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 180:sc= -0.571! USER MOD Single : A 28 GLN : amide:sc= -6.06 K(o=-6.1,f=-5.2!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -137:sc= -5.49! (180deg=-8.45!) USER MOD Single : A 44 GLN : amide:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc=-0.00264 X(o=-0.0026,f=0) USER MOD Single : A 55 CYS SG : rot -82:sc= 0.401 USER MOD Single : A 56 GLN : amide:sc= -3.9! C(o=-3.9!,f=-4.5!) USER MOD Single : A 58 THR OG1 : rot -111:sc= 0.518 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 288 N LYS A 23 -4.916 4.669 -8.823 1.00 0.00 N ATOM 289 CA LYS A 23 -4.008 5.727 -9.231 1.00 0.00 C ATOM 290 C LYS A 23 -2.688 5.581 -8.470 1.00 0.00 C ATOM 291 O LYS A 23 -2.339 6.435 -7.656 1.00 0.00 O ATOM 292 CB LYS A 23 -4.668 7.096 -9.060 1.00 0.00 C ATOM 293 CG LYS A 23 -4.877 7.777 -10.414 1.00 0.00 C ATOM 294 CD LYS A 23 -3.584 8.435 -10.903 1.00 0.00 C ATOM 295 CE LYS A 23 -3.341 9.764 -10.185 1.00 0.00 C ATOM 296 NZ LYS A 23 -2.364 10.586 -10.934 1.00 0.00 N ATOM 0 HA LYS A 23 -3.776 5.642 -10.293 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.627 6.981 -8.555 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.047 7.726 -8.424 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.215 7.043 -11.146 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.662 8.528 -10.330 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.742 7.765 -10.730 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.641 8.603 -11.978 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.281 10.307 -10.084 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.971 9.577 -9.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.210 11.485 -10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.463 10.072 -11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.732 10.779 -11.887 1.00 0.00 H new ATOM 310 N PHE A 24 -1.990 4.493 -8.762 1.00 0.00 N ATOM 311 CA PHE A 24 -0.717 4.225 -8.116 1.00 0.00 C ATOM 312 C PHE A 24 0.397 5.082 -8.721 1.00 0.00 C ATOM 313 O PHE A 24 0.723 4.941 -9.899 1.00 0.00 O ATOM 314 CB PHE A 24 -0.396 2.749 -8.356 1.00 0.00 C ATOM 315 CG PHE A 24 -1.596 1.815 -8.187 1.00 0.00 C ATOM 316 CD1 PHE A 24 -2.157 1.643 -6.960 1.00 0.00 C ATOM 317 CD2 PHE A 24 -2.103 1.158 -9.264 1.00 0.00 C ATOM 318 CE1 PHE A 24 -3.271 0.777 -6.804 1.00 0.00 C ATOM 319 CE2 PHE A 24 -3.217 0.292 -9.108 1.00 0.00 C ATOM 320 CZ PHE A 24 -3.778 0.119 -7.881 1.00 0.00 C ATOM 0 H PHE A 24 -2.282 3.787 -9.438 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.782 4.460 -7.054 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.002 2.634 -9.364 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.390 2.442 -7.666 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.755 2.165 -6.104 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.658 1.295 -10.239 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.716 0.641 -5.830 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.619 -0.230 -9.964 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.625 -0.540 -7.762 1.00 0.00 H new ATOM 330 N THR A 25 0.950 5.952 -7.888 1.00 0.00 N ATOM 331 CA THR A 25 2.020 6.831 -8.327 1.00 0.00 C ATOM 332 C THR A 25 3.379 6.155 -8.134 1.00 0.00 C ATOM 333 O THR A 25 3.460 5.070 -7.560 1.00 0.00 O ATOM 334 CB THR A 25 1.886 8.153 -7.568 1.00 0.00 C ATOM 335 OG1 THR A 25 3.172 8.755 -7.690 1.00 0.00 O ATOM 336 CG2 THR A 25 1.711 7.949 -6.062 1.00 0.00 C ATOM 0 H THR A 25 0.677 6.067 -6.912 1.00 0.00 H new ATOM 0 HA THR A 25 1.946 7.042 -9.394 1.00 0.00 H new ATOM 0 HB THR A 25 1.036 8.711 -7.959 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.174 9.619 -7.227 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.621 8.918 -5.572 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.811 7.363 -5.876 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.577 7.420 -5.663 1.00 0.00 H new ATOM 344 N ALA A 26 4.411 6.824 -8.626 1.00 0.00 N ATOM 345 CA ALA A 26 5.762 6.301 -8.515 1.00 0.00 C ATOM 346 C ALA A 26 5.919 5.585 -7.172 1.00 0.00 C ATOM 347 O ALA A 26 6.393 4.451 -7.121 1.00 0.00 O ATOM 348 CB ALA A 26 6.767 7.442 -8.689 1.00 0.00 C ATOM 0 H ALA A 26 4.339 7.723 -9.102 1.00 0.00 H new ATOM 0 HA ALA A 26 5.957 5.572 -9.301 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.781 7.050 -8.606 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.634 7.898 -9.670 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.603 8.192 -7.915 1.00 0.00 H new ATOM 354 N GLU A 27 5.513 6.277 -6.118 1.00 0.00 N ATOM 355 CA GLU A 27 5.602 5.721 -4.778 1.00 0.00 C ATOM 356 C GLU A 27 4.844 4.394 -4.702 1.00 0.00 C ATOM 357 O GLU A 27 5.455 3.331 -4.607 1.00 0.00 O ATOM 358 CB GLU A 27 5.077 6.712 -3.738 1.00 0.00 C ATOM 359 CG GLU A 27 5.974 6.732 -2.498 1.00 0.00 C ATOM 360 CD GLU A 27 5.402 7.657 -1.422 1.00 0.00 C ATOM 361 OE1 GLU A 27 5.760 8.855 -1.455 1.00 0.00 O ATOM 362 OE2 GLU A 27 4.621 7.147 -0.591 1.00 0.00 O ATOM 0 H GLU A 27 5.122 7.218 -6.164 1.00 0.00 H new ATOM 0 HA GLU A 27 6.652 5.531 -4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.030 7.710 -4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.061 6.440 -3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.072 5.722 -2.100 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.975 7.065 -2.774 1.00 0.00 H new ATOM 369 N GLN A 28 3.524 4.500 -4.747 1.00 0.00 N ATOM 370 CA GLN A 28 2.677 3.321 -4.684 1.00 0.00 C ATOM 371 C GLN A 28 3.195 2.243 -5.638 1.00 0.00 C ATOM 372 O GLN A 28 3.314 1.079 -5.260 1.00 0.00 O ATOM 373 CB GLN A 28 1.221 3.675 -4.996 1.00 0.00 C ATOM 374 CG GLN A 28 0.686 4.713 -4.008 1.00 0.00 C ATOM 375 CD GLN A 28 0.580 4.125 -2.599 1.00 0.00 C ATOM 376 OE1 GLN A 28 -0.476 3.715 -2.147 1.00 0.00 O ATOM 377 NE2 GLN A 28 1.731 4.107 -1.933 1.00 0.00 N ATOM 0 H GLN A 28 3.021 5.384 -4.826 1.00 0.00 H new ATOM 0 HA GLN A 28 2.712 2.927 -3.668 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.147 4.063 -6.012 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.607 2.776 -4.952 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.345 5.581 -3.995 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.294 5.061 -4.335 