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= -0.486 USER MOD Single : A 28 GLN : amide:sc= -6.64! C(o=-6.6!,f=-7.7!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -144:sc= -7.03! (180deg=-11.9!) USER MOD Single : A 44 GLN : amide:sc=-0.00981 X(o=-0.0098,f=-0.039) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 55 CYS SG : rot -94:sc= 0.394 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot -94:sc= 0.881 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 288 N LYS A 23 -4.516 4.352 -9.161 1.00 0.00 N ATOM 289 CA LYS A 23 -3.575 5.373 -9.591 1.00 0.00 C ATOM 290 C LYS A 23 -2.321 5.306 -8.717 1.00 0.00 C ATOM 291 O LYS A 23 -2.088 6.189 -7.892 1.00 0.00 O ATOM 292 CB LYS A 23 -4.245 6.749 -9.602 1.00 0.00 C ATOM 293 CG LYS A 23 -4.335 7.304 -11.025 1.00 0.00 C ATOM 294 CD LYS A 23 -3.022 7.974 -11.436 1.00 0.00 C ATOM 295 CE LYS A 23 -3.092 8.477 -12.879 1.00 0.00 C ATOM 296 NZ LYS A 23 -2.804 9.928 -12.936 1.00 0.00 N ATOM 0 HA LYS A 23 -3.258 5.190 -10.618 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.244 6.674 -9.173 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.680 7.438 -8.974 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.569 6.497 -11.720 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.150 8.025 -11.087 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.810 8.807 -10.766 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.200 7.265 -11.333 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.376 7.933 -13.495 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.081 8.280 -13.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.856 10.254 -13.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.503 10.443 -12.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.851 10.108 -12.562 1.00 0.00 H new ATOM 310 N PHE A 24 -1.548 4.252 -8.927 1.00 0.00 N ATOM 311 CA PHE A 24 -0.323 4.058 -8.169 1.00 0.00 C ATOM 312 C PHE A 24 0.778 5.004 -8.654 1.00 0.00 C ATOM 313 O PHE A 24 1.224 4.907 -9.796 1.00 0.00 O ATOM 314 CB PHE A 24 0.123 2.613 -8.400 1.00 0.00 C ATOM 315 CG PHE A 24 -1.032 1.614 -8.499 1.00 0.00 C ATOM 316 CD1 PHE A 24 -1.748 1.290 -7.389 1.00 0.00 C ATOM 317 CD2 PHE A 24 -1.342 1.050 -9.697 1.00 0.00 C ATOM 318 CE1 PHE A 24 -2.819 0.362 -7.481 1.00 0.00 C ATOM 319 CE2 PHE A 24 -2.413 0.123 -9.789 1.00 0.00 C ATOM 320 CZ PHE A 24 -3.129 -0.202 -8.680 1.00 0.00 C ATOM 0 H PHE A 24 -1.746 3.522 -9.612 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.502 4.264 -7.114 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.710 2.567 -9.318 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.781 2.312 -7.585 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.502 1.738 -6.438 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.773 1.307 -10.578 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.387 0.104 -6.600 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.659 -0.324 -10.741 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.944 -0.908 -8.751 1.00 0.00 H new ATOM 330 N THR A 25 1.184 5.895 -7.762 1.00 0.00 N ATOM 331 CA THR A 25 2.224 6.857 -8.086 1.00 0.00 C ATOM 332 C THR A 25 3.606 6.226 -7.909 1.00 0.00 C ATOM 333 O THR A 25 3.737 5.173 -7.287 1.00 0.00 O ATOM 334 CB THR A 25 2.006 8.098 -7.218 1.00 0.00 C ATOM 335 OG1 THR A 25 3.299 8.690 -7.129 1.00 0.00 O ATOM 336 CG2 THR A 25 1.656 7.747 -5.771 1.00 0.00 C ATOM 0 H THR A 25 0.812 5.971 -6.815 1.00 0.00 H new ATOM 0 HA THR A 25 2.172 7.161 -9.131 1.00 0.00 H new ATOM 0 HB THR A 25 1.209 8.705 -7.646 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.250 9.503 -6.584 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.512 8.664 -5.199 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.739 7.159 -5.751 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.468 7.168 -5.330 1.00 0.00 H new ATOM 344 N ALA A 26 4.603 6.898 -8.467 1.00 0.00 N ATOM 345 CA ALA A 26 5.971 6.416 -8.378 1.00 0.00 C ATOM 346 C ALA A 26 6.190 5.760 -7.014 1.00 0.00 C ATOM 347 O ALA A 26 6.923 4.779 -6.902 1.00 0.00 O ATOM 348 CB ALA A 26 6.938 7.576 -8.629 1.00 0.00 C ATOM 0 H ALA A 26 4.491 7.771 -8.982 1.00 0.00 H new ATOM 0 HA ALA A 26 6.161 5.661 -9.140 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.964 7.215 -8.562 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.762 7.988 -9.623 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.777 8.352 -7.881 1.00 0.00 H new ATOM 354 N GLU A 27 5.539 6.328 -6.009 1.00 0.00 N ATOM 355 CA GLU A 27 5.653 5.811 -4.656 1.00 0.00 C ATOM 356 C GLU A 27 4.952 4.455 -4.546 1.00 0.00 C ATOM 357 O GLU A 27 5.607 3.424 -4.402 1.00 0.00 O ATOM 358 CB GLU A 27 5.087 6.805 -3.639 1.00 0.00 C ATOM 359 CG GLU A 27 6.004 6.925 -2.421 1.00 0.00 C ATOM 360 CD GLU A 27 5.378 7.820 -1.350 1.00 0.00 C ATOM 361 OE1 GLU A 27 4.997 8.955 -1.710 1.00 0.00 O ATOM 362 OE2 GLU A 27 5.295 7.350 -0.194 1.00 0.00 O ATOM 0 H GLU A 27 4.931 7.141 -6.105 1.00 0.00 H new ATOM 0 HA GLU A 27 6.710 5.672 -4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.969 