8.148 1.00 0.00 C ATOM 291 O LYS A 23 -2.156 6.410 -7.360 1.00 0.00 O ATOM 292 CB LYS A 23 -4.535 7.073 -8.690 1.00 0.00 C ATOM 293 CG LYS A 23 -4.761 7.708 -10.064 1.00 0.00 C ATOM 294 CD LYS A 23 -3.476 8.350 -10.589 1.00 0.00 C ATOM 295 CE LYS A 23 -3.325 9.780 -10.067 1.00 0.00 C ATOM 296 NZ LYS A 23 -2.403 9.815 -8.909 1.00 0.00 N ATOM 0 HA LYS A 23 -3.757 5.531 -9.893 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.484 7.001 -8.158 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.883 7.711 -8.093 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.106 6.950 -10.767 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.546 8.461 -9.996 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.616 7.754 -10.282 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.487 8.356 -11.679 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.947 10.425 -10.860 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.299 10.172 -9.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.854 10.323 -8.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.182 8.843 -8.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.525 10.303 -9.179 1.00 0.00 H new ATOM 310 N PHE A 24 -1.859 4.469 -8.481 1.00 0.00 N ATOM 311 CA PHE A 24 -0.545 4.215 -7.916 1.00 0.00 C ATOM 312 C PHE A 24 0.498 5.169 -8.501 1.00 0.00 C ATOM 313 O PHE A 24 0.765 5.142 -9.702 1.00 0.00 O ATOM 314 CB PHE A 24 -0.169 2.778 -8.285 1.00 0.00 C ATOM 315 CG PHE A 24 -1.330 1.787 -8.189 1.00 0.00 C ATOM 316 CD1 PHE A 24 -2.023 1.662 -7.025 1.00 0.00 C ATOM 317 CD2 PHE A 24 -1.669 1.030 -9.266 1.00 0.00 C ATOM 318 CE1 PHE A 24 -3.100 0.742 -6.935 1.00 0.00 C ATOM 319 CE2 PHE A 24 -2.747 0.109 -9.177 1.00 0.00 C ATOM 320 CZ PHE A 24 -3.440 -0.015 -8.013 1.00 0.00 C ATOM 0 H PHE A 24 -2.187 3.758 -9.135 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.569 4.365 -6.837 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.223 2.766 -9.302 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.635 2.444 -7.630 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.754 2.263 -6.169 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.118 1.129 -10.190 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.650 0.643 -6.011 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.016 -0.492 -10.033 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.260 -0.714 -7.945 1.00 0.00 H new ATOM 330 N THR A 25 1.060 5.990 -7.626 1.00 0.00 N ATOM 331 CA THR A 25 2.068 6.951 -8.041 1.00 0.00 C ATOM 332 C THR A 25 3.464 6.332 -7.949 1.00 0.00 C ATOM 333 O THR A 25 3.628 5.236 -7.415 1.00 0.00 O ATOM 334 CB THR A 25 1.903 8.208 -7.185 1.00 0.00 C ATOM 335 OG1 THR A 25 3.157 8.874 -7.300 1.00 0.00 O ATOM 336 CG2 THR A 25 1.785 7.890 -5.693 1.00 0.00 C ATOM 0 H THR A 25 0.836 6.010 -6.631 1.00 0.00 H new ATOM 0 HA THR A 25 1.940 7.233 -9.086 1.00 0.00 H new ATOM 0 HB THR A 25 1.018 8.754 -7.510 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.137 9.702 -6.776 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.670 8.817 -5.131 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.917 7.253 -5.524 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.684 7.373 -5.359 1.00 0.00 H new ATOM 344 N ALA A 26 4.436 7.062 -8.477 1.00 0.00 N ATOM 345 CA ALA A 26 5.813 6.599 -8.461 1.00 0.00 C ATOM 346 C ALA A 26 6.101 5.916 -7.123 1.00 0.00 C ATOM 347 O ALA A 26 6.817 4.916 -7.074 1.00 0.00 O ATOM 348 CB ALA A 26 6.751 7.778 -8.728 1.00 0.00 C ATOM 0 H ALA A 26 4.297 7.971 -8.919 1.00 0.00 H new ATOM 0 HA ALA A 26 5.980 5.864 -9.249 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.784 7.431 -8.716 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.524 8.210 -9.703 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.613 8.535 -7.955 1.00 0.00 H new ATOM 354 N GLU A 27 5.529 6.482 -6.071 1.00 0.00 N ATOM 355 CA GLU A 27 5.716 5.940 -4.735 1.00 0.00 C ATOM 356 C GLU A 27 5.062 4.561 -4.626 1.00 0.00 C ATOM 357 O GLU A 27 5.752 3.548 -4.530 1.00 0.00 O ATOM 358 CB GLU A 27 5.165 6.894 -3.674 1.00 0.00 C ATOM 359 CG GLU A 27 6.129 7.015 -2.492 1.00 0.00 C ATOM 360 CD GLU A 27 5.477 7.761 -1.326 1.00 0.00 C ATOM 361 OE1 GLU A 27 5.151 8.951 -1.526 1.00 0.00 O ATOM 362 OE2 GLU A 27 5.319 7.124 -0.263 1.00 0.00 O ATOM 0 H GLU A 27 4.936 7.310 -6.116 1.00 0.00 H new ATOM 0 HA GLU A 27 6.785 5.829 -4.555 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.999 7.877 -4.115 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.198 6.534 -3.324 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.437 6.021 -2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.031 7.541 -2.806 1.00 0.00 H new ATOM 369 N GLN A 28 3.737 4.567 -4.645 1.00 0.00 N ATOM 370 CA GLN A 28 2.981 3.330 -4.549 1.00 0.00 C ATOM 371 C GLN A 28 3.513 2.305 -5.552 1.00 0.00 C ATOM 372 O GLN A 28 3.730 1.145 -5.204 1.00 0.00 O ATOM 373 CB GLN A 28 1.487 3.582 -4.761 1.00 0.00 C ATOM 374 CG GLN A 28 0.947 4.577 -3.732 1.00 0.00 C ATOM 375 CD GLN A 28 0.956 3.972 -2.327 1.00 0.00 C ATOM 376 OE1 GLN A 28 -0.053 3.515 -1.814 1.00 0.00 O ATOM 377 NE2 GLN A 28 2.147 3.993 -1.736 1.00 0.00 N ATOM 0 H GLN A 28 3.168 5.409 -4.726 1.00 0.00 H new ATOM 0 HA GLN A 28 3.108 2.926 -3.545 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.319 3.966 -5.767 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.941 2.642 -4.684 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.552 5.484 -3.745 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.069 4.868 -4.000 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.951 4.391 -2.222 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.257 3.611 -0.796 1.00 0.00 H new ATOM 386 N LYS A 29 3.707 2.769 -6.778 1.00 0.00 N ATOM 387 CA LYS A 29 4.209 1.906 -7.834 1.00 0.00 C ATOM 388 C LYS A 29 5.511 1.248 -7.373 1.00 0.00 C ATOM 389 O LYS A 29 5.625 0.023 -7.374 1.00 0.00 O ATOM 390 CB LYS A 29 4.345 2.686 -9.143 1.00 0.00 C ATOM 391 CG LYS A 29 3.311 2.218 -10.170 1.00 0.00 C ATOM 392 CD LYS A 29 3.832 2.405 -11.596 1.00 0.00 C ATOM 393 CE LYS A 29 2.911 3.326 -12.399 1.00 0.00 C ATOM 394 NZ LYS A 29 3.703 4.206 -13.287 1.00 0.00 N ATOM 0 H LYS A 29 3.526 3.731 -7.064 1.00 0.00 H new ATOM 0 HA LYS A 29 3.501 1.103 -8.039 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.216 3.751 -8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.349 2.554 -9.546 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.074 1.168 -10.000 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.385 2.779 -10.041 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.837 2.825 -11.568 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.905 1.436 -12.090 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.218 2.729 -12.992 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.310 3.931 -11.