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.579 4.466 -2.371 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.766 3.734 -0.984 1.00 0.00 H new ATOM 386 N LYS A 29 3.490 2.670 -6.858 1.00 0.00 N ATOM 387 CA LYS A 29 3.994 1.755 -7.869 1.00 0.00 C ATOM 388 C LYS A 29 5.279 1.098 -7.362 1.00 0.00 C ATOM 389 O LYS A 29 5.330 -0.118 -7.185 1.00 0.00 O ATOM 390 CB LYS A 29 4.159 2.476 -9.208 1.00 0.00 C ATOM 391 CG LYS A 29 3.316 1.809 -10.297 1.00 0.00 C ATOM 392 CD LYS A 29 3.691 2.340 -11.683 1.00 0.00 C ATOM 393 CE LYS A 29 3.414 3.840 -11.789 1.00 0.00 C ATOM 394 NZ LYS A 29 3.007 4.196 -13.166 1.00 0.00 N ATOM 0 H LYS A 29 3.390 3.636 -7.169 1.00 0.00 H new ATOM 0 HA LYS A 29 3.277 0.954 -8.050 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.863 3.520 -9.102 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.209 2.471 -9.501 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.463 0.729 -10.265 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.259 1.993 -10.107 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.746 2.147 -11.877 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.124 1.807 -12.446 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.629 4.121 -11.087 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.306 4.401 -11.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.823 5.218 -13.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.768 3.946 -13.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.143 3.675 -13.418 1.00 0.00 H new ATOM 408 N GLU A 30 6.285 1.931 -7.142 1.00 0.00 N ATOM 409 CA GLU A 30 7.566 1.446 -6.659 1.00 0.00 C ATOM 410 C GLU A 30 7.374 0.611 -5.391 1.00 0.00 C ATOM 411 O GLU A 30 8.041 -0.406 -5.206 1.00 0.00 O ATOM 412 CB GLU A 30 8.533 2.605 -6.410 1.00 0.00 C ATOM 413 CG GLU A 30 8.930 3.280 -7.725 1.00 0.00 C ATOM 414 CD GLU A 30 10.451 3.406 -7.839 1.00 0.00 C ATOM 415 OE1 GLU A 30 11.002 4.281 -7.137 1.00 0.00 O ATOM 416 OE2 GLU A 30 11.028 2.625 -8.626 1.00 0.00 O ATOM 0 H GLU A 30 6.239 2.939 -7.289 1.00 0.00 H new ATOM 0 HA GLU A 30 8.004 0.809 -7.428 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.068 3.335 -5.748 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.425 2.237 -5.902 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.545 2.702 -8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.474 4.268 -7.783 1.00 0.00 H new ATOM 423 N ARG A 31 6.460 1.072 -4.550 1.00 0.00 N ATOM 424 CA ARG A 31 6.171 0.381 -3.305 1.00 0.00 C ATOM 425 C ARG A 31 5.781 -1.072 -3.583 1.00 0.00 C ATOM 426 O ARG A 31 6.413 -1.997 -3.075 1.00 0.00 O ATOM 427 CB ARG A 31 5.037 1.069 -2.543 1.00 0.00 C ATOM 428 CG ARG A 31 5.496 2.414 -1.976 1.00 0.00 C ATOM 429 CD ARG A 31 6.046 2.252 -0.557 1.00 0.00 C ATOM 430 NE ARG A 31 7.482 1.899 -0.609 1.00 0.00 N ATOM 431 CZ ARG A 31 8.447 2.733 -1.020 1.00 0.00 C ATOM 432 NH1 ARG A 31 8.135 3.974 -1.418 1.00 0.00 N ATOM 433 NH2 ARG A 31 9.724 2.327 -1.034 1.00 0.00 N ATOM 0 H ARG A 31 5.910 1.916 -4.707 1.00 0.00 H new ATOM 0 HA ARG A 31 7.073 0.409 -2.694 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.187 1.221 -3.208 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.696 0.426 -1.732 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.264 2.842 -2.621 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.660 3.114 -1.968 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.910 3.178 0.002 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.491 1.476 -0.029 1.00 0.00 H new ATOM 0 HE ARG A 31 7.755 0.962 -0.313 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.163 4.284 -1.408 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.869 4.609 -1.731 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.962 1.382 -0.732 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.458 2.963 -1.347 1.00 0.00 H new ATOM 447 N MET A 32 4.741 -1.228 -4.390 1.00 0.00 N ATOM 448 CA MET A 32 4.259 -2.553 -4.741 1.00 0.00 C ATOM 449 C MET A 32 5.343 -3.358 -5.460 1.00 0.00 C ATOM 450 O MET A 32 5.532 -4.541 -5.180 1.00 0.00 O ATOM 451 CB MET A 32 3.032 -2.427 -5.647 1.00 0.00 C ATOM 452 CG MET A 32 1.869 -1.764 -4.905 1.00 0.00 C ATOM 453 SD MET A 32 0.352 -1.997 -5.816 1.00 0.00 S ATOM 454 CE MET A 32 -0.248 -0.317 -5.853 1.00 0.00 C ATOM 0 H MET A 32 4.219 -0.459 -4.810 1.00 0.00 H new ATOM 0 HA MET A 32 3.992 -3.077 -3.823 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.286 -1.841 -6.530 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.730 -3.415 -5.996 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.773 -2.191 -3.907 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.067 -0.700 -4.778 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.318 -0.308 -5.647 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.272 0.272 -5.097 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.065 0.113 -6.838 1.00 0.00 H new ATOM 464 N LEU A 33 6.028 -2.685 -6.373 1.00 0.00 N ATOM 465 CA LEU A 33 7.088 -3.323 -7.135 1.00 0.00 C ATOM 466 C LEU A 33 8.090 -3.960 -6.170 1.00 0.00 C ATOM 467 O LEU A 33 8.474 -5.116 -6.341 1.00 0.00 O ATOM 468 CB LEU A 33 7.721 -2.329 -8.110 1.00 0.00 C ATOM 469 CG LEU A 33 7.259 -2.430 -9.565 1.00 0.00 C ATOM 470 CD1 LEU A 33 6.808 -1.067 -10.093 1.00 0.00 C ATOM 471 CD2 LEU A 33 8.346 -3.054 -10.443 1.00 0.00 C ATOM 0 H LEU A 33 5.869 -1.704 -6.602 1.00 0.00 H new ATOM 0 HA LEU A 33 6.683 -4.125 -7.752 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.515 -1.320 -7.754 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.802 -2.462 -8.083 1.00 0.00 H new ATOM 0 HG LEU A 33 6.394 -3.092 -9.604 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.485 -1.167 -11.129 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.979 -0.699 -9.488 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.638 -0.363 -10.038 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.992 -3.114 -11.472 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.244 -2.437 -10.404 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.577 -4.055 -10.079 1.00 0.00 H new ATOM 483 N ALA A 34 8.486 -3.178 -5.176 1.00 0.00 N ATOM 484 CA ALA A 34 9.436 -3.652 -4.184 1.00 0.00 C ATOM 485 C ALA A 34 8.810 -4.803 -3.393 1.00 0.00 C ATOM 486 O ALA A 34 9.500 -5.749 -3.017 1.00 0.00 O ATOM 487 CB ALA A 34 9.857 -2.488 -3.284 1.00 0.00 C ATOM 0 H ALA A 34 8.166 -2.220 -5.037 1.00 0.00 H new ATOM 0 HA ALA A 34 10.336 -4.034 -4.666 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.570 -2.843 -2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.322 -1.710 -3.889 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.980 -2.081 -2.781 1.00 0.00 H new ATOM 493 N LEU A 35 7.511 -4.684 -3.165 1.00 0.00 N ATOM 494 CA LEU A 35 6.784 -5.703 -2.426 1.00 0.00 C ATOM 495 C LEU A 35 6.717 -6.982 -3.262 1.00 0.00 C ATOM 496 O LEU A 35 7.039 -8.065 -2.774 1.00 0.00 O ATOM 497 CB LEU A 35 5.414 -5.177 -1.995 1.00 0.00 C ATOM 498 CG LEU A 35 4.437 -6.220 -1.448 1.00 0.00 C ATOM 499 CD1 LEU A 35 4.919 -6.771 -0.105 1.00 0.00 C ATOM 500 CD2 LEU A 35 3.020 -5.651 -1.360 1.00 0.00 C ATOM 0 H LEU A 35 6.942 -3.898 -3.479 1.00 0.00 H new ATOM 0 HA LEU A 35 7.308 -5.952 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.564 -4.413 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.950 -4.686 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 35 4.404 -7.057 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.207 -7.510 0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.895 -7.240 -0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.999 -5.956 0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.346 -6.413 -0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.016 -4.786 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.687 -5.348 -2.353 1.00 0.00 H new ATOM 512 N ALA A 36 6.297 -6.816 -4.508 1.00 0.00 N ATOM 513 CA ALA A 36 6.184 -7.944 -5.416 1.00 0.00 C ATOM 514 C ALA A 36 7.537 -8.652 -5.515 1.00 0.00 C ATOM 515 O ALA A 36 7.609 -9.877 -5.427 1.00 0.00 O ATOM 516 CB ALA A 36 5.681 -7.456 -6.776 1.00 0.00 C ATOM 0 H ALA A 36 6.031 -5.917 -4.910 1.00 0.00 H new ATOM 0 HA ALA A 36 5.460 -8.667 -5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.596 -8.302 -7.458 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.704 -6.987 -6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.384 -6.730 -7.185 1.00 0.00 H new ATOM 522 N GLU A 37 8.576 -7.850 -5.697 1.00 0.00 N ATOM 523 CA GLU A 37 9.923 -8.385 -5.809 1.00 0.00 C ATOM 524 C GLU A 37 10.425 -8.847 -4.440 1.00 0.00 C ATOM 525 O GLU A 37 11.485 -9.464 -4.340 1.00 0.00 O ATOM 526 CB GLU A 37 10.872 -7.354 -6.422 1.00 0.00 C ATOM 527 CG GLU A 37 10.622 -7.203 -7.924 1.00 0.00 C ATOM 528 CD GLU A 37 11.941 -7.073 -8.689 1.00 0.00 C ATOM 529 OE1 GLU A 37 12.698 -6.135 -8.358 1.00 0.00 O ATOM 530 OE2 GLU A 37 12.162 -7.914 -9.587 1.00 0.00 O ATOM 0 H GLU A 37 8.513 -6.835 -5.770 1.00 0.00 H new ATOM 0 HA GLU A 37 9.897 -9.248 -6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.737 -6.391 -5.929 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.905 -7.658 -6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.067 -8.066 -8.293 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.003 -6.324 -8.107 1.00 0.00 H new ATOM 537 N ARG A 38 9.641 -8.532 -3.420 1.00 0.00 N ATOM 538 CA ARG A 38 9.993 -8.908 -2.061 1.00 0.00 C ATOM 539 C ARG A 38 9.327 -10.234 -1.687 1.00 0.00 C ATOM 540 O ARG A 38 9.991 -11.155 -1.214 1.00 0.00 O ATOM 541 CB ARG A 38 9.565 -7.831 -1.063 1.00 0.00 C ATOM 542 CG ARG A 38 9.584 -8.370 0.369 1.00 0.00 C ATOM 543 CD ARG A 38 10.230 -7.366 1.325 1.00 0.00 C ATOM 544 NE ARG A 38 11.533 -6.918 0.785 1.00 0.00 N ATOM 545 CZ ARG A 38 12.330 -6.026 1.389 1.00 0.00 C ATOM 546 NH1 ARG A 38 11.963 -5.482 2.557 1.00 0.00 N ATOM 547 NH2 ARG A 38 13.495 -5.679 0.825 1.00 0.00 N ATOM 0 H ARG A 38 8.763 -8.020 -3.507 1.00 0.00 H new ATOM 0 HA ARG A 38 11.077 -9.017 -2.018 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.232 -6.973 -1.141 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.563 -7.479 -1.310 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.566 -8.584 0.694 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.133 -9.311 0.400 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.571 -6.509 1.465 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.371 -7.823 2.304 1.00 0.00 H new ATOM 0 HE ARG A 38 11.844 -7.313 -0.103 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.077 -5.747 2.987 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.570 -4.803 3.016 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.775 -6.094 -0.064 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.102 -5.000 1.285 1.00 0.00 H new ATOM 561 N ILE A 39 8.023 -10.288 -1.913 1.00 0.00 N ATOM 562 CA ILE A 39 7.259 -11.486 -1.606 1.00 0.00 C ATOM 563 C ILE A 39 7.357 -12.463 -2.779 1.00 0.00 C ATOM 564 O ILE A 39 7.339 -13.677 -2.583 1.00 0.00 O ATOM 565 CB ILE A 39 5.822 -11.122 -1.226 1.00 0.00 C ATOM 566 CG1 ILE A 39 5.064 -10.556 -2.429 1.00 0.00 C ATOM 567 CG2 ILE A 39 5.795 -10.168 -0.031 1.00 0.00 C ATOM 568 CD1 ILE A 39 3.703 -10.000 -2.006 1.00 0.00 C ATOM 0 H ILE A 39 7.476 -9.522 -2.305 1.00 0.00 H new ATOM 0 HA ILE A 39 7.676 -11.991 -0.735 1.00 0.00 H new ATOM 0 HB ILE A 39 5.308 -12.034 -0.921 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.654 -9.768 -2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.926 -11.337 -3.177 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.762 -9.926 0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.272 -10.644 0.825 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.331 -9.253 -0.283 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.184 -9.604 -2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.107 -10.797 -1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.846 -9.203 -1.277 1.00 0.00 H new ATOM 580 N GLY A 40 7.459 -11.896 -3.972 1.00 0.00 N ATOM 581 CA GLY A 40 7.560 -12.702 -5.177 1.00 0.00 C ATOM 582 C GLY A 40 6.282 -12.602 -6.012 1.00 0.00 C ATOM 583 O GLY A 40 5.938 -13.532 -6.741 1.00 0.00 O ATOM 0 H GLY A 40 7.474 -10.888 -4.130 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.413 -12.371 -5.770 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.743 -13.742 -4.909 1.00 0.00 H new ATOM 587 N TRP A 41 5.613 -11.467 -5.878 1.00 0.00 N ATOM 588 CA TRP A 41 4.381 -11.233 -6.612 