7.782 -4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.096 6.481 -3.322 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.195 5.935 -2.007 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.967 7.335 -2.725 1.00 0.00 H new ATOM 369 N GLN A 28 3.630 4.500 -4.617 1.00 0.00 N ATOM 370 CA GLN A 28 2.834 3.288 -4.527 1.00 0.00 C ATOM 371 C GLN A 28 3.295 2.271 -5.574 1.00 0.00 C ATOM 372 O GLN A 28 3.446 1.089 -5.271 1.00 0.00 O ATOM 373 CB GLN A 28 1.344 3.598 -4.683 1.00 0.00 C ATOM 374 CG GLN A 28 0.885 4.621 -3.642 1.00 0.00 C ATOM 375 CD GLN A 28 0.879 4.010 -2.239 1.00 0.00 C ATOM 376 OE1 GLN A 28 -0.148 3.622 -1.706 1.00 0.00 O ATOM 377 NE2 GLN A 28 2.081 3.947 -1.672 1.00 0.00 N ATOM 0 H GLN A 28 3.090 5.357 -4.736 1.00 0.00 H new ATOM 0 HA GLN A 28 2.980 2.854 -3.538 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.152 3.982 -5.685 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.765 2.681 -4.577 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.546 5.488 -3.662 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.115 4.976 -3.892 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.900 4.290 -2.174 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.183 3.556 -0.736 1.00 0.00 H new ATOM 386 N LYS A 29 3.505 2.769 -6.783 1.00 0.00 N ATOM 387 CA LYS A 29 3.945 1.919 -7.876 1.00 0.00 C ATOM 388 C LYS A 29 5.207 1.164 -7.452 1.00 0.00 C ATOM 389 O LYS A 29 5.224 -0.066 -7.442 1.00 0.00 O ATOM 390 CB LYS A 29 4.120 2.739 -9.156 1.00 0.00 C ATOM 391 CG LYS A 29 3.436 2.056 -10.342 1.00 0.00 C ATOM 392 CD LYS A 29 4.034 2.531 -11.668 1.00 0.00 C ATOM 393 CE LYS A 29 2.956 3.135 -12.571 1.00 0.00 C ATOM 394 NZ LYS A 29 3.492 3.372 -13.930 1.00 0.00 N ATOM 0 H LYS A 29 3.379 3.751 -7.030 1.00 0.00 H new ATOM 0 HA LYS A 29 3.187 1.171 -8.106 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.701 3.735 -9.014 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.181 2.867 -9.368 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.545 0.975 -10.256 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.368 2.271 -10.323 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.810 3.272 -11.476 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.512 1.693 -12.176 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.099 2.463 -12.624 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.600 4.073 -12.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.748 3.782 -14.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.295 4.030 -13.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.810 2.471 -14.340 1.00 0.00 H new ATOM 408 N GLU A 30 6.232 1.932 -7.113 1.00 0.00 N ATOM 409 CA GLU A 30 7.495 1.351 -6.690 1.00 0.00 C ATOM 410 C GLU A 30 7.298 0.523 -5.418 1.00 0.00 C ATOM 411 O GLU A 30 7.748 -0.619 -5.340 1.00 0.00 O ATOM 412 CB GLU A 30 8.554 2.434 -6.481 1.00 0.00 C ATOM 413 CG GLU A 30 9.068 2.964 -7.821 1.00 0.00 C ATOM 414 CD GLU A 30 10.531 3.398 -7.715 1.00 0.00 C ATOM 415 OE1 GLU A 30 10.787 4.348 -6.943 1.00 0.00 O ATOM 416 OE2 GLU A 30 11.361 2.771 -8.408 1.00 0.00 O ATOM 0 H GLU A 30 6.214 2.952 -7.123 1.00 0.00 H new ATOM 0 HA GLU A 30 7.851 0.689 -7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.131 3.254 -5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.385 2.029 -5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.969 2.192 -8.584 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.457 3.808 -8.141 1.00 0.00 H new ATOM 423 N ARG A 31 6.626 1.132 -4.452 1.00 0.00 N ATOM 424 CA ARG A 31 6.364 0.466 -3.188 1.00 0.00 C ATOM 425 C ARG A 31 5.906 -0.973 -3.431 1.00 0.00 C ATOM 426 O ARG A 31 6.411 -1.903 -2.805 1.00 0.00 O ATOM 427 CB ARG A 31 5.292 1.207 -2.386 1.00 0.00 C ATOM 428 CG ARG A 31 5.799 2.575 -1.926 1.00 0.00 C ATOM 429 CD ARG A 31 6.220 2.538 -0.455 1.00 0.00 C ATOM 430 NE ARG A 31 7.694 2.452 -0.353 1.00 0.00 N ATOM 431 CZ ARG A 31 8.381 2.649 0.781 1.00 0.00 C ATOM 432 NH1 ARG A 31 7.731 2.943 1.915 1.00 0.00 N ATOM 433 NH2 ARG A 31 9.717 2.551 0.780 1.00 0.00 N ATOM 0 H ARG A 31 6.255 2.080 -4.520 1.00 0.00 H new ATOM 0 HA ARG A 31 7.292 0.464 -2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.398 1.333 -2.997 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.005 0.612 -1.519 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.645 2.879 -2.542 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.018 3.322 -2.066 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.863 3.432 0.057 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.762 1.682 0.042 1.00 0.00 H new ATOM 0 HE ARG A 31 8.220 2.229 -1.198 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.714 3.017 1.915 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.253 3.093 2.778 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.211 2.327 -0.084 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.240 2.701 1.643 1.00 0.00 H new ATOM 447 N MET A 32 4.953 -1.111 -4.341 1.00 0.00 N ATOM 448 CA MET A 32 4.421 -2.422 -4.674 1.00 0.00 C ATOM 449 C MET A 32 5.452 -3.254 -5.439 1.00 0.00 C ATOM 450 O MET A 32 5.644 -4.433 -5.146 1.00 0.00 O ATOM 451 CB MET A 32 3.162 -2.259 -5.528 1.00 0.00 C ATOM 452 CG MET A 32 2.002 -1.709 -4.696 1.00 0.00 C ATOM 453 SD MET A 32 0.454 -2.011 -5.531 1.00 0.00 S ATOM 454 CE MET A 32 -0.149 -0.338 -5.681 1.00 0.00 C ATOM 0 H MET A 32 4.536 -0.337 -4.858 1.00 0.00 H new ATOM 0 HA MET A 32 4.178 -2.942 -3.747 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.368 -1.586 -6.361 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.882 -3.221 -5.957 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.993 -2.181 -3.714 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.135 -0.639 -4.535 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.232 -0.329 -5.560 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.307 0.284 -4.910 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.110 0.055 -6.664 1.00 0.00 H new ATOM 464 N LEU A 33 6.090 -2.607 -6.403 1.00 0.00 N ATOM 465 CA LEU A 33 7.097 -3.273 -7.212 1.00 0.00 C ATOM 466 C LEU A 33 8.187 -3.838 -6.298 1.00 0.00 C ATOM 467 O LEU A 33 8.603 -4.984 -6.457 1.00 0.00 O ATOM 468 CB LEU A 33 7.628 -2.329 -8.292 1.00 0.00 C ATOM 469 CG LEU A 33 7.052 -2.523 -9.696 1.00 0.00 C ATOM 470 CD1 LEU A 33 6.420 -1.229 -10.213 1.00 0.00 C ATOM 471 CD2 LEU A 33 8.113 -3.066 -10.654 1.00 0.00 C ATOM 0 H LEU A 33 5.929 -1.629 -6.642 1.00 0.00 H new ATOM 0 HA LEU A 33 6.660 -4.116 -7.747 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.431 -1.304 -7.979 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.711 -2.444 -8.346 1.00 0.00 H new ATOM 0 HG LEU A 33 6.259 -3.268 -9.640 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.018 -1.394 -11.213 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.615 -0.925 -9.544 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.176 -0.445 -10.251 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.677 -3.195 -11.645 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.945 -2.364 -10.712 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.475 -4.027 -10.289 1.00 0.00 H new ATOM 483 N ALA A 34 8.619 -3.005 -5.362 1.00 0.00 N ATOM 484 CA ALA A 34 9.653 -3.407 -4.423 1.00 0.00 C ATOM 485 C ALA A 34 9.129 -4.551 -3.553 1.00 0.00 C ATOM 486 O ALA A 34 9.888 -5.437 -3.164 1.00 0.00 O ATOM 487 CB ALA A 34 10.088 -2.197 -3.595 1.00 0.00 C ATOM 0 H ALA A 34 8.272 -2.054 -5.234 1.00 0.00 H new ATOM 0 HA ALA A 34 10.532 -3.773 -4.953 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.863 -2.498 -2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.479 -1.425 -4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.232 -1.805 -3.046 1.00 0.00 H new ATOM 493 N LEU A 35 7.835 -4.495 -3.273 1.00 0.00 N ATOM 494 CA LEU A 35 7.201 -5.515 -2.456 1.00 0.00 C ATOM 495 C LEU A 35 7.090 -6.811 -3.262 1.00 0.00 C ATOM 496 O LEU A 35 7.513 -7.870 -2.802 1.00 0.00 O ATOM 497 CB LEU A 35 5.862 -5.011 -1.914 1.00 0.00 C ATOM 498 CG LEU A 35 4.945 -6.072 -1.300 1.00 0.00 C ATOM 499 CD1 LEU A 35 5.516 -6.593 0.020 1.00 0.00 C ATOM 500 CD2 LEU A 35 3.521 -5.537 -1.137 1.00 0.00 C ATOM 0 H LEU A 35 7.208 -3.759 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 35 7.811 -5.735 -1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.061 -4.250 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.325 -4.521 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 35 4.895 -6.918 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.845 -7.345 0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.495 -7.038 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.615 -5.767 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.890 -6.310 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.533 -4.665 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.125 -5.255 -2.112 1.00 0.00 H new ATOM 512 N ALA A 36 6.518 -6.684 -4.450 1.00 0.00 N ATOM 513 CA ALA A 36 6.346 -7.832 -5.324 1.00 0.00 C ATOM 514 C ALA A 36 7.693 -8.533 -5.510 1.00 0.00 C ATOM 515 O ALA A 36 7.784 -9.754 -5.391 1.00 0.00 O ATOM 516 CB ALA A 36 5.737 -7.377 -6.652 1.00 0.00 C ATOM 0 H ALA A 36 6.168 -5.804 -4.828 1.00 0.00 H new ATOM 0 HA ALA A 36 5.658 -8.552 -4.880 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.608 -8.238 -7.307 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.768 -6.913 -6.468 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.400 -6.655 -7.128 1.00 0.00 H new ATOM 522 N GLU A 37 8.706 -7.730 -5.800 1.00 0.00 N ATOM 523 CA GLU A 37 10.045 -8.257 -6.004 1.00 0.00 C ATOM 524 C GLU A 37 10.614 -8.783 -4.685 1.00 0.00 C ATOM 525 O GLU A 37 11.676 -9.404 -4.667 1.00 0.00 O ATOM 526 CB GLU A 37 10.964 -7.198 -6.615 1.00 0.00 C ATOM 527 CG GLU A 37 10.689 -7.030 -8.110 1.00 0.00 C ATOM 528 CD GLU A 37 11.983 -6.753 -8.878 1.00 0.00 C ATOM 529 OE1 GLU A 37 12.855 -7.648 -8.863 1.00 0.00 O ATOM 530 OE2 GLU A 37 12.071 -5.651 -9.463 1.00 0.00 O ATOM 0 H GLU A 37 8.627 -6.718 -5.899 1.00 0.00 H new ATOM 0 HA