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.062 4.824 -13.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.347 4.789 -12.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.258 3.624 -13.947 1.00 0.00 H new ATOM 408 N GLU A 30 6.459 2.089 -6.990 1.00 0.00 N ATOM 409 CA GLU A 30 7.749 1.604 -6.528 1.00 0.00 C ATOM 410 C GLU A 30 7.577 0.768 -5.258 1.00 0.00 C ATOM 411 O GLU A 30 8.233 -0.259 -5.093 1.00 0.00 O ATOM 412 CB GLU A 30 8.719 2.763 -6.294 1.00 0.00 C ATOM 413 CG GLU A 30 9.186 3.364 -7.621 1.00 0.00 C ATOM 414 CD GLU A 30 10.710 3.301 -7.745 1.00 0.00 C ATOM 415 OE1 GLU A 30 11.270 2.261 -7.336 1.00 0.00 O ATOM 416 OE2 GLU A 30 11.280 4.294 -8.246 1.00 0.00 O ATOM 0 H GLU A 30 6.360 3.104 -6.990 1.00 0.00 H new ATOM 0 HA GLU A 30 8.175 0.968 -7.304 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.234 3.532 -5.693 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.581 2.412 -5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.727 2.825 -8.450 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.854 4.400 -7.692 1.00 0.00 H new ATOM 423 N ARG A 31 6.690 1.239 -4.393 1.00 0.00 N ATOM 424 CA ARG A 31 6.423 0.547 -3.144 1.00 0.00 C ATOM 425 C ARG A 31 5.909 -0.867 -3.419 1.00 0.00 C ATOM 426 O ARG A 31 6.394 -1.833 -2.833 1.00 0.00 O ATOM 427 CB ARG A 31 5.392 1.304 -2.305 1.00 0.00 C ATOM 428 CG ARG A 31 5.900 2.700 -1.939 1.00 0.00 C ATOM 429 CD ARG A 31 6.336 2.758 -0.473 1.00 0.00 C ATOM 430 NE ARG A 31 7.813 2.769 -0.385 1.00 0.00 N ATOM 431 CZ ARG A 31 8.573 1.665 -0.360 1.00 0.00 C ATOM 432 NH1 ARG A 31 7.999 0.456 -0.416 1.00 0.00 N ATOM 433 NH2 ARG A 31 9.906 1.771 -0.278 1.00 0.00 N ATOM 0 H ARG A 31 6.147 2.091 -4.533 1.00 0.00 H new ATOM 0 HA ARG A 31 7.359 0.494 -2.588 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.457 1.387 -2.860 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.175 0.743 -1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.739 2.966 -2.582 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.115 3.435 -2.118 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.928 3.651 0.001 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.938 1.900 0.068 1.00 0.00 H new ATOM 0 HE ARG A 31 8.282 3.673 -0.341 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.984 0.376 -0.478 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.577 -0.384 -0.397 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.343 2.692 -0.235 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.484 0.931 -0.259 1.00 0.00 H new ATOM 447 N MET A 32 4.932 -0.944 -4.311 1.00 0.00 N ATOM 448 CA MET A 32 4.346 -2.224 -4.670 1.00 0.00 C ATOM 449 C MET A 32 5.349 -3.090 -5.435 1.00 0.00 C ATOM 450 O MET A 32 5.500 -4.275 -5.143 1.00 0.00 O ATOM 451 CB MET A 32 3.106 -1.992 -5.537 1.00 0.00 C ATOM 452 CG MET A 32 1.985 -1.338 -4.726 1.00 0.00 C ATOM 453 SD MET A 32 0.429 -1.517 -5.581 1.00 0.00 S ATOM 454 CE MET A 32 -0.175 0.160 -5.479 1.00 0.00 C ATOM 0 H MET A 32 4.532 -0.141 -4.796 1.00 0.00 H new ATOM 0 HA MET A 32 4.068 -2.746 -3.754 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.364 -1.358 -6.385 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.759 -2.942 -5.944 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.922 -1.798 -3.740 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.205 -0.282 -4.572 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.246 0.149 -5.277 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.341 0.684 -4.675 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.011 0.672 -6.423 1.00 0.00 H new ATOM 464 N LEU A 33 6.008 -2.465 -6.400 1.00 0.00 N ATOM 465 CA LEU A 33 6.992 -3.164 -7.209 1.00 0.00 C ATOM 466 C LEU A 33 8.120 -3.669 -6.308 1.00 0.00 C ATOM 467 O LEU A 33 8.619 -4.777 -6.494 1.00 0.00 O ATOM 468 CB LEU A 33 7.472 -2.273 -8.356 1.00 0.00 C ATOM 469 CG LEU A 33 6.860 -2.560 -9.729 1.00 0.00 C ATOM 470 CD1 LEU A 33 6.263 -1.290 -10.339 1.00 0.00 C ATOM 471 CD2 LEU A 33 7.883 -3.216 -10.659 1.00 0.00 C ATOM 0 H LEU A 33 5.880 -1.482 -6.640 1.00 0.00 H new ATOM 0 HA LEU A 33 6.546 -4.039 -7.682 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.262 -1.235 -8.096 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.555 -2.369 -8.436 1.00 0.00 H new ATOM 0 HG LEU A 33 6.043 -3.269 -9.597 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.835 -1.521 -11.314 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.483 -0.903 -9.683 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.045 -0.540 -10.455 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.423 -3.409 -11.628 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.736 -2.550 -10.789 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.220 -4.157 -10.223 1.00 0.00 H new ATOM 483 N ALA A 34 8.490 -2.830 -5.351 1.00 0.00 N ATOM 484 CA ALA A 34 9.551 -3.177 -4.421 1.00 0.00 C ATOM 485 C ALA A 34 9.078 -4.316 -3.516 1.00 0.00 C ATOM 486 O ALA A 34 9.886 -5.107 -3.033 1.00 0.00 O ATOM 487 CB ALA A 34 9.962 -1.935 -3.628 1.00 0.00 C ATOM 0 H ALA A 34 8.074 -1.911 -5.200 1.00 0.00 H new ATOM 0 HA ALA A 34 10.432 -3.527 -4.958 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.758 -2.196 -2.930 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.318 -1.167 -4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.103 -1.557 -3.074 1.00 0.00 H new ATOM 493 N LEU A 35 7.769 -4.364 -3.314 1.00 0.00 N ATOM 494 CA LEU A 35 7.178 -5.393 -2.476 1.00 0.00 C ATOM 495 C LEU A 35 6.996 -6.671 -3.297 1.00 0.00 C ATOM 496 O LEU A 35 7.438 -7.744 -2.889 1.00 0.00 O ATOM 497 CB LEU A 35 5.885 -4.885 -1.834 1.00 0.00 C ATOM 498 CG LEU A 35 5.023 -5.939 -1.137 1.00 0.00 C ATOM 499 CD1 LEU A 35 5.404 -6.071 0.339 1.00 0.00 C ATOM 500 CD2 LEU A 35 3.534 -5.638 -1.320 1.00 0.00 C ATOM 0 H LEU A 35 7.101 -3.706 -3.717 1.00 0.00 H new ATOM 0 HA LEU A 35 7.843 -5.638 -1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.142 -4.115 -1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.284 -4.405 -2.606 1.00 0.00 H new ATOM 0 HG LEU A 35 5.217 -6.903 -1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.776 -6.827 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.450 -6.367 0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.258 -5.114 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.944 -6.402 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.305 -4.662 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.291 -5.635 -2.383 1.00 0.00 H new ATOM 512 N ALA A 36 6.344 -6.514 -4.440 1.00 0.00 N ATOM 513 CA ALA A 36 6.097 -7.642 -5.322 1.00 0.00 C ATOM 514 C ALA A 36 7.430 -8.296 -5.691 1.00 0.00 C ATOM 515 O ALA A 36 7.459 -9.431 -6.165 1.00 0.00 O ATOM 516 CB ALA A 36 5.320 -7.169 -6.552 1.00 0.00 C ATOM 0 H ALA A 36 5.979 -5.622 -4.776 1.00 0.00 H new ATOM 0 HA ALA A 36 5.487 -8.394 -4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.135 -8.016 -7.213 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.369 -6.739 -6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.902 -6.415 -7.082 1.00 0.00 H new ATOM 522 N GLU A 37 8.502 -7.553 -5.458 1.00 0.00 N ATOM 523 CA GLU A 37 9.835 -8.046 -5.760 1.00 0.00 C ATOM 524 C GLU A 37 10.452 -8.700 -4.522 1.00 0.00 C ATOM 525 O GLU A 37 11.521 -9.304 -4.602 1.00 0.00 O ATOM 526 CB GLU A 37 10.729 -6.923 -6.290 1.00 0.00 C ATOM 527 CG GLU A 37 10.523 -6.720 -7.792 1.00 0.00 C ATOM 528 CD GLU A 37 11.797 -6.189 -8.453 1.00 0.00 C ATOM 529 OE1 GLU A 37 11.983 -4.954 -8.414 1.00 0.00 O ATOM 530 OE2 GLU A 37 12.555 -7.030 -8.982 1.00 0.00 O ATOM 0 H GLU A 37 8.474 -6.613 -5.063 1.00 0.00 H new ATOM 0 HA GLU A 37 9.753 -8.800 -6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.507 -5.996 -5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.774 -7.161 -6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.236 -7.664 -8.254 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.704 -6.021 -7.959 1.00 0.00 H new ATOM 537 N ARG A 38 9.753 -8.557 -3.406 1.00 0.00 N ATOM 538 CA ARG A 38 10.218 -9.127 -2.153 1.00 0.00 C ATOM 539 C ARG A 38 9.374 -10.347 -1.778 1.00 0.00 C ATOM 540 O ARG A 38 9.761 -11.132 -0.914 1.00 0.00 O ATOM 541 CB ARG A 38 10.148 -8.100 -1.021 1.00 0.00 C ATOM 542 CG ARG A 38 8.750 -8.064 -0.400 1.00 0.00 C ATOM 543 CD ARG A 38 8.759 -8.673 1.004 1.00 0.00 C ATOM 544 NE ARG A 38 8.395 -7.645 2.004 1.00 0.00 N ATOM 545 CZ ARG A 38 9.268 -6.793 2.557 1.00 0.00 C ATOM 546 NH1 ARG A 38 10.562 -6.841 2.211 1.00 0.00 N ATOM 547 NH2 ARG A 38 8.849 -5.893 3.457 1.00 0.00 N ATOM 0 H ARG A 38 8.868 -8.054 -3.343 1.00 0.00 H new ATOM 0 HA ARG A 38 11.256 -9.428 -2.292 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.884 -8.346 -0.255 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.405 -7.113 -1.404 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.396 -7.034 -0.352 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.052 -8.612 -1.034 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.056 -9.505 1.053 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.746 -9.076 1.228 1.00 0.00 H new ATOM 0 HE ARG A 38 7.418 -7.581 2.290 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.882 -7.526 1.527 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.227 -6.192 2.632 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.865 -5.856 3.721 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.515 -5.245 3.878 1.00 0.00 H new ATOM 561 N ILE A 39 8.237 -10.468 -2.447 1.00 0.00 N ATOM 562 CA ILE A 39 7.335 -11.579 -2.196 1.00 0.00 C ATOM 563 C ILE A 39 7.339 -12.517 -3.404 1.00 0.00 C ATOM 564 O ILE A 39 7.187 -13.728 -3.255 1.00 0.00 O ATOM 565 CB ILE A 39 5.944 -11.065 -1.819 1.00 0.00 C ATOM 566 CG1 ILE A 39 5.355 -10.206 -2.940 1.00 0.00 C ATOM 567 CG2 ILE A 39 5.978 -10.320 -0.483 1.00 0.00 C ATOM 568 CD1 ILE A 39 3.963 -9.696 -2.565 1.00 0.00 C ATOM 0 H ILE A 39 7.920 -9.815 -3.163 1.00 0.00 H new ATOM 0 HA ILE A 39 7.676 -12.161 -1.340 1.00 0.00 H new ATOM 0 HB ILE A 39 5.285 -11.924 -1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.014 -9.361 -3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.297 -10.790 -3.859 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.977 -9.965 -0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.326 -10.993 0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.656 -9.470 -0.558 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.567 -9.088 -3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.300 -10.543 -2.389 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.028 -9.092 -1.660 1.00 0.00 H new ATOM 580 N GLY A 40 7.513 -11.921 -4.575 1.00 0.00 N ATOM 581 CA GLY A 40 7.538 -12.688 -5.809 1.00 0.00 C ATOM 582 C GLY A 40 6.292 -12.410 -6.652 1.00 0.00 C ATOM 583 O GLY A 40 5.927 -13.213 -7.510 1.00 0.00 O ATOM 0 H GLY A 40 7.638 -10.916 -4.695 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.432 -12.436 -6.380 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.596 -13.752 -5.579 1.00 0.00 H new ATOM 587 N TRP A 41 5.674 -11.271 -6.379 1.00 0.00 N ATOM 588 CA TRP A 41 4.477 -10.877 -7.102 1.00 0.00 C ATOM 589 C TRP A 41 3.355 -11.845 -6.723 1.00 0.00 C ATOM 590 O TRP A 41 2.550 -12.230 -7.569 1.00 0.00 O ATOM 591 CB TRP A 41 4.738 -10.825 -8.609 1.00 0.00 C ATOM 592 CG TRP A 41 5.830 -9.834 -9.018 1.00 0.00 C ATOM 593 CD1 TRP A 41 7.147 -9.916 -8.787 1.00 0.00 C ATOM 594 CD2 TRP A 41 5.642 -8.600 -9.743 1.00 0.00 C ATOM 595 NE1 TRP A 41 7.820 -8.829 -9.309 1.00 0.00 N ATOM 596 CE2 TRP A 41 6.876 -8.004 -9.908 1.00 0.00 C ATOM 597 CE3 TRP A 41 4.469 -8.008 -10.243 1.00 0.00 C ATOM 598 CZ2 TRP A 41 7.055 -6.785 -10.574 1.00 0.00 C ATOM 599 CZ3 TRP A 41 4.666 -6.790 -10.906 1.00 0.00 C ATOM 600 CH2 TRP A 41 5.901 -6.177 -11.080 1.00 0.00 C ATOM 0 H TRP A 41 5.980 -10.608 -5.667 1.00 0.00 H new ATOM 0 HA TRP A 41 4.174 -9.867 -6.824 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.018 -11.821 -8.953 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.812 -10.560 -9.119 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.622 -10.730 -8.259 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.825 -8.662 -9.263 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.494 -8.457 -10.