1.00 0.00 C ATOM 589 C TRP A 41 3.335 -12.229 -6.107 1.00 0.00 C ATOM 590 O TRP A 41 2.289 -12.406 -6.731 1.00 0.00 O ATOM 591 CB TRP A 41 4.615 -11.325 -8.121 1.00 0.00 C ATOM 592 CG TRP A 41 5.726 -10.407 -8.635 1.00 0.00 C ATOM 593 CD1 TRP A 41 7.045 -10.514 -8.430 1.00 0.00 C ATOM 594 CD2 TRP A 41 5.558 -9.231 -9.455 1.00 0.00 C ATOM 595 NE1 TRP A 41 7.738 -9.497 -9.054 1.00 0.00 N ATOM 596 CE2 TRP A 41 6.805 -8.692 -9.697 1.00 0.00 C ATOM 597 CE3 TRP A 41 4.392 -8.642 -9.974 1.00 0.00 C ATOM 598 CZ2 TRP A 41 7.006 -7.538 -10.464 1.00 0.00 C ATOM 599 CZ3 TRP A 41 4.609 -7.489 -10.738 1.00 0.00 C ATOM 600 CH2 TRP A 41 5.858 -6.934 -10.992 1.00 0.00 C ATOM 0 H TRP A 41 5.901 -10.699 -5.272 1.00 0.00 H new ATOM 0 HA TRP A 41 4.013 -10.222 -6.437 1.00 0.00 H new ATOM 0 HB2 TRP A 41 4.861 -12.355 -8.378 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.687 -11.080 -8.638 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.508 -11.298 -7.849 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.749 -9.361 -9.045 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.406 -9.047 -9.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.993 -7.135 -10.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.745 -6.996 -11.160 1.00 0.00 H new ATOM 0 HH2 TRP A 41 5.943 -6.041 -11.594 1.00 0.00 H new ATOM 611 N ARG A 42 3.653 -12.855 -4.983 1.00 0.00 N ATOM 612 CA ARG A 42 2.754 -13.828 -4.388 1.00 0.00 C ATOM 613 C ARG A 42 2.332 -13.376 -2.989 1.00 0.00 C ATOM 614 O ARG A 42 3.083 -12.684 -2.303 1.00 0.00 O ATOM 615 CB ARG A 42 3.416 -15.204 -4.293 1.00 0.00 C ATOM 616 CG ARG A 42 2.384 -16.322 -4.449 1.00 0.00 C ATOM 617 CD ARG A 42 2.938 -17.655 -3.941 1.00 0.00 C ATOM 618 NE ARG A 42 3.365 -18.493 -5.084 1.00 0.00 N ATOM 619 CZ ARG A 42 4.063 -19.630 -4.961 1.00 0.00 C ATOM 620 NH1 ARG A 42 4.418 -20.072 -3.747 1.00 0.00 N ATOM 621 NH2 ARG A 42 4.408 -20.326 -6.054 1.00 0.00 N ATOM 0 H ARG A 42 4.521 -12.707 -4.469 1.00 0.00 H new ATOM 0 HA ARG A 42 1.876 -13.903 -5.030 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.179 -15.298 -5.066 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.921 -15.303 -3.332 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.479 -16.066 -3.897 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.102 -16.417 -5.497 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.782 -17.477 -3.274 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.177 -18.177 -3.361 1.00 0.00 H new ATOM 0 HE ARG A 42 3.112 -18.186 -6.023 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.157 -19.543 -2.915 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.949 -20.938 -3.655 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.139 -19.990 -6.979 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.939 -21.192 -5.961 1.00 0.00 H new ATOM 635 N ILE A 43 1.131 -13.784 -2.606 1.00 0.00 N ATOM 636 CA ILE A 43 0.600 -13.429 -1.301 1.00 0.00 C ATOM 637 C ILE A 43 0.278 -14.706 -0.522 1.00 0.00 C ATOM 638 O ILE A 43 -0.124 -15.710 -1.107 1.00 0.00 O ATOM 639 CB ILE A 43 -0.592 -12.481 -1.447 1.00 0.00 C ATOM 640 CG1 ILE A 43 -0.174 -11.175 -2.126 1.00 0.00 C ATOM 641 CG2 ILE A 43 -1.266 -12.235 -0.096 1.00 0.00 C ATOM 642 CD1 ILE A 43 -1.277 -10.660 -3.052 1.00 0.00 C ATOM 0 H ILE A 43 0.510 -14.357 -3.177 1.00 0.00 H new ATOM 0 HA ILE A 43 1.344 -12.881 -0.723 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.330 -12.957 -2.092 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.050 -10.423 -1.369 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.740 -11.335 -2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.110 -11.558 -0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.621 -13.182 0.311 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.548 -11.790 0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.954 -9.731 -3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.482 -11.404 -3.822 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.182 -10.478 -2.473 1.00 0.00 H new ATOM 654 N GLN A 44 0.467 -14.626 0.787 1.00 0.00 N ATOM 655 CA GLN A 44 0.202 -15.762 1.653 1.00 0.00 C ATOM 656 C GLN A 44 0.022 -15.297 3.099 1.00 0.00 C ATOM 657 O GLN A 44 0.147 -14.109 3.393 1.00 0.00 O ATOM 658 CB GLN A 44 1.317 -16.804 1.546 1.00 0.00 C ATOM 659 CG GLN A 44 1.113 -17.702 0.324 1.00 0.00 C ATOM 660 CD GLN A 44 1.690 -19.098 0.568 1.00 0.00 C ATOM 661 OE1 GLN A 44 2.887 -19.287 0.714 1.00 0.00 O ATOM 662 NE2 GLN A 44 0.776 -20.064 0.602 1.00 0.00 N ATOM 0 H GLN A 44 0.801 -13.791 1.269 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.724 -16.235 1.327 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.282 -16.303 1.476 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.338 -17.413 2.450 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.049 -17.778 0.098 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.593 -17.253 -0.546 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.210 -19.838 0.473 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.061 -21.031 0.758 1.00 0.00 H new ATOM 671 N ARG A 45 -0.267 -16.258 3.964 1.00 0.00 N ATOM 672 CA ARG A 45 -0.465 -15.962 5.373 1.00 0.00 C ATOM 673 C ARG A 45 0.852 -15.518 6.012 1.00 0.00 C ATOM 674 O ARG A 45 0.866 -15.041 7.146 1.00 0.00 O ATOM 675 CB ARG A 45 -1.002 -17.183 6.122 1.00 0.00 C ATOM 676 CG ARG A 45 -0.163 -18.426 5.818 1.00 0.00 C ATOM 677 CD ARG A 45 0.470 -18.987 7.093 1.00 0.00 C ATOM 678 NE ARG A 45 0.037 -20.387 7.299 1.00 0.00 N ATOM 679 CZ ARG A 45 -1.218 -20.750 7.593 1.00 0.00 C ATOM 680 NH1 ARG A 45 -2.173 -19.818 7.719 1.00 0.00 N ATOM 681 NH2 ARG A 45 -1.519 -22.045 7.762 1.00 0.00 N ATOM 0 H ARG A 45 -0.369 -17.242 3.717 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.196 -15.157 5.443 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.995 -16.988 7.194 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.039 -17.361 5.838 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.790 -19.187 5.354 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.618 -18.175 5.100 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.557 -18.941 7.020 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.182 -18.379 