GLU A 37 9.985 -9.087 -6.708 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.817 -6.246 -6.105 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.005 -7.483 -6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.216 -7.931 -8.500 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.988 -6.210 -8.264 1.00 0.00 H new ATOM 537 N ARG A 38 9.883 -8.516 -3.613 1.00 0.00 N ATOM 538 CA ARG A 38 10.302 -8.954 -2.292 1.00 0.00 C ATOM 539 C ARG A 38 9.547 -10.223 -1.890 1.00 0.00 C ATOM 540 O ARG A 38 10.156 -11.200 -1.456 1.00 0.00 O ATOM 541 CB ARG A 38 10.053 -7.866 -1.246 1.00 0.00 C ATOM 542 CG ARG A 38 9.811 -8.479 0.135 1.00 0.00 C ATOM 543 CD ARG A 38 9.894 -7.414 1.230 1.00 0.00 C ATOM 544 NE ARG A 38 10.602 -7.956 2.411 1.00 0.00 N ATOM 545 CZ ARG A 38 10.737 -7.301 3.572 1.00 0.00 C ATOM 546 NH1 ARG A 38 10.212 -6.077 3.716 1.00 0.00 N ATOM 547 NH2 ARG A 38 11.397 -7.871 4.590 1.00 0.00 N ATOM 0 H ARG A 38 9.002 -8.001 -3.632 1.00 0.00 H new ATOM 0 HA ARG A 38 11.371 -9.162 -2.335 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.910 -7.194 -1.204 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.191 -7.266 -1.538 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.830 -8.955 0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.548 -9.259 0.325 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.417 -6.534 0.854 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.892 -7.092 1.513 1.00 0.00 H new ATOM 0 HE ARG A 38 11.013 -8.887 2.337 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.709 -5.643 2.942 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.315 -5.579 4.600 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.796 -8.803 4.481 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.500 -7.373 5.474 1.00 0.00 H new ATOM 561 N ILE A 39 8.233 -10.166 -2.048 1.00 0.00 N ATOM 562 CA ILE A 39 7.389 -11.298 -1.707 1.00 0.00 C ATOM 563 C ILE A 39 7.465 -12.341 -2.824 1.00 0.00 C ATOM 564 O ILE A 39 7.381 -13.540 -2.565 1.00 0.00 O ATOM 565 CB ILE A 39 5.965 -10.831 -1.397 1.00 0.00 C ATOM 566 CG1 ILE A 39 5.317 -10.195 -2.629 1.00 0.00 C ATOM 567 CG2 ILE A 39 5.947 -9.891 -0.190 1.00 0.00 C ATOM 568 CD1 ILE A 39 3.862 -9.816 -2.348 1.00 0.00 C ATOM 0 H ILE A 39 7.732 -9.353 -2.408 1.00 0.00 H new ATOM 0 HA ILE A 39 7.747 -11.779 -0.797 1.00 0.00 H new ATOM 0 HB ILE A 39 5.368 -11.704 -1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.878 -9.307 -2.922 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.360 -10.891 -3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.923 -9.574 0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.342 -10.412 0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.563 -9.017 -0.400 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.425 -9.366 -3.239 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.299 -10.710 -2.079 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.824 -9.102 -1.525 1.00 0.00 H new ATOM 580 N GLY A 40 7.623 -11.845 -4.043 1.00 0.00 N ATOM 581 CA GLY A 40 7.711 -12.719 -5.200 1.00 0.00 C ATOM 582 C GLY A 40 6.417 -12.679 -6.017 1.00 0.00 C ATOM 583 O GLY A 40 6.033 -13.676 -6.626 1.00 0.00 O ATOM 0 H GLY A 40 7.692 -10.849 -4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.550 -12.416 -5.826 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.908 -13.740 -4.875 1.00 0.00 H new ATOM 587 N TRP A 41 5.782 -11.517 -6.002 1.00 0.00 N ATOM 588 CA TRP A 41 4.540 -11.334 -6.734 1.00 0.00 C ATOM 589 C TRP A 41 3.543 -12.387 -6.244 1.00 0.00 C ATOM 590 O TRP A 41 2.759 -12.918 -7.030 1.00 0.00 O ATOM 591 CB TRP A 41 4.779 -11.394 -8.244 1.00 0.00 C ATOM 592 CG TRP A 41 5.857 -10.429 -8.742 1.00 0.00 C ATOM 593 CD1 TRP A 41 7.178 -10.483 -8.522 1.00 0.00 C ATOM 594 CD2 TRP A 41 5.651 -9.256 -9.557 1.00 0.00 C ATOM 595 NE1 TRP A 41 7.835 -9.435 -9.134 1.00 0.00 N ATOM 596 CE2 TRP A 41 6.877 -8.666 -9.783 1.00 0.00 C ATOM 597 CE3 TRP A 41 4.467 -8.712 -10.086 1.00 0.00 C ATOM 598 CZ2 TRP A 41 7.039 -7.500 -10.543 1.00 0.00 C ATOM 599 CZ3 TRP A 41 4.646 -7.548 -10.843 1.00 0.00 C ATOM 600 CH2 TRP A 41 5.874 -6.941 -11.079 1.00 0.00 C ATOM 0 H TRP A 41 6.104 -10.693 -5.495 1.00 0.00 H new ATOM 0 HA TRP A 41 4.123 -10.345 -6.545 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.062 -12.411 -8.517 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.844 -11.175 -8.759 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.667 -11.250 -7.939 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.839 -9.258 -9.114 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.497 -9.157 -9.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.010 -7.057 -10.