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.031 -6.338 -10.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.797 -6.292 -11.310 1.00 0.00 H new ATOM 0 HH2 TRP A 41 5.970 -5.235 -11.604 1.00 0.00 H new ATOM 611 N ARG A 42 3.339 -12.212 -5.450 1.00 0.00 N ATOM 612 CA ARG A 42 2.329 -13.129 -4.948 1.00 0.00 C ATOM 613 C ARG A 42 1.921 -12.742 -3.525 1.00 0.00 C ATOM 614 O ARG A 42 2.483 -11.814 -2.945 1.00 0.00 O ATOM 615 CB ARG A 42 2.843 -14.570 -4.950 1.00 0.00 C ATOM 616 CG ARG A 42 3.750 -14.830 -3.746 1.00 0.00 C ATOM 617 CD ARG A 42 4.274 -16.267 -3.754 1.00 0.00 C ATOM 618 NE ARG A 42 5.153 -16.479 -4.926 1.00 0.00 N ATOM 619 CZ ARG A 42 5.903 -17.573 -5.114 1.00 0.00 C ATOM 620 NH1 ARG A 42 5.886 -18.561 -4.209 1.00 0.00 N ATOM 621 NH2 ARG A 42 6.670 -17.680 -6.208 1.00 0.00 N ATOM 0 H ARG A 42 4.009 -11.891 -4.751 1.00 0.00 H new ATOM 0 HA ARG A 42 1.464 -13.063 -5.608 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.000 -15.261 -4.931 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.392 -14.763 -5.872 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.588 -14.133 -3.761 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.198 -14.645 -2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.825 -16.467 -2.835 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.439 -16.967 -3.784 1.00 0.00 H new ATOM 0 HE ARG A 42 5.190 -15.746 -5.635 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.302 -18.480 -3.377 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.457 -19.394 -4.352 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.683 -16.928 -6.897 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.241 -18.513 -6.351 1.00 0.00 H new ATOM 635 N ILE A 43 0.947 -13.473 -3.004 1.00 0.00 N ATOM 636 CA ILE A 43 0.458 -13.218 -1.660 1.00 0.00 C ATOM 637 C ILE A 43 0.218 -14.550 -0.947 1.00 0.00 C ATOM 638 O ILE A 43 -0.217 -15.520 -1.566 1.00 0.00 O ATOM 639 CB ILE A 43 -0.775 -12.312 -1.701 1.00 0.00 C ATOM 640 CG1 ILE A 43 -0.403 -10.899 -2.154 1.00 0.00 C ATOM 641 CG2 ILE A 43 -1.499 -12.310 -0.353 1.00 0.00 C ATOM 642 CD1 ILE A 43 -1.567 -10.236 -2.893 1.00 0.00 C ATOM 0 H ILE A 43 0.483 -14.242 -3.488 1.00 0.00 H new ATOM 0 HA ILE A 43 1.205 -12.676 -1.080 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.469 -12.714 -2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.127 -10.297 -1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.470 -10.940 -2.805 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.371 -11.659 -0.409 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.818 -13.323 -0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.824 -11.946 0.422 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.276 -9.233 -3.204 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.825 -10.828 -3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.431 -10.174 -2.231 1.00 0.00 H new ATOM 654 N GLN A 44 0.513 -14.556 0.344 1.00 0.00 N ATOM 655 CA GLN A 44 0.336 -15.754 1.148 1.00 0.00 C ATOM 656 C GLN A 44 0.026 -15.379 2.598 1.00 0.00 C ATOM 657 O GLN A 44 -0.040 -14.198 2.938 1.00 0.00 O ATOM 658 CB GLN A 44 1.568 -16.657 1.065 1.00 0.00 C ATOM 659 CG GLN A 44 1.583 -17.446 -0.245 1.00 0.00 C ATOM 660 CD GLN A 44 2.115 -18.864 -0.025 1.00 0.00 C ATOM 661 OE1 GLN A 44 1.497 -19.694 0.620 1.00 0.00 O ATOM 662 NE2 GLN A 44 3.295 -19.093 -0.596 1.00 0.00 N ATOM 0 H GLN A 44 0.874 -13.750 0.854 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.510 -16.314 0.750 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.472 -16.052 1.140 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.575 -17.347 1.909 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.575 -17.492 -0.658 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.204 -16.930 -0.977 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.759 -18.353 -1.123 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.736 -20.009 -0.507 1.00 0.00 H new ATOM 671 N ARG A 45 -0.154 -16.406 3.416 1.00 0.00 N ATOM 672 CA ARG A 45 -0.455 -16.199 4.822 1.00 0.00 C ATOM 673 C ARG A 45 0.826 -15.885 5.598 1.00 0.00 C ATOM 674 O ARG A 45 0.793 -15.721 6.817 1.00 0.00 O ATOM 675 CB ARG A 45 -1.121 -17.435 5.430 1.00 0.00 C ATOM 676 CG ARG A 45 -1.539 -17.175 6.879 1.00 0.00 C ATOM 677 CD ARG A 45 -0.592 -17.874 7.857 1.00 0.00 C ATOM 678 NE ARG A 45 -0.380 -17.025 9.050 1.00 0.00 N ATOM 679 CZ ARG A 45 0.514 -17.291 10.012 1.00 0.00 C ATOM 680 NH1 ARG A 45 1.285 -18.383 9.927 1.00 0.00 N ATOM 681 NH2 ARG A 45 0.637 -16.464 11.060 1.00 0.00 N ATOM 0 H ARG A 45 -0.097 -17.384 3.132 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.143 -15.357 4.894 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.995 -17.709 4.839 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.433 -18.279 5.392 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.542 -16.103 7.074 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.557 -17.530 7.037 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.009 -18.836 8.155 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.362 -18.077 7.370 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.950 -16.185 9.146 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.192 -19.012 9.130 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.965 -18.585 10.659 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.050 -15.632 11.125 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.318 -16.666 11.792 