7.950 1.00 0.00 H new ATOM 0 HE ARG A 45 0.739 -21.122 7.212 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.944 -18.832 7.591 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.129 -20.094 7.943 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.792 -22.754 7.667 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.475 -22.321 7.986 1.00 0.00 H new ATOM 695 N GLN A 46 1.927 -15.690 5.257 1.00 0.00 N ATOM 696 CA GLN A 46 3.246 -15.314 5.736 1.00 0.00 C ATOM 697 C GLN A 46 3.528 -13.844 5.415 1.00 0.00 C ATOM 698 O GLN A 46 3.872 -13.066 6.303 1.00 0.00 O ATOM 699 CB GLN A 46 4.325 -16.221 5.141 1.00 0.00 C ATOM 700 CG GLN A 46 4.182 -17.654 5.657 1.00 0.00 C ATOM 701 CD GLN A 46 5.156 -17.923 6.806 1.00 0.00 C ATOM 702 OE1 GLN A 46 4.910 -17.591 7.954 1.00 0.00 O ATOM 703 NE2 GLN A 46 6.273 -18.542 6.434 1.00 0.00 N ATOM 0 H GLN A 46 1.911 -16.085 4.317 1.00 0.00 H new ATOM 0 HA GLN A 46 3.268 -15.441 6.818 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.252 -16.213 4.053 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.312 -15.835 5.397 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.160 -17.822 5.995 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.369 -18.357 4.845 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.416 -18.792 5.455 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.987 -18.767 7.127 1.00 0.00 H new ATOM 712 N ASP A 47 3.371 -13.509 4.143 1.00 0.00 N ATOM 713 CA ASP A 47 3.603 -12.147 3.694 1.00 0.00 C ATOM 714 C ASP A 47 2.493 -11.241 4.229 1.00 0.00 C ATOM 715 O ASP A 47 2.631 -10.019 4.232 1.00 0.00 O ATOM 716 CB ASP A 47 3.589 -12.060 2.166 1.00 0.00 C ATOM 717 CG ASP A 47 4.487 -13.073 1.453 1.00 0.00 C ATOM 718 OD1 ASP A 47 5.697 -12.779 1.342 1.00 0.00 O ATOM 719 OD2 ASP A 47 3.943 -14.117 1.034 1.00 0.00 O ATOM 0 H ASP A 47 3.086 -14.157 3.409 1.00 0.00 H new ATOM 0 HA ASP A 47 4.579 -11.833 4.064 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.565 -12.197 1.819 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.894 -11.056 1.871 1.00 0.00 H new ATOM 724 N ASP A 48 1.416 -11.876 4.669 1.00 0.00 N ATOM 725 CA ASP A 48 0.282 -11.142 5.206 1.00 0.00 C ATOM 726 C ASP A 48 0.790 -9.996 6.083 1.00 0.00 C ATOM 727 O ASP A 48 0.334 -8.861 5.954 1.00 0.00 O ATOM 728 CB ASP A 48 -0.598 -12.046 6.071 1.00 0.00 C ATOM 729 CG ASP A 48 -2.095 -11.979 5.762 1.00 0.00 C ATOM 730 OD1 ASP A 48 -2.420 -11.764 4.574 1.00 0.00 O ATOM 731 OD2 ASP A 48 -2.881 -12.144 6.720 1.00 0.00 O ATOM 0 H ASP A 48 1.305 -12.890 4.665 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.303 -10.764 4.368 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.263 -13.076 5.951 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.446 -11.782 7.118 1.00 0.00 H new ATOM 736 N GLU A 49 1.728 -10.333 6.957 1.00 0.00 N ATOM 737 CA GLU A 49 2.303 -9.347 7.855 1.00 0.00 C ATOM 738 C GLU A 49 2.845 -8.157 7.061 1.00 0.00 C ATOM 739 O GLU A 49 2.624 -7.006 7.432 1.00 0.00 O ATOM 740 CB GLU A 49 3.396 -9.969 8.726 1.00 0.00 C ATOM 741 CG GLU A 49 3.180 -9.631 10.202 1.00 0.00 C ATOM 742 CD GLU A 49 4.511 -9.338 10.898 1.00 0.00 C ATOM 743 OE1 GLU A 49 5.345 -10.268 10.945 1.00 0.00 O ATOM 744 OE2 GLU A 49 4.665 -8.189 11.367 1.00 0.00 O ATOM 0 H GLU A 49 2.104 -11.276 7.062 1.00 0.00 H new ATOM 0 HA GLU A 49 1.517 -8.987 8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.399 -11.051 8.594 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.372 -9.606 8.405 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.522 -8.766 10.288 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.680 -10.462 10.700 1.00 0.00 H new ATOM 751 N VAL A 50 3.545 -8.477 5.982 1.00 0.00 N ATOM 752 CA VAL A 50 4.121 -7.449 5.131 1.00 0.00 C ATOM 753 C VAL A 50 3.008 -6.784 4.318 1.00 0.00 C ATOM 754 O VAL A 50 3.000 -5.565 4.152 1.00 0.00 O ATOM 755 CB VAL A 50 5.223 -8.050 4.257 1.00 0.00 C ATOM 756 CG1 VAL A 50 6.081 -6.952 3.625 1.00 0.00 C ATOM 757 CG2 VAL A 50 6.085 -9.028 5.057 1.00 0.00 C ATOM 0 H VAL A 50 3.726 -9.434 5.678 1.00 0.00 H new ATOM 0 HA VAL A 50 4.591 -6.672 5.734 1.00 0.00 H new ATOM 0 HB VAL A 50 4.745 -8.607 3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.857 -7.406 3.009 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.454 -6.312 3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.545 -6.355 4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.861 -9.441 4.412 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.549 -8.504 5.893 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.461 -9.837 5.437 1.00 0.00 H new ATOM 767 N ILE A 51 2.097 -7.614 3.833 1.00 0.00 N ATOM 768 CA ILE A 51 0.982 -7.122 3.041 1.00 0.00 C ATOM 769 C ILE A 51 0.201 -6.089 3.855 1.00 0.00 C ATOM 770 O ILE A 51 0.253 -4.895 3.563 1.00 0.00 O ATOM 771 CB ILE A 51 0.126 -8.286 2.540 1.00 0.00 C ATOM 772 CG1 ILE A 51 0.975 -9.301 1.771 1.00 0.00 C ATOM 773 CG2 ILE A 51 -1.055 -7.780 1.709 1.00 0.00 C ATOM 774 CD1 ILE A 51 1.043 -8.944 0.285 1.00 0.00 C ATOM 0 H ILE A 51 2.108 -8.624 3.973 1.00 0.00 H new ATOM 0 HA ILE A 51 1.344 -6.615 2.146 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.287 -8.803 3.406 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.982 -9.329 2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.552 -10.299 1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.648 -8.628 1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.677 -7.127 2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.683 -7.224 0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.652 -9.681 -0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.037 -8.940 -0.135 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.488 -7.956 0.168 1.00 0.00 H new ATOM 786 N GLN A 52 -0.506 -6.586 4.859 1.00 0.00 N ATOM 787 CA GLN A 52 -1.297 -5.721 5.718 1.00 0.00 C ATOM 788 C GLN A 52 -0.471 -4.512 6.161 1.00 0.00 C ATOM 789 O GLN A 52 -0.955 -3.382 6.137 1.00 0.00 O ATOM 790 CB GLN A 52 -1.834 -6.491 6.926 1.00 0.00 C ATOM 791 CG GLN A 52 -3.170 -5.911 7.396 1.00 0.00 C ATOM 792 CD GLN A 52 -3.111 -5.527 8.876 1.00 0.00 C ATOM 793 OE1 GLN A 52 -3.701 -6.165 9.733 1.00 0.00 O ATOM 794 NE2 GLN A 52 -2.369 -4.453 