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.768 -7.089 -11.274 1.00 0.00 H new ATOM 0 HH2 TRP A 41 5.929 -6.041 -11.674 1.00 0.00 H new ATOM 611 N ARG A 42 3.606 -12.659 -4.949 1.00 0.00 N ATOM 612 CA ARG A 42 2.720 -13.639 -4.346 1.00 0.00 C ATOM 613 C ARG A 42 2.231 -13.145 -2.983 1.00 0.00 C ATOM 614 O ARG A 42 2.910 -12.358 -2.324 1.00 0.00 O ATOM 615 CB ARG A 42 3.425 -14.985 -4.169 1.00 0.00 C ATOM 616 CG ARG A 42 2.499 -16.143 -4.548 1.00 0.00 C ATOM 617 CD ARG A 42 2.946 -17.444 -3.877 1.00 0.00 C ATOM 618 NE ARG A 42 2.057 -18.554 -4.284 1.00 0.00 N ATOM 619 CZ ARG A 42 2.303 -19.846 -4.029 1.00 0.00 C ATOM 620 NH1 ARG A 42 3.412 -20.198 -3.365 1.00 0.00 N ATOM 621 NH2 ARG A 42 1.440 -20.787 -4.437 1.00 0.00 N ATOM 0 H ARG A 42 4.258 -12.217 -4.300 1.00 0.00 H new ATOM 0 HA ARG A 42 1.870 -13.772 -5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.322 -15.014 -4.788 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.748 -15.097 -3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.477 -15.909 -4.250 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.495 -16.271 -5.630 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.975 -17.671 -4.154 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.926 -17.330 -2.793 1.00 0.00 H new ATOM 0 HE ARG A 42 1.203 -18.321 -4.791 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.069 -19.482 -3.054 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.600 -21.182 -3.171 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.595 -20.520 -4.942 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.628 -21.770 -4.242 1.00 0.00 H new ATOM 635 N ILE A 43 1.057 -13.626 -2.601 1.00 0.00 N ATOM 636 CA ILE A 43 0.470 -13.243 -1.328 1.00 0.00 C ATOM 637 C ILE A 43 0.142 -14.502 -0.523 1.00 0.00 C ATOM 638 O ILE A 43 -0.707 -15.296 -0.924 1.00 0.00 O ATOM 639 CB ILE A 43 -0.734 -12.323 -1.549 1.00 0.00 C ATOM 640 CG1 ILE A 43 -0.301 -10.992 -2.166 1.00 0.00 C ATOM 641 CG2 ILE A 43 -1.517 -12.125 -0.250 1.00 0.00 C ATOM 642 CD1 ILE A 43 -1.418 -10.397 -3.025 1.00 0.00 C ATOM 0 H ILE A 43 0.497 -14.277 -3.151 1.00 0.00 H new ATOM 0 HA ILE A 43 1.181 -12.664 -0.739 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.406 -12.804 -2.260 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.032 -10.291 -1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.590 -11.142 -2.775 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.367 -11.468 -0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.875 -13.090 0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.867 -11.676 0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.084 -9.451 -3.452 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.667 -11.090 -3.829 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.300 -10.225 -2.407 1.00 0.00 H new ATOM 654 N GLN A 44 0.833 -14.644 0.599 1.00 0.00 N ATOM 655 CA GLN A 44 0.626 -15.793 1.464 1.00 0.00 C ATOM 656 C GLN A 44 0.271 -15.334 2.880 1.00 0.00 C ATOM 657 O GLN A 44 0.377 -14.151 3.198 1.00 0.00 O ATOM 658 CB GLN A 44 1.858 -16.700 1.475 1.00 0.00 C ATOM 659 CG GLN A 44 1.904 -17.577 0.221 1.00 0.00 C ATOM 660 CD GLN A 44 1.867 -19.061 0.589 1.00 0.00 C ATOM 661 OE1 GLN A 44 0.960 -19.541 1.250 1.00 0.00 O ATOM 662 NE2 GLN A 44 2.899 -19.760 0.125 1.00 0.00 N ATOM 0 H GLN A 44 1.536 -13.983 0.929 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.209 -16.374 1.071 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.761 -16.092 1.532 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.842 -17.331 2.364 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.060 -17.338 -0.426 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.810 -17.361 -0.345 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.624 -19.296 -0.422 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.965 -20.760 0.316 1.00 0.00 H new ATOM 671 N ARG A 45 -0.144 -16.295 3.692 1.00 0.00 N ATOM 672 CA ARG A 45 -0.516 -16.004 5.067 1.00 0.00 C ATOM 673 C ARG A 45 0.707 -15.541 5.861 1.00 0.00 C ATOM 674 O ARG A 45 0.575 -15.048 6.980 1.00 0.00 O ATOM 675 CB ARG A 45 -1.120 -17.235 5.746 1.00 0.00 C ATOM 676 CG ARG A 45 -0.222 -18.459 5.562 1.00 0.00 C ATOM 677 CD ARG A 45 -0.824 -19.435 4.550 1.00 0.00 C ATOM 678 NE ARG A 45 -0.838 -20.804 5.112 1.00 0.00 N ATOM 679 CZ ARG A 45 -1.291 -21.881 4.456 1.00 0.00 C ATOM 680 NH1 ARG A 45 -1.771 -21.755 3.212 1.00 0.00 N ATOM 681 NH2 ARG A 45 -1.264 -23.085 5.045 1.00 0.00 N ATOM 0 H ARG A 45 -0.231 -17.276 3.425 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.263 -15.210 5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.258 -17.037 6.809 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.106 -17.437 5.329 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.765 -18.143 5.224 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.085 -18.961 6.520 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.838 -19.128 4.295 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.244 -19.418 3.627 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.480 -20.936 6.058 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.792 -20.839 2.764 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.116 -22.575 2.713 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.899 -23.181 5.992 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.609 -23.905 