1.00 0.00 H new ATOM 695 N GLN A 46 1.923 -15.810 4.860 1.00 0.00 N ATOM 696 CA GLN A 46 3.213 -15.519 5.464 1.00 0.00 C ATOM 697 C GLN A 46 3.596 -14.059 5.216 1.00 0.00 C ATOM 698 O GLN A 46 4.261 -13.439 6.045 1.00 0.00 O ATOM 699 CB GLN A 46 4.292 -16.466 4.937 1.00 0.00 C ATOM 700 CG GLN A 46 3.914 -17.926 5.197 1.00 0.00 C ATOM 701 CD GLN A 46 4.988 -18.630 6.030 1.00 0.00 C ATOM 702 OE1 GLN A 46 6.176 -18.389 5.890 1.00 0.00 O ATOM 703 NE2 GLN A 46 4.505 -19.511 6.901 1.00 0.00 N ATOM 0 H GLN A 46 1.946 -15.946 3.849 1.00 0.00 H new ATOM 0 HA GLN A 46 3.133 -15.677 6.540 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.430 -16.307 3.867 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.244 -16.242 5.418 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.957 -17.971 5.718 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.785 -18.447 4.248 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.499 -19.664 6.967 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.141 -20.034 7.504 1.00 0.00 H new ATOM 712 N ASP A 47 3.161 -13.551 4.072 1.00 0.00 N ATOM 713 CA ASP A 47 3.451 -12.176 3.705 1.00 0.00 C ATOM 714 C ASP A 47 2.353 -11.263 4.256 1.00 0.00 C ATOM 715 O ASP A 47 2.500 -10.042 4.259 1.00 0.00 O ATOM 716 CB ASP A 47 3.487 -12.007 2.185 1.00 0.00 C ATOM 717 CG ASP A 47 4.437 -12.956 1.451 1.00 0.00 C ATOM 718 OD1 ASP A 47 4.059 -14.139 1.308 1.00 0.00 O ATOM 719 OD2 ASP A 47 5.520 -12.477 1.050 1.00 0.00 O ATOM 0 H ASP A 47 2.610 -14.068 3.387 1.00 0.00 H new ATOM 0 HA ASP A 47 4.424 -11.915 4.120 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.480 -12.152 1.794 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.774 -10.981 1.955 1.00 0.00 H new ATOM 724 N ASP A 48 1.278 -11.891 4.708 1.00 0.00 N ATOM 725 CA ASP A 48 0.156 -11.151 5.260 1.00 0.00 C ATOM 726 C ASP A 48 0.683 -10.000 6.120 1.00 0.00 C ATOM 727 O ASP A 48 0.479 -8.832 5.792 1.00 0.00 O ATOM 728 CB ASP A 48 -0.711 -12.046 6.149 1.00 0.00 C ATOM 729 CG ASP A 48 -1.855 -12.760 5.427 1.00 0.00 C ATOM 730 OD1 ASP A 48 -1.878 -12.680 4.180 1.00 0.00 O ATOM 731 OD2 ASP A 48 -2.682 -13.370 6.139 1.00 0.00 O ATOM 0 H ASP A 48 1.160 -12.904 4.703 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.443 -10.779 4.429 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.073 -12.795 6.617 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.130 -11.439 6.951 1.00 0.00 H new ATOM 736 N GLU A 49 1.351 -10.370 7.202 1.00 0.00 N ATOM 737 CA GLU A 49 1.909 -9.383 8.111 1.00 0.00 C ATOM 738 C GLU A 49 2.522 -8.223 7.323 1.00 0.00 C ATOM 739 O GLU A 49 2.460 -7.073 7.756 1.00 0.00 O ATOM 740 CB GLU A 49 2.942 -10.018 9.044 1.00 0.00 C ATOM 741 CG GLU A 49 3.994 -10.794 8.249 1.00 0.00 C ATOM 742 CD GLU A 49 4.995 -11.476 9.184 1.00 0.00 C ATOM 743 OE1 GLU A 49 4.569 -12.423 9.880 1.00 0.00 O ATOM 744 OE2 GLU A 49 6.165 -11.034 9.183 1.00 0.00 O ATOM 0 H GLU A 49 1.519 -11.340 7.470 1.00 0.00 H new ATOM 0 HA GLU A 49 1.102 -8.991 8.730 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.428 -9.243 9.637 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.442 -10.688 9.744 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.505 -11.543 7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.521 -10.116 7.578 1.00 0.00 H new ATOM 751 N VAL A 50 3.099 -8.565 6.181 1.00 0.00 N ATOM 752 CA VAL A 50 3.722 -7.566 5.329 1.00 0.00 C ATOM 753 C VAL A 50 2.647 -6.883 4.481 1.00 0.00 C ATOM 754 O VAL A 50 2.656 -5.662 4.327 1.00 0.00 O ATOM 755 CB VAL A 50 4.826 -8.211 4.488 1.00 0.00 C ATOM 756 CG1 VAL A 50 5.765 -7.150 3.911 1.00 0.00 C ATOM 757 CG2 VAL A 50 5.603 -9.245 5.304 1.00 0.00 C ATOM 0 H VAL A 50 3.148 -9.520 5.825 1.00 0.00 H new ATOM 0 HA VAL A 50 4.200 -6.794 5.932 1.00 0.00 H new ATOM 0 HB VAL A 50 4.353 -8.729 3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.540 -7.634 3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.198 -6.467 3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.227 -6.591 4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.381 -9.688 4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.059 -8.759 6.167 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.923 -10.025 5.645 1.00 0.00 H new ATOM 767 N ILE A 51 1.746 -7.699 3.955 1.00 0.00 N ATOM 768 CA ILE A 51 0.666 -7.188 3.127 1.00 0.00 C ATOM 769 C ILE A 51 -0.171 -6.200 3.941 1.00 0.00 C ATOM 770 O ILE A 51 -0.556 -5.146 3.437 1.00 0.00 O ATOM 771 CB ILE A 51 -0.147 -8.342 2.536 1.00 0.00 C ATOM 772 CG1 ILE A 51 0.745 -9.280 1.721 1.00 0.00 C ATOM 773 CG2 ILE A 51 -1.327 -7.816 1.715 1.00 0.00 C ATOM 774 CD1 ILE A 51 0.891 -8.785 0.280 1.00 0.00 C ATOM 0 H ILE A 51 1.741 -8.711 4.086 1.00 0.00 H new ATOM 0 HA ILE A 51 1.066 -6.640 2.274 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.561 -8.925 3.359 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.728 -9.349 2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.321 -10.284 1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.889 -8.656 1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.979 -7.221 2.355 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.955 -7.196 0.899 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.530 -9.470 -0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.091 -8.741 -0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.338 -7.791 0.280 1.00 0.00 H new ATOM 786 N GLN A 52 -0.427 -6.574 5.185 1.00 0.00 N ATOM 787 CA GLN A 52 -1.211 -5.734 6.074 1.00 0.00 C ATOM 788 C GLN A 52 -0.364 -4.567 6.586 1.00 0.00 C ATOM 789 O GLN A 52 -0.894 -3.506 6.912 1.00 0.00 O ATOM 790 CB GLN A 52 -1.784 -6.548 7.236 1.00 0.00 C ATOM 791 CG GLN A 52 -2.698 -7.663 6.726 1.00 0.00 C ATOM 792 CD GLN A 52 -3.595 -8.192 7.847 1.00 0.00 C ATOM 793 OE1 GLN A 52 -3.505 -9.337 8.261 1.00 0.00 O ATOM 794 NE2 GLN A 52 -4.462 -7.298 8.314 1.00 0.00 N ATOM 0 H GLN A 52 -0.105 -7.449 5.599 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.051 -5.328 5.511 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.970 -6.978 7.819 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.342 -5.892 7.904 