9.127 1.00 0.00 N ATOM 0 H GLN A 52 -0.548 -7.577 5.097 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.153 -5.361 5.148 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.961 -7.542 6.665 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.109 -6.450 7.739 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.420 -5.034 6.799 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.963 -6.641 7.237 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.902 -3.966 8.362 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.267 -4.116 10.084 1.00 0.00 H new ATOM 803 N ARG A 53 0.764 -4.792 6.554 1.00 0.00 N ATOM 804 CA ARG A 53 1.662 -3.741 7.001 1.00 0.00 C ATOM 805 C ARG A 53 1.901 -2.732 5.876 1.00 0.00 C ATOM 806 O ARG A 53 1.805 -1.525 6.089 1.00 0.00 O ATOM 807 CB ARG A 53 3.005 -4.320 7.452 1.00 0.00 C ATOM 808 CG ARG A 53 4.056 -3.218 7.596 1.00 0.00 C ATOM 809 CD ARG A 53 3.666 -2.228 8.696 1.00 0.00 C ATOM 810 NE ARG A 53 4.878 -1.590 9.256 1.00 0.00 N ATOM 811 CZ ARG A 53 5.773 -2.225 10.026 1.00 0.00 C ATOM 812 NH1 ARG A 53 5.598 -3.518 10.331 1.00 0.00 N ATOM 813 NH2 ARG A 53 6.844 -1.566 10.490 1.00 0.00 N ATOM 0 H ARG A 53 1.163 -5.731 6.572 1.00 0.00 H new ATOM 0 HA ARG A 53 1.192 -3.241 7.848 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.881 -4.836 8.404 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.347 -5.061 6.730 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.024 -3.662 7.828 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.166 -2.690 6.649 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.998 -1.467 8.292 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.120 -2.745 9.485 1.00 0.00 H new ATOM 0 HE ARG A 53 5.043 -0.606 9.043 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.783 -4.020 9.977 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.279 -4.001 10.917 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.978 -0.582 10.257 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.525 -2.049 11.076 1.00 0.00 H new ATOM 827 N PHE A 54 2.209 -3.265 4.702 1.00 0.00 N ATOM 828 CA PHE A 54 2.462 -2.426 3.543 1.00 0.00 C ATOM 829 C PHE A 54 1.224 -1.604 3.180 1.00 0.00 C ATOM 830 O PHE A 54 1.333 -0.564 2.532 1.00 0.00 O ATOM 831 CB PHE A 54 2.799 -3.361 2.380 1.00 0.00 C ATOM 832 CG PHE A 54 2.719 -2.696 1.004 1.00 0.00 C ATOM 833 CD1 PHE A 54 1.507 -2.400 0.462 1.00 0.00 C ATOM 834 CD2 PHE A 54 3.859 -2.401 0.324 1.00 0.00 C ATOM 835 CE1 PHE A 54 1.433 -1.783 -0.815 1.00 0.00 C ATOM 836 CE2 PHE A 54 3.784 -1.784 -0.953 1.00 0.00 C ATOM 837 CZ PHE A 54 2.573 -1.488 -1.495 1.00 0.00 C ATOM 0 H PHE A 54 2.289 -4.267 4.529 1.00 0.00 H new ATOM 0 HA PHE A 54 3.275 -1.732 3.756 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.805 -3.755 2.524 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.117 -4.211 2.402 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.602 -2.634 1.002 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.821 -2.636 0.755 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.471 -1.548 -1.246 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.689 -1.550 -1.494 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.516 -1.018 -2.466 1.00 0.00 H new ATOM 847 N CYS A 55 0.075 -2.102 3.613 1.00 0.00 N ATOM 848 CA CYS A 55 -1.183 -1.427 3.341 1.00 0.00 C ATOM 849 C CYS A 55 -1.306 -0.237 4.296 1.00 0.00 C ATOM 850 O CYS A 55 -2.182 0.610 4.128 1.00 0.00 O ATOM 851 CB CYS A 55 -2.374 -2.380 3.460 1.00 0.00 C ATOM 852 SG CYS A 55 -2.318 -3.622 2.117 1.00 0.00 S ATOM 0 H CYS A 55 -0.011 -2.965 4.150 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.191 -1.068 2.312 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.356 -2.879 4.429 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -3.307 -1.818 3.408 1.00 0.00 H new ATOM 0 HG CYS A 55 -2.829 -3.114 1.035 1.00 0.00 H new ATOM 858 N GLN A 56 -0.416 -0.212 5.277 1.00 0.00 N ATOM 859 CA GLN A 56 -0.414 0.859 6.258 1.00 0.00 C ATOM 860 C GLN A 56 0.612 1.928 5.875 1.00 0.00 C ATOM 861 O GLN A 56 0.576 3.042 6.395 1.00 0.00 O ATOM 862 CB GLN A 56 -0.141 0.316 7.662 1.00 0.00 C ATOM 863 CG GLN A 56 1.318 0.542 8.064 1.00 0.00 C ATOM 864 CD GLN A 56 1.534 1.973 8.561 1.00 0.00 C ATOM 865 OE1 GLN A 56 0.718 2.542 9.268 1.00 0.00 O ATOM 866 NE2 GLN A 56 2.676 2.520 8.155 1.00 0.00 N ATOM 0 H GLN A 56 0.309 -0.917 5.413 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.402 1.318 6.267 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.799 0.806 8.379 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.370 -0.749 7.695 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.597 -0.164 8.846 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.968 0.347 7.211 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.315 1.988 7.564 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.913 3.472 8.435 1.00 0.00 H new ATOM 875 N GLU A 57 1.502 1.551 4.969 1.00 0.00 N ATOM 876 CA GLU A 57 2.535 2.463 4.510 1.00 0.00 C ATOM 877 C GLU A 57 2.138 3.085 3.170 1.00 0.00 C ATOM 878 O GLU A 57 2.585 4.180 2.833 1.00 0.00 O ATOM 879 CB GLU A 57 3.887 1.753 4.406 1.00 0.00 C ATOM 880 CG GLU A 57 3.990 0.960 3.102 1.00 0.00 C ATOM 881 CD GLU A 57 5.423 0.478 2.865 1.00 0.00 C ATOM 882 OE1 GLU A 57 6.273 1.347 2.575 1.00 0.00 O ATOM 883 OE2 GLU A 57 5.636 -0.748 2.980 1.00 0.00 O ATOM 0 H GLU A 57 1.529 0.626 4.540 1.00 0.00 H new ATOM 0 HA GLU A 57 2.637 3.263 5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.692 2.487 4.454 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.016 1.082 5.255 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.316 0.104 3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.669 1.583 2.267 1.00 0.00 H new ATOM 890 N THR A 58 1.302 2.359 2.442 1.00 0.00 N ATOM 891 CA THR A 58 0.839 2.826 1.146 1.00 0.00 C ATOM 892 C THR A 58 -0.649 3.174 1.205 1.00 0.00 C ATOM 893 O THR A 58 -1.085 4.155 0.605 1.00 0.00 O ATOM 894 CB THR A 58 1.171 1.750 0.110 1.00 0.00 C ATOM 895 OG1 THR A 58 0.518 0.582 0.601 1.00 0.00 O ATOM 896 CG2 THR A 58 2.654 1.375 0.109 1.00 0.00 C ATOM 0 H THR A 58 0.933 1.451 2.725 1.00 0.00 H new ATOM 0 HA THR A 58 1.344 3.746 0.853 1.00 0.00 H new ATOM 0 HB THR A 58 0.885 2.101 -0.882 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.189 -0.065 0.903 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.835 0.608 -0.644 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.252 2.257 -0.120 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.933 0.992 1.091 1.00 0.00 H new ATOM 904 N GLY A 59 -1.388 2.351 1.934 1.00 0.00 N ATOM 905 CA GLY A 59 -2.819 2.560 2.079 1.00 0.00 C ATOM 906 C GLY A 59 -3.598 1.775 1.021 1.00 0.00 C ATOM 907 O GLY A 59 -4.825 1.845 0.970 1.00 0.00 O ATOM 0 H GLY A 59 -1.023 1.538 2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.136 2.249 3.074 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.046 3.622 1.989 1.00 0.00 H new ATOM 911 N VAL A 60 -2.853 1.046 0.203 1.00 0.00 N ATOM 912 CA VAL A 60 -3.458 0.250 -0.850 1.00 0.00 C ATOM 913 C VAL A 60 -4.124 -0.982 -0.234 1.00 0.00 C ATOM 914 O VAL A 60 -3.600 -1.567 0.712 1.00 0.00 O ATOM 915 CB VAL A 60 -2.409 -0.104 -1.907 1.00 0.00 C ATOM 916 CG1 VAL A 60 -3.004 -1.008 -2.988 1.00 0.00 C ATOM 917 CG2 VAL A 60 -1.801 1.159 -2.520 1.00 0.00 C ATOM 0 H VAL A 60 -1.836 0.990 0.249 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.235 0.819 -1.360 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.608 -0.655 -1.414 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.238 -1.245 -3.727 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.366 -1.930 -2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.832 -0.495 -3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.059 0.880 -3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.587 1.749 -2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.324 1.749 -1.738 1.00 0.00 H new ATOM 927 N PRO A 61 -5.301 -1.347 -0.810 1.00 0.00 N ATOM 928 CA PRO A 61 -6.045 -2.498 -0.327 1.00 0.00 C ATOM 929 C PRO A 61 -5.382 -3.804 -0.770 1.00 0.00 C ATOM 930 O PRO A 61 -4.835 -3.886 -1.869 1.00 0.00 O ATOM 931 CB PRO A 61 -7.447 -2.324 -0.888 1.00 0.00 C ATOM 932 CG PRO A 61 -7.317 -1.338 -2.037 1.00 0.00 C ATOM 933 CD PRO A 61 -5.952 -0.677 -1.932 1.00 0.00 C ATOM 0 HA PRO A 61 -6.070 -2.556 0.761 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.850 -3.276 -1.234 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.129 -1.947 -0.125 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.420 -1.851 -2.993 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.108 -0.590 -1.989 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.381 -0.800 -2.852 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.044 0.395 -1.754 1.00 0.00 H new ATOM 941 N ARG A 62 -5.452 -4.794 0.108 1.00 0.00 N ATOM 942 CA ARG A 62 -4.866 -6.092 -0.178 1.00 0.00 C ATOM 943 C ARG A 62 -5.352 -6.606 -1.534 1.00 0.00 C ATOM 944 O ARG A 62 -4.547 -6.894 -2.419 1.00 0.00 O ATOM 945 CB ARG A 62 -5.227 -7.111 0.905 1.00 0.00 C ATOM 946 CG ARG A 62 -4.665 -8.493 0.567 1.00 0.00 C ATOM 947 CD ARG A 62 -4.733 -9.424 1.779 1.00 0.00 C ATOM 948 NE ARG A 62 -5.022 -10.807 1.340 1.00 0.00 N ATOM 949 CZ ARG A 62 -5.541 -11.754 2.133 1.00 0.00 C ATOM 950 NH1 ARG A 62 -5.830 -11.474 3.410 1.00 0.00 N ATOM 951 NH2 ARG A 62 -5.770 -12.983 1.648 1.00 0.00 N ATOM 0 H ARG A 62 -5.906 -4.723 1.019 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.783 -5.969 -0.198 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.834 -6.780 1.866 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.311 -7.170 1.007 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.227 -8.926 -0.260 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.631 -8.398 0.235 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.789 -9.396 2.323 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.507 -9.083 2.467 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.813 -11.055 0.373 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.655 -10.539 3.779 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.225 -12.195 4.013 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.549 -13.197 0.675 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.165 -13.704 2.252 1.00 0.00 H new ATOM 965 N GLN A 63 -6.668 -6.707 -1.656 1.00 0.00 N ATOM 966 CA GLN A 63 -7.271 -7.182 -2.890 1.00 0.00 C ATOM 967 C GLN A 63 -6.626 -6.495 -4.095 1.00 0.00 C ATOM 968 O GLN A 63 -6.510 -7.090 -5.165 1.00 0.00 O ATOM 969 CB GLN A 63 -8.785 -6.962 -2.880 1.00 0.00 C ATOM 970 CG GLN A 63 -9.474 -7.842 -3.925 1.00 0.00 C ATOM 971 CD GLN A 63 -10.897 -7.354 -4.201 1.00 0.00 C ATOM 972 OE1 GLN A 63 -11.479 -6.594 -3.443 1.00 0.00 O ATOM 973 NE2 GLN A 63 -11.425 -7.831 -5.325 1.00 0.00 N ATOM 0 H GLN A 63 -7.333 -6.468 -0.921 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.093 -8.254 -2.969 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.182 -7.188 -1.890 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.005 -5.913 -3.080 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.897 -7.834 -4.850 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.501 -8.874 -3.576 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.884 -8.463 -5.914 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.371 -7.564 -5.597 1.00 0.00 H new ATOM 982 N VAL A 64 -6.222 -5.251 -3.881 1.00 0.00 N ATOM 983 CA VAL A 64 -5.591 -4.477 -4.936 1.00 0.00 C ATOM 984 C VAL A 64 -4.129 -4.907 -5.075 1.00 0.00 C ATOM 985 O VAL A 64 -3.677 -5.240 -6.169 1.00 0.00 O ATOM 986 CB VAL A 64 -5.749 -2.981 -4.654 1.00 0.00 C ATOM 987 CG1 VAL A 64 -4.595 -2.183 -5.264 1.00 0.00 C ATOM 988 CG2 VAL A 64 -7.099 -2.468 -5.161 1.00 0.00 C ATOM 0 H VAL A 64 -6.320 -4.760 -2.992 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.078 -4.668 -5.892 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.720 -2.838 -3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.732 -1.123 -5.049 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.652 -2.521 -4.835 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.578 -2.335 -6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.186 -1.403 -4.948 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.169 -2.630 -6.237 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.904 -3.005 -4.660 1.00 0.00 H new ATOM 998 N LEU A 65 -3.431 -4.888 -3.949 1.00 0.00 N ATOM 999 CA LEU A 65 -2.030 -5.272 -3.931 1.00 0.00 C ATOM 1000 C LEU A 65 -1.876 -6.654 -4.569 1.00 0.00 C ATOM 1001 O LEU A 65 -0.799 -7.004 -5.049 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.468 -5.184 -2.511 1.00 0.00 C ATOM 1003 CG LEU A 65 0.048 -5.340 -2.378 1.00 0.00 C ATOM 1004 CD1 LEU A 65 0.493 -6.746 -2.785 1.00 0.00 C ATOM 1005 CD2 LEU A 65 0.782 -4.255 -3.169 1.00 0.00 C ATOM 0 H LEU A 65 -3.810 -4.613 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.437 -4.578 -4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.752 -4.220 -2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.947 -5.952 -1.904 1.00 0.00 H new ATOM 0 HG LEU A 65 0.314 -5.210 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.575 -6.830 -2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.009 -7.481 -2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.213 -6.930 -3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.858 -4.389 -3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.514 -4.329 -4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.497 -3.273 -2.791 1.00 0.00 H new ATOM 1017 N LYS A 66 -2.969 -7.402 -4.554 1.00 0.00 N ATOM 1018 CA LYS A 66 -2.970 -8.738 -5.125 1.00 0.00 C ATOM 1019 C LYS A 66 -3.115 -8.639 -6.645 1.00 0.00 C ATOM 1020 O LYS A 66 -2.159 -8.881 -7.380 1.00 0.00 O ATOM 1021 CB LYS A 66 -4.042 -9.605 -4.461 1.00 0.00 C ATOM 1022 CG LYS A 66 -4.352 -10.840 -5.309 1.00 0.00 C ATOM 1023 CD LYS A 66 -5.163 -11.863 -4.511 1.00 0.00 C ATOM 1024 CE LYS A 66 -6.636 -11.837 -4.924 1.00 0.00 C ATOM 1025 NZ LYS A 66 -6.864 -12.723 -6.088 1.00 0.00 N ATOM 0 H LYS A 66 -3.861 -7.108 -4.155 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.021 -9.237 -4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.703 -9.914 -3.472 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.951 -9.020 -4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.908 -10.544 -6.199 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.422 -11.294 -5.650 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.754 -12.861 -4.671 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.076 -11.650 -3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.260 -12.156 -4.089 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.932 -10.818 -5.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.869 -12.694 -6.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.283 -12.401 -6.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.600 -13.698 -5.839 1.00 0.00 H new ATOM 1039 N VAL A 67 -4.317 -8.282 -7.071 1.00 0.00 N ATOM 1040 CA VAL A 67 -4.600 -8.147 -8.490 1.00 0.00 C ATOM 1041 C VAL A 67 -3.518 -7.282 -9.140 1.00 0.00 C ATOM 1042 O VAL A 67 -2.995 -7.628 -10.199 1.00 0.00 O ATOM 1043 CB VAL A 67 -6.011 -7.592 -8.692 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -7.066 -8.585 -8.200 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -6.171 -6.236 -8.003 1.00 0.00 C ATOM 0 H VAL A 67 -5.107 -8.082 -6.458 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.576 -9.121 -8.979 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.163 -7.444 -9.761 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.060 -8.166 -8.355 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.975 -9.518 -8.756 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.916 -8.779 -7.138 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.183 -5.864 -8.162 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.989 -6.347 -6.934 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.455 -5.529 -8.421 1.00 0.00 H new ATOM 1055 N TRP A 68 -3.215 -6.174 -8.480 1.00 0.00 N ATOM 1056 CA TRP A 68 -2.205 -5.257 -8.982 1.00 0.00 C ATOM 1057 C TRP A 68 -1.075 -6.087 -9.594 1.00 0.00 C ATOM 1058 O TRP A 68 -0.810 -5.993 -10.791 1.00 0.00 O ATOM 1059 CB TRP A 68 -1.724 -4.315 -7.877 1.00 0.00 C ATOM 1060 CG TRP A 68 -0.662 -3.312 -8.333 1.00 0.00 C ATOM 1061 CD1 TRP A 68 -0.845 -2.064 -8.784 1.00 0.00 C ATOM 1062 CD2 TRP A 68 0.765 -3.526 -8.364 1.00 0.00 C ATOM 1063 NE1 TRP A 68 0.354 -1.460 -9.102 1.00 0.00 N ATOM 1064 CE2 TRP A 68 1.364 -2.377 -8.839 1.00 0.00 C ATOM 1065 CE3 TRP A 68 1.524 -4.653 -8.003 1.00 0.00 C ATOM 1066 CZ2 TRP A 68 2.749 -2.243 -8.996 1.00 0.00 C ATOM 1067 CZ3 TRP A 68 2.907 -4.503 -8.166 1.00 0.00 C ATOM 1068 CH2 TRP A 68 3.526 -3.354 -8.643 1.00 0.00 C ATOM 0 H TRP A 68 -3.651 -5.890 -7.602 1.00 0.00 H new ATOM 0 HA TRP A 68 -2.620 -4.611 -9.756 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.580 -3.768 -7.482 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.320 -4.909 -7.058 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -1.810 -1.590 -8.886 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.476 -0.514 -9.464 1.00 0.00 H new ATOM 0 HE3 TRP A 68 1.076 -5.562 -7.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 3.194 -1.332 -9.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.537 -5.340 -7.902 1.00 0.00 H new ATOM 0 HH2 TRP A 68 4.601 -3.318 -8.741 1.00 0.00 H new ATOM 1079 N LEU A 69 -0.440 -6.881 -8.745 1.00 0.00 N ATOM 1080 CA LEU A 69 0.655 -7.727 -9.187 1.00 0.00 C ATOM 1081 C LEU A 69 0.276 -8.394 -10.511 1.00 0.00 C ATOM 1082 O LEU A 69 1.053 -8.375 -11.465 1.00 0.00 O ATOM 1083 CB LEU A 69 1.044 -8.718 -8.089 1.00 0.00 C ATOM 1084 CG LEU A 69 1.384 -8.110 -6.726 1.00 0.00 C ATOM 1085 CD1 LEU A 69 1.056 -9.085 -5.594 1.00 0.00 C ATOM 1086 CD2 LEU A 69 2.842 -7.648 -6.681 1.00 0.00 C ATOM 0 H LEU A 69 -0.663 -6.956 -7.753 1.00 0.00 H new ATOM 0 HA LEU A 69 1.547 -7.129 -9.374 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.223 -9.423 -7.956 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.904 -9.292 -8.433 1.00 0.00 H new ATOM 0 HG LEU A 69 0.762 -7.227 -6.580 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.307 -8.629 -4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.008 -9.322 -5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.635 -10.000 -5.723 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.058 -7.220 -5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.499 -8.500 -6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.009 -6.895 -7.451 1.00 0.00 H new