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.314 -7.288 5.909 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.095 -8.477 6.323 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.484 -6.356 7.922 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.104 -7.554 9.064 1.00 0.00 H new ATOM 803 N ARG A 53 0.939 -4.803 6.641 1.00 0.00 N ATOM 804 CA ARG A 53 1.865 -3.786 7.108 1.00 0.00 C ATOM 805 C ARG A 53 2.128 -2.760 6.004 1.00 0.00 C ATOM 806 O ARG A 53 2.279 -1.571 6.279 1.00 0.00 O ATOM 807 CB ARG A 53 3.193 -4.408 7.545 1.00 0.00 C ATOM 808 CG ARG A 53 4.261 -3.332 7.748 1.00 0.00 C ATOM 809 CD ARG A 53 3.833 -2.330 8.822 1.00 0.00 C ATOM 810 NE ARG A 53 4.952 -1.414 9.136 1.00 0.00 N ATOM 811 CZ ARG A 53 4.940 -0.529 10.142 1.00 0.00 C ATOM 812 NH1 ARG A 53 3.866 -0.434 10.937 1.00 0.00 N ATOM 813 NH2 ARG A 53 6.001 0.262 10.352 1.00 0.00 N ATOM 0 H ARG A 53 1.375 -5.684 6.370 1.00 0.00 H new ATOM 0 HA ARG A 53 1.409 -3.292 7.966 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.051 -4.964 8.472 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.529 -5.122 6.793 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.203 -3.799 8.036 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.439 -2.809 6.808 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.972 -1.759 8.475 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.523 -2.860 9.722 1.00 0.00 H new ATOM 0 HE ARG A 53 5.785 -1.459 8.549 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.058 -1.035 10.776 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.856 0.240 11.703 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.818 0.191 9.746 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.991 0.936 11.118 1.00 0.00 H new ATOM 827 N PHE A 54 2.175 -3.259 4.777 1.00 0.00 N ATOM 828 CA PHE A 54 2.418 -2.401 3.630 1.00 0.00 C ATOM 829 C PHE A 54 1.290 -1.381 3.459 1.00 0.00 C ATOM 830 O PHE A 54 1.546 -0.194 3.266 1.00 0.00 O ATOM 831 CB PHE A 54 2.463 -3.305 2.396 1.00 0.00 C ATOM 832 CG PHE A 54 2.504 -2.546 1.069 1.00 0.00 C ATOM 833 CD1 PHE A 54 3.698 -2.165 0.540 1.00 0.00 C ATOM 834 CD2 PHE A 54 1.348 -2.251 0.417 1.00 0.00 C ATOM 835 CE1 PHE A 54 3.737 -1.460 -0.692 1.00 0.00 C ATOM 836 CE2 PHE A 54 1.386 -1.546 -0.815 1.00 0.00 C ATOM 837 CZ PHE A 54 2.580 -1.166 -1.343 1.00 0.00 C ATOM 0 H PHE A 54 2.049 -4.246 4.553 1.00 0.00 H new ATOM 0 HA PHE A 54 3.350 -1.853 3.767 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.340 -3.949 2.462 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.589 -3.956 2.403 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.617 -2.399 1.057 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.400 -2.553 0.837 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.685 -1.158 -1.112 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.467 -1.312 -1.332 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.609 -0.630 -2.280 1.00 0.00 H new ATOM 847 N CYS A 55 0.066 -1.882 3.537 1.00 0.00 N ATOM 848 CA CYS A 55 -1.102 -1.030 3.394 1.00 0.00 C ATOM 849 C CYS A 55 -1.100 -0.016 4.540 1.00 0.00 C ATOM 850 O CYS A 55 -1.823 0.979 4.495 1.00 0.00 O ATOM 851 CB CYS A 55 -2.396 -1.845 3.356 1.00 0.00 C ATOM 852 SG CYS A 55 -3.840 -0.724 3.279 1.00 0.00 S ATOM 0 H CYS A 55 -0.142 -2.868 3.697 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.055 -0.501 2.442 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.393 -2.507 2.490 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.463 -2.478 4.241 1.00 0.00 H new ATOM 0 HG CYS A 55 -3.573 0.372 3.925 1.00 0.00 H new ATOM 858 N GLN A 56 -0.279 -0.302 5.540 1.00 0.00 N ATOM 859 CA GLN A 56 -0.174 0.573 6.695 1.00 0.00 C ATOM 860 C GLN A 56 0.730 1.766 6.377 1.00 0.00 C ATOM 861 O GLN A 56 0.516 2.864 6.888 1.00 0.00 O ATOM 862 CB GLN A 56 0.339 -0.193 7.917 1.00 0.00 C ATOM 863 CG GLN A 56 1.582 0.479 8.503 1.00 0.00 C ATOM 864 CD GLN A 56 1.227 1.819 9.152 1.00 0.00 C ATOM 865 OE1 GLN A 56 0.088 2.257 9.148 1.00 0.00 O ATOM 866 NE2 GLN A 56 2.262 2.442 9.708 1.00 0.00 N ATOM 0 H GLN A 56 0.320 -1.127 5.574 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.169 0.949 6.933 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.443 -0.242 8.674 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.575 -1.219 7.635 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.040 -0.177 9.243 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.320 0.636 7.716 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.190 2.019 9.675 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.128 3.343 10.167 1.00 0.00 H new ATOM 875 N GLU A 57 1.720 1.510 5.535 1.00 0.00 N ATOM 876 CA GLU A 57 2.656 2.549 5.142 1.00 0.00 C ATOM 877 C GLU A 57 2.179 3.238 3.862 1.00 0.00 C ATOM 878 O GLU A 57 2.325 4.450 3.714 1.00 0.00 O ATOM 879 CB GLU A 57 4.065 1.979 4.966 1.00 0.00 C ATOM 880 CG GLU A 57 4.220 1.312 3.599 1.00 0.00 C ATOM 881 CD GLU A 57 5.681 0.945 3.329 1.00 0.00 C ATOM 882 OE1 GLU A 57 6.457 1.882 3.042 1.00 0.00 O ATOM 883 OE2 GLU A 57 5.988 -0.263 3.417 1.00 0.00 O ATOM 0 H GLU A 57 1.894 0.598 5.114 1.00 0.00 H new ATOM 0 HA GLU A 57 2.697 3.293 5.937 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.800 2.777 5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.269 1.254 5.754 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.602 0.415 3.556 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.860 1.984 2.820 1.00 0.00 H new ATOM 890 N THR A 58 1.619 2.434 2.970 1.00 0.00 N ATOM 891 CA THR A 58 1.120 2.951 1.707 1.00 0.00 C ATOM 892 C THR A 58 -0.353 3.346 1.837 1.00 0.00 C ATOM 893 O THR A 58 -0.688 4.529 1.798 1.00 0.00 O ATOM 894 CB THR A 58 1.373 1.894 0.630 1.00 0.00 C ATOM 895 OG1 THR A 58 0.705 0.734 1.119 1.00 0.00 O ATOM 896 CG2 THR A 58 2.842 1.474 0.556 1.00 0.00 C ATOM 0 H THR A 58 1.500 1.429 3.097 1.00 0.00 H new ATOM 0 HA THR A 58 1.644 3.862 1.418 1.00 0.00 H new ATOM 0 HB THR A 58 1.056 2.280 -0.339 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.105 -0.067 0.720 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.967 0.723 -0.224 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.458 2.343 0.324 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.150 1.056 1.515 1.00 0.00 H new ATOM 904 N GLY A 59 -1.193 2.333 1.989 1.00 0.00 N ATOM 905 CA GLY A 59 -2.622 2.559 2.125 1.00 0.00 C ATOM 906 C GLY A 59 -3.403 1.789 1.058 1.00 0.00 C ATOM 907 O GLY A 59 -4.631 1.845 1.021 1.00 0.00 O ATOM 0 H GLY A 59 -0.911 1.353 2.021 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.950 2.248 3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.835 3.624 2.039 1.00 0.00 H new ATOM 911 N VAL A 60 -2.658 1.086 0.217 1.00 0.00 N ATOM 912 CA VAL A 60 -3.265 0.306 -0.848 1.00 0.00 C ATOM 913 C VAL A 60 -3.916 -0.944 -0.250 1.00 0.00 C ATOM 914 O VAL A 60 -3.370 -1.553 0.668 1.00 0.00 O ATOM 915 CB VAL A 60 -2.223 -0.017 -1.920 1.00 0.00 C ATOM 916 CG1 VAL A 60 -2.815 -0.917 -3.006 1.00 0.00 C ATOM 917 CG2 VAL A 60 -1.643 1.263 -2.524 1.00 0.00 C ATOM 0 H VAL A 60 -1.640 1.040 0.252 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.051 0.878 -1.341 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.408 -0.561 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.054 -1.132 -3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.157 -1.850 -2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.657 -0.411 -3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.905 1.005 -3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.444 1.846 -2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.167 1.852 -1.740 1.00 0.00 H new ATOM 927 N PRO A 61 -5.103 -1.297 -0.810 1.00 0.00 N ATOM 928 CA PRO A 61 -5.834 -2.463 -0.343 1.00 0.00 C ATOM 929 C PRO A 61 -5.178 -3.755 -0.835 1.00 0.00 C ATOM 930 O PRO A 61 -4.611 -3.791 -1.926 1.00 0.00 O ATOM 931 CB PRO A 61 -7.248 -2.278 -0.868 1.00 0.00 C ATOM 932 CG PRO A 61 -7.145 -1.261 -1.993 1.00 0.00 C ATOM 933 CD PRO A 61 -5.780 -0.599 -1.899 1.00 0.00 C ATOM 0 HA PRO A 61 -5.835 -2.551 0.743 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.657 -3.221 -1.230 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.914 -1.924 -0.081 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.267 -1.748 -2.960 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.937 -0.517 -1.909 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.228 -0.695 -2.834 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.871 0.467 -1.690 1.00 0.00 H new ATOM 941 N ARG A 62 -5.277 -4.784 -0.007 1.00 0.00 N ATOM 942 CA ARG A 62 -4.701 -6.075 -0.344 1.00 0.00 C ATOM 943 C ARG A 62 -5.224 -6.552 -1.700 1.00 0.00 C ATOM 944 O ARG A 62 -4.445 -6.787 -2.622 1.00 0.00 O ATOM 945 CB ARG A 62 -5.034 -7.122 0.721 1.00 0.00 C ATOM 946 CG ARG A 62 -4.445 -8.485 0.352 1.00 0.00 C ATOM 947 CD ARG A 62 -4.359 -9.395 1.578 1.00 0.00 C ATOM 948 NE ARG A 62 -5.224 -10.582 1.390 1.00 0.00 N ATOM 949 CZ ARG A 62 -6.532 -10.611 1.679 1.00 0.00 C ATOM 950 NH1 ARG A 62 -7.134 -9.520 2.172 1.00 0.00 N ATOM 951 NH2 ARG A 62 -7.238 -11.732 1.476 1.00 0.00 N ATOM 0 H ARG A 62 -5.748 -4.750 0.897 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.619 -5.953 -0.391 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.642 -6.802 1.686 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.115 -7.206 0.828 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.062 -8.957 -0.413 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.452 -8.352 -0.077 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.327 -9.708 1.737 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.667 -8.848 2.469 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.798 -11.430 1.017 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.596 -8.667 2.327 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.130 -9.542 2.392 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.780 -12.563 1.102 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.234 -11.754 1.696 1.00 0.00 H new ATOM 965 N GLN A 63 -6.541 -6.680 -1.779 1.00 0.00 N ATOM 966 CA GLN A 63 -7.177 -7.125 -3.006 1.00 0.00 C ATOM 967 C GLN A 63 -6.562 -6.412 -4.212 1.00 0.00 C ATOM 968 O GLN A 63 -6.457 -6.990 -5.293 1.00 0.00 O ATOM 969 CB GLN A 63 -8.690 -6.902 -2.951 1.00 0.00 C ATOM 970 CG GLN A 63 -9.424 -7.898 -3.852 1.00 0.00 C ATOM 971 CD GLN A 63 -10.610 -7.232 -4.553 1.00 0.00 C ATOM 972 OE1 GLN A 63 -11.226 -6.310 -4.046 1.00 0.00 O ATOM 973 NE2 GLN A 63 -10.894 -7.750 -5.745 1.00 0.00 N ATOM 0 H GLN A 63 -7.184 -6.483 -1.012 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.004 -8.196 -3.114 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.040 -7.009 -1.924 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -8.923 -5.884 -3.263 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.735 -8.297 -4.596 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.775 -8.741 -3.258 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.337 -8.522 -6.111 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -11.668 -7.375 -6.293 1.00 0.00 H new ATOM 982 N VAL A 64 -6.171 -5.166 -3.986 1.00 0.00 N ATOM 983 CA VAL A 64 -5.568 -4.368 -5.041 1.00 0.00 C ATOM 984 C VAL A 64 -4.136 -4.848 -5.282 1.00 0.00 C ATOM 985 O VAL A 64 -3.784 -5.228 -6.398 1.00 0.00 O ATOM 986 CB VAL A 64 -5.650 -2.883 -4.684 1.00 0.00 C ATOM 987 CG1 VAL A 64 -4.468 -2.112 -5.275 1.00 0.00 C ATOM 988 CG2 VAL A 64 -6.980 -2.281 -5.140 1.00 0.00 C ATOM 0 H VAL A 64 -6.260 -4.690 -3.088 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.114 -4.494 -5.976 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.599 -2.796 -3.599 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.550 -1.059 -5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.536 -2.516 -4.880 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.475 -2.212 -6.360 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.012 -1.225 -4.874 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.075 -2.386 -6.221 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.802 -2.803 -4.651 1.00 0.00 H new ATOM 998 N LEU A 65 -3.347 -4.814 -4.217 1.00 0.00 N ATOM 999 CA LEU A 65 -1.961 -5.241 -4.299 1.00 0.00 C ATOM 1000 C LEU A 65 -1.902 -6.667 -4.849 1.00 0.00 C ATOM 1001 O LEU A 65 -0.868 -7.099 -5.356 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.268 -5.074 -2.945 1.00 0.00 C ATOM 1003 CG LEU A 65 0.252 -5.247 -2.944 1.00 0.00 C ATOM 1004 CD1 LEU A 65 0.641 -6.683 -3.299 1.00 0.00 C ATOM 1005 CD2 LEU A 65 0.921 -4.227 -3.868 1.00 0.00 C ATOM 0 H LEU A 65 -3.642 -4.497 -3.293 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.408 -4.609 -4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.501 -4.081 -2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.696 -5.795 -2.249 1.00 0.00 H new ATOM 0 HG LEU A 65 0.616 -5.055 -1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.727 -6.778 -3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.211 -7.368 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.263 -6.928 -4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.001 -4.372 -3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.555 -4.363 -4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.684 -3.219 -3.529 1.00 0.00 H new ATOM 1017 N LYS A 66 -3.025 -7.360 -4.729 1.00 0.00 N ATOM 1018 CA LYS A 66 -3.114 -8.729 -5.207 1.00 0.00 C ATOM 1019 C LYS A 66 -3.299 -8.723 -6.726 1.00 0.00 C ATOM 1020 O LYS A 66 -2.379 -9.062 -7.468 1.00 0.00 O ATOM 1021 CB LYS A 66 -4.211 -9.488 -4.457 1.00 0.00 C ATOM 1022 CG LYS A 66 -4.248 -10.958 -4.880 1.00 0.00 C ATOM 1023 CD LYS A 66 -4.141 -11.882 -3.665 1.00 0.00 C ATOM 1024 CE LYS A 66 -5.133 -13.042 -3.769 1.00 0.00 C ATOM 1025 NZ LYS A 66 -4.552 -14.151 -4.559 1.00 0.00 N ATOM 0 H LYS A 66 -3.881 -6.999 -4.308 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.188 -9.266 -5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.037 -9.419 -3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.178 -9.025 -4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.175 -11.162 -5.416 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.429 -11.162 -5.570 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.126 -12.272 -3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.333 -11.315 -2.754 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.394 -13.396 -2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.056 -12.699 -4.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.238 -14.930 -4.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.325 -13.814 -5.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.684 -14.489 -4.096 1.00 0.00 H new ATOM 1039 N VAL A 67 -4.495 -8.335 -7.143 1.00 0.00 N ATOM 1040 CA VAL A 67 -4.813 -8.280 -8.560 1.00 0.00 C ATOM 1041 C VAL A 67 -3.763 -7.433 -9.281 1.00 0.00 C ATOM 1042 O VAL A 67 -3.352 -7.761 -10.393 1.00 0.00 O ATOM 1043 CB VAL A 67 -6.238 -7.761 -8.757 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -6.617 -7.749 -10.240 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -7.239 -8.584 -7.943 1.00 0.00 C ATOM 0 H VAL A 67 -5.256 -8.055 -6.524 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.782 -9.278 -8.997 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.274 -6.734 -8.393 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.635 -7.376 -10.352 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.931 -7.101 -10.786 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.556 -8.761 -10.639 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.244 -8.194 -8.101 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.199 -9.625 -8.263 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.987 -8.520 -6.884 1.00 0.00 H new ATOM 1055 N TRP A 68 -3.358 -6.359 -8.618 1.00 0.00 N ATOM 1056 CA TRP A 68 -2.364 -5.462 -9.182 1.00 0.00 C ATOM 1057 C TRP A 68 -1.279 -6.314 -9.844 1.00 0.00 C ATOM 1058 O TRP A 68 -0.963 -6.121 -11.017 1.00 0.00 O ATOM 1059 CB TRP A 68 -1.812 -4.515 -8.115 1.00 0.00 C ATOM 1060 CG TRP A 68 -0.727 -3.565 -8.627 1.00 0.00 C ATOM 1061 CD1 TRP A 68 -0.882 -2.455 -9.362 1.00 0.00 C ATOM 1062 CD2 TRP A 68 0.694 -3.687 -8.410 1.00 0.00 C ATOM 1063 NE1 TRP A 68 0.330 -1.856 -9.634 1.00 0.00 N ATOM 1064 CE2 TRP A 68 1.320 -2.628 -9.036 1.00 0.00 C ATOM 1065 CE3 TRP A 68 1.428 -4.659 -7.707 1.00 0.00 C ATOM 1066 CZ2 TRP A 68 2.707 -2.441 -9.024 1.00 0.00 C ATOM 1067 CZ3 TRP A 68 2.813 -4.457 -7.704 1.00 0.00 C ATOM 1068 CH2 TRP A 68 3.458 -3.397 -8.330 1.00 0.00 C ATOM 0 H TRP A 68 -3.700 -6.090 -7.696 1.00 0.00 H new ATOM 0 HA TRP A 68 -2.811 -4.818 -9.939 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.633 -3.926 -7.707 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.405 -5.106 -7.295 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -1.836 -2.077 -9.699 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.474 -1.003 -10.175 1.00 0.00 H new ATOM 0 HE3 TRP A 68 0.960 -5.495 -7.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 3.173 -1.604 -9.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.424 -5.176 -7.178 1.00 0.00 H new ATOM 0 HH2 TRP A 68 4.533 -3.311 -8.281 1.00 0.00 H new ATOM 1079 N LEU A 69 -0.740 -7.239 -9.063 1.00 0.00 N ATOM 1080 CA LEU A 69 0.303 -8.121 -9.559 1.00 0.00 C ATOM 1081 C LEU A 69 -0.179 -8.803 -10.841 1.00 0.00 C ATOM 1082 O LEU A 69 0.443 -8.666 -11.893 1.00 0.00 O ATOM 1083 CB LEU A 69 0.739 -9.101 -8.468 1.00 0.00 C ATOM 1084 CG LEU A 69 1.123 -8.480 -7.123 1.00 0.00 C ATOM 1085 CD1 LEU A 69 0.749 -9.407 -5.965 1.00 0.00 C ATOM 1086 CD2 LEU A 69 2.605 -8.100 -7.098 1.00 0.00 C ATOM 0 H LEU A 69 -1.006 -7.397 -8.091 1.00 0.00 H new ATOM 0 HA LEU A 69 1.195 -7.549 -9.817 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.071 -9.811 -8.300 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.591 -9.671 -8.839 1.00 0.00 H new ATOM 0 HG LEU A 69 0.553 -7.560 -6.996 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.033 -8.942 -5.021 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.326 -9.584 -5.974 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.274 -10.356 -6.074 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.852 -7.661 -6.131 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.212 -8.991 -7.257 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.809 -7.377 -7.888 1.00 0.00 H new