4.546 1.00 0.00 H new ATOM 695 N GLN A 46 1.870 -15.717 5.250 1.00 0.00 N ATOM 696 CA GLN A 46 3.116 -15.323 5.886 1.00 0.00 C ATOM 697 C GLN A 46 3.413 -13.849 5.605 1.00 0.00 C ATOM 698 O GLN A 46 3.654 -13.074 6.529 1.00 0.00 O ATOM 699 CB GLN A 46 4.272 -16.213 5.425 1.00 0.00 C ATOM 700 CG GLN A 46 4.167 -17.611 6.038 1.00 0.00 C ATOM 701 CD GLN A 46 5.443 -17.971 6.802 1.00 0.00 C ATOM 702 OE1 GLN A 46 5.482 -17.994 8.021 1.00 0.00 O ATOM 703 NE2 GLN A 46 6.481 -18.251 6.019 1.00 0.00 N ATOM 0 H GLN A 46 1.976 -16.127 4.322 1.00 0.00 H new ATOM 0 HA GLN A 46 3.008 -15.452 6.963 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.267 -16.288 4.338 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.221 -15.758 5.709 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.311 -17.653 6.712 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.990 -18.345 5.252 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.380 -18.213 5.005 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.378 -18.504 6.433 1.00 0.00 H new ATOM 712 N ASP A 47 3.385 -13.506 4.326 1.00 0.00 N ATOM 713 CA ASP A 47 3.648 -12.138 3.912 1.00 0.00 C ATOM 714 C ASP A 47 2.498 -11.240 4.373 1.00 0.00 C ATOM 715 O ASP A 47 2.634 -10.018 4.403 1.00 0.00 O ATOM 716 CB ASP A 47 3.749 -12.033 2.389 1.00 0.00 C ATOM 717 CG ASP A 47 4.722 -13.017 1.736 1.00 0.00 C ATOM 718 OD1 ASP A 47 5.918 -12.954 2.093 1.00 0.00 O ATOM 719 OD2 ASP A 47 4.248 -13.810 0.894 1.00 0.00 O ATOM 0 H ASP A 47 3.184 -14.152 3.562 1.00 0.00 H new ATOM 0 HA ASP A 47 4.592 -11.826 4.358 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.758 -12.188 1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.052 -11.019 2.129 1.00 0.00 H new ATOM 724 N ASP A 48 1.392 -11.881 4.720 1.00 0.00 N ATOM 725 CA ASP A 48 0.219 -11.156 5.178 1.00 0.00 C ATOM 726 C ASP A 48 0.658 -10.006 6.086 1.00 0.00 C ATOM 727 O ASP A 48 0.285 -8.856 5.862 1.00 0.00 O ATOM 728 CB ASP A 48 -0.712 -12.065 5.983 1.00 0.00 C ATOM 729 CG ASP A 48 -2.172 -12.064 5.525 1.00 0.00 C ATOM 730 OD1 ASP A 48 -2.396 -11.720 4.345 1.00 0.00 O ATOM 731 OD2 ASP A 48 -3.030 -12.406 6.367 1.00 0.00 O ATOM 0 H ASP A 48 1.283 -12.895 4.693 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.311 -10.784 4.301 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.332 -13.085 5.933 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.675 -11.762 7.030 1.00 0.00 H new ATOM 736 N GLU A 49 1.445 -10.357 7.093 1.00 0.00 N ATOM 737 CA GLU A 49 1.939 -9.369 8.037 1.00 0.00 C ATOM 738 C GLU A 49 2.559 -8.186 7.290 1.00 0.00 C ATOM 739 O GLU A 49 2.329 -7.032 7.648 1.00 0.00 O ATOM 740 CB GLU A 49 2.943 -9.992 9.008 1.00 0.00 C ATOM 741 CG GLU A 49 2.304 -10.236 10.376 1.00 0.00 C ATOM 742 CD GLU A 49 1.967 -11.716 10.568 1.00 0.00 C ATOM 743 OE1 GLU A 49 2.925 -12.519 10.588 1.00 0.00 O ATOM 744 OE2 GLU A 49 0.758 -12.012 10.690 1.00 0.00 O ATOM 0 H GLU A 49 1.753 -11.312 7.276 1.00 0.00 H new ATOM 0 HA GLU A 49 1.097 -9.002 8.624 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.311 -10.934 8.601 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.805 -9.334 9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.984 -9.909 11.163 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.398 -9.638 10.470 1.00 0.00 H new ATOM 751 N VAL A 50 3.334 -8.514 6.267 1.00 0.00 N ATOM 752 CA VAL A 50 3.989 -7.493 5.467 1.00 0.00 C ATOM 753 C VAL A 50 2.954 -6.813 4.568 1.00 0.00 C ATOM 754 O VAL A 50 2.962 -5.592 4.421 1.00 0.00 O ATOM 755 CB VAL A 50 5.150 -8.108 4.682 1.00 0.00 C ATOM 756 CG1 VAL A 50 6.078 -7.022 4.136 1.00 0.00 C ATOM 757 CG2 VAL A 50 5.923 -9.110 5.542 1.00 0.00 C ATOM 0 H VAL A 50 3.523 -9.472 5.974 1.00 0.00 H new ATOM 0 HA VAL A 50 4.419 -6.723 6.108 1.00 0.00 H new ATOM 0 HB VAL A 50 4.732 -8.649 3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.894 -7.486 3.582 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.517 -6.364 3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.485 -6.441 4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.743 -9.532 4.961 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.324 -8.603 6.419 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.254 -9.910 5.859 1.00 0.00 H new ATOM 767 N ILE A 51 2.088 -7.633 3.992 1.00 0.00 N ATOM 768 CA ILE A 51 1.049 -7.126 3.112 1.00 0.00 C ATOM 769 C ILE A 51 0.208 -6.094 3.865 1.00 0.00 C ATOM 770 O ILE A 51 0.285 -4.899 3.582 1.00 0.00 O ATOM 771 CB ILE A 51 0.229 -8.280 2.529 1.00 0.00 C ATOM 772 CG1 ILE A 51 1.133 -9.290 1.819 1.00 0.00 C ATOM 773 CG2 ILE A 51 -0.878 -7.757 1.612 1.00 0.00 C ATOM 774 CD1 ILE A 51 1.347 -8.900 0.356 1.00 0.00 C ATOM 0 H ILE A 51 2.084 -8.645 4.117 1.00 0.00 H new ATOM 0 HA ILE A 51 1.491 -6.615 2.256 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.256 -8.805 3.352 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.095 -9.344 2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.687 -10.283 1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.445 -8.597 1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.544 -7.107 2.180 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.435 -7.194 0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.993 -9.634 -0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.386 -8.870 -0.157 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.815 -7.917 0.306 1.00 0.00 H new ATOM 786 N GLN A 52 -0.576 -6.592 4.810 1.00 0.00 N ATOM 787 CA GLN A 52 -1.431 -5.727 5.606 1.00 0.00 C ATOM 788 C GLN A 52 -0.637 -4.526 6.124 1.00 0.00 C ATOM 789 O GLN A 52 -1.113 -3.394 6.072 1.00 0.00 O ATOM 790 CB GLN A 52 -2.070 -6.501 6.761 1.00 0.00 C ATOM 791 CG GLN A 52 -3.438 -5.919 7.121 1.00 0.00 C ATOM 792 CD GLN A 52 -3.500 -5.539 8.602 1.00 0.00 C ATOM 793 OE1 GLN A 52 -3.250 -6.342 9.486 1.00 0.00 O ATOM 794 NE2 GLN A 52 -3.848 -4.274 8.822 1.00 0.00 N ATOM 0 H GLN A 52 -0.637 -7.583 5.042 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.235 -5.358 4.969 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.178 -7.550 6.485 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.416 -6.467 7.632 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.636 -5.040 6.508 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.218 -6.647 6.896 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.044 -3.655 8.035 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.919 -3.923 9.777 1.00 0.00 H new ATOM 803 N ARG A 53 0.561 -4.815 6.611 1.00 0.00 N ATOM 804 CA ARG A 53 1.426 -3.773 7.137 1.00 0.00 C ATOM 805 C ARG A 53 1.749 -2.750 6.046 1.00 0.00 C ATOM 806 O ARG A 53 1.565 -1.550 6.242 1.00 0.00 O ATOM 807 CB ARG A 53 2.731 -4.361 7.678 1.00 0.00 C ATOM 808 CG ARG A 53 3.775 -3.265 7.902 1.00 0.00 C ATOM 809 CD ARG A 53 3.323 -2.292 8.993 1.00 0.00 C ATOM 810 NE ARG A 53 4.474 -1.491 9.465 1.00 0.00 N ATOM 811 CZ ARG A 53 4.363 -0.379 10.204 1.00 0.00 C ATOM 812 NH1 ARG A 53 3.152 0.070 10.561 1.00 0.00 N ATOM 813 NH2 ARG A 53 5.462 0.284 10.587 1.00 0.00 N ATOM 0 H ARG A 53 0.953 -5.756 6.652 1.00 0.00 H new ATOM 0 HA ARG A 53 0.896 -3.283 7.954 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.538 -4.882 8.616 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.119 -5.100 6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.726 -3.716 8.184 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.943 -2.722 6.972 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.546 -1.634 8.605 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.887 -2.844 9.826 1.00 0.00 H new ATOM 0 HE ARG A 53 5.411 -1.805 9.212 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.315 -0.435 10.270 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.067 0.917 11.124 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.384 -0.058 10.316 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.377 1.131 11.150 1.00 0.00 H new ATOM 827 N PHE A 54 2.226 -3.263 4.921 1.00 0.00 N ATOM 828 CA PHE A 54 2.576 -2.409 3.799 1.00 0.00 C ATOM 829 C PHE A 54 1.397 -1.521 3.397 1.00 0.00 C ATOM 830 O PHE A 54 1.590 -0.441 2.840 1.00 0.00 O ATOM 831 CB PHE A 54 2.928 -3.330 2.629 1.00 0.00 C ATOM 832 CG PHE A 54 2.811 -2.664 1.257 1.00 0.00 C ATOM 833 CD1 PHE A 54 1.587 -2.467 0.698 1.00 0.00 C ATOM 834 CD2 PHE A 54 3.932 -2.270 0.595 1.00 0.00 C ATOM 835 CE1 PHE A 54 1.479 -1.849 -0.576 1.00 0.00 C ATOM 836 CE2 PHE A 54 3.824 -1.652 -0.679 1.00 0.00 C ATOM 837 CZ PHE A 54 2.600 -1.455 -1.238 1.00 0.00 C ATOM 0 H PHE A 54 2.378 -4.259 4.763 1.00 0.00 H new ATOM 0 HA PHE A 54 3.408 -1.760 4.071 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.947 -3.693 2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.273 -4.201 2.656 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.697 -2.781 1.223 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.904 -2.427 1.038 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.507 -1.692 -1.019 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.714 -1.338 -1.204 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.518 -0.986 -2.207 1.00 0.00 H new ATOM 847 N CYS A 55 0.201 -2.009 3.694 1.00 0.00 N ATOM 848 CA CYS A 55 -1.009 -1.273 3.370 1.00 0.00 C ATOM 849 C CYS A 55 -1.149 -0.118 4.364 1.00 0.00 C ATOM 850 O CYS A 55 -1.928 0.808 4.139 1.00 0.00 O ATOM 851 CB CYS A 55 -2.241 -2.181 3.372 1.00 0.00 C ATOM 852 SG CYS A 55 -2.097 -3.434 2.047 1.00 0.00 S ATOM 0 H CYS A 55 0.045 -2.905 4.155 1.00 0.00 H new ATOM 0 HA CYS A 55 -0.935 -0.874 2.359 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.339 -2.673 4.340 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -3.142 -1.586 3.224 1.00 0.00 H new ATOM 0 HG CYS A 55 -2.702 -3.007 0.978 1.00 0.00 H new ATOM 858 N GLN A 56 -0.384 -0.210 5.441 1.00 0.00 N ATOM 859 CA GLN A 56 -0.413 0.815 6.470 1.00 0.00 C ATOM 860 C GLN A 56 0.512 1.974 6.091 1.00 0.00 C ATOM 861 O GLN A 56 0.230 3.128 6.411 1.00 0.00 O ATOM 862 CB GLN A 56 -0.035 0.235 7.834 1.00 0.00 C ATOM 863 CG GLN A 56 -0.979 -0.904 8.227 1.00 0.00 C ATOM 864 CD GLN A 56 -1.400 -0.786 9.693 1.00 0.00 C ATOM 865 OE1 GLN A 56 -2.507 -0.387 10.017 1.00 0.00 O ATOM 866 NE2 GLN A 56 -0.459 -1.154 10.558 1.00 0.00 N ATOM 0 H GLN A 56 0.260 -0.979 5.624 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.431 1.198 6.545 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.991 -0.132 7.805 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.072 1.020 8.590 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.862 -0.886 7.589 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.487 -1.862 8.062 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.447 -1.479 10.219 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.643 -1.112 11.560 1.00 0.00 H new ATOM 875 N GLU A 57 1.597 1.626 5.416 1.00 0.00 N ATOM 876 CA GLU A 57 2.565 2.622 4.990 1.00 0.00 C ATOM 877 C GLU A 57 2.129 3.254 3.667 1.00 0.00 C ATOM 878 O GLU A 57 2.381 4.434 3.426 1.00 0.00 O ATOM 879 CB GLU A 57 3.963 2.012 4.872 1.00 0.00 C ATOM 880 CG GLU A 57 4.127 1.268 3.545 1.00 0.00 C ATOM 881 CD GLU A 57 5.578 0.832 3.337 1.00 0.00 C ATOM 882 OE1 GLU A 57 6.215 0.474 4.351 1.00 0.00 O ATOM 883 OE2 GLU A 57 6.019 0.865 2.167 1.00 0.00 O ATOM 0 H GLU A 57 1.827 0.668 5.153 1.00 0.00 H new ATOM 0 HA GLU A 57 2.609 3.405 5.747 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.714 2.798 4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.135 1.326 5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.475 0.394 3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.815 1.911 2.722 1.00 0.00 H new ATOM 890 N THR A 58 1.482 2.442 2.844 1.00 0.00 N ATOM 891 CA THR A 58 1.009 2.907 1.552 1.00 0.00 C ATOM 892 C THR A 58 -0.459 3.327 1.641 1.00 0.00 C ATOM 893 O THR A 58 -0.787 4.498 1.453 1.00 0.00 O ATOM 894 CB THR A 58 1.263 1.798 0.528 1.00 0.00 C ATOM 895 OG1 THR A 58 0.525 0.687 1.030 1.00 0.00 O ATOM 896 CG2 THR A 58 2.715 1.316 0.535 1.00 0.00 C ATOM 0 H THR A 58 1.274 1.464 3.047 1.00 0.00 H new ATOM 0 HA THR A 58 1.550 3.797 1.230 1.00 0.00 H new ATOM 0 HB THR A 58 1.005 2.157 -0.468 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.112 0.125 1.578 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.841 0.530 -0.209 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.376 2.149 0.298 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.964 0.925 1.522 1.00 0.00 H new ATOM 904 N GLY A 59 -1.305 2.348 1.928 1.00 0.00 N ATOM 905 CA GLY A 59 -2.731 2.601 2.044 1.00 0.00 C ATOM 906 C GLY A 59 -3.514 1.832 0.978 1.00 0.00 C ATOM 907 O GLY A 59 -4.739 1.919 0.919 1.00 0.00 O ATOM 0 H GLY A 59 -1.030 1.378 2.084 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.076 2.308 3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.924 3.669 1.942 1.00 0.00 H new ATOM 911 N VAL A 60 -2.773 1.096 0.162 1.00 0.00 N ATOM 912 CA VAL A 60 -3.382 0.313 -0.899 1.00 0.00 C ATOM 913 C VAL A 60 -4.075 -0.909 -0.291 1.00 0.00 C ATOM 914 O VAL A 60 -3.570 -1.504 0.659 1.00 0.00 O ATOM 915 CB VAL A 60 -2.331 -0.056 -1.947 1.00 0.00 C ATOM 916 CG1 VAL A 60 -2.925 -0.968 -3.023 1.00 0.00 C ATOM 917 CG2 VAL A 60 -1.714 1.198 -2.570 1.00 0.00 C ATOM 0 H VAL A 60 -1.757 1.026 0.215 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.144 0.897 -1.415 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.536 -0.606 -1.444 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.156 -1.215 -3.755 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.294 -1.884 -2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.749 -0.456 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.970 0.907 -3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.495 1.787 -3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.237 1.794 -1.792 1.00 0.00 H new ATOM 927 N PRO A 61 -5.251 -1.256 -0.881 1.00 0.00 N ATOM 928 CA PRO A 61 -6.017 -2.396 -0.408 1.00 0.00 C ATOM 929 C PRO A 61 -5.370 -3.711 -0.845 1.00 0.00 C ATOM 930 O PRO A 61 -4.824 -3.804 -1.944 1.00 0.00 O ATOM 931 CB PRO A 61 -7.410 -2.199 -0.983 1.00 0.00 C ATOM 932 CG PRO A 61 -7.253 -1.213 -2.129 1.00 0.00 C ATOM 933 CD PRO A 61 -5.879 -0.574 -2.009 1.00 0.00 C ATOM 0 HA PRO A 61 -6.054 -2.456 0.680 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.824 -3.144 -1.335 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.094 -1.813 -0.227 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.355 -1.722 -3.087 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.033 -0.452 -2.088 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.300 -0.705 -2.923 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.955 0.499 -1.831 1.00 0.00 H new ATOM 941 N ARG A 62 -5.453 -4.697 0.037 1.00 0.00 N ATOM 942 CA ARG A 62 -4.882 -6.003 -0.245 1.00 0.00 C ATOM 943 C ARG A 62 -5.387 -6.524 -1.592 1.00 0.00 C ATOM 944 O ARG A 62 -4.593 -6.848 -2.473 1.00 0.00 O ATOM 945 CB ARG A 62 -5.242 -7.009 0.851 1.00 0.00 C ATOM 946 CG ARG A 62 -4.731 -8.408 0.500 1.00 0.00 C ATOM 947 CD ARG A 62 -4.706 -9.309 1.736 1.00 0.00 C ATOM 948 NE ARG A 62 -5.343 -10.608 1.428 1.00 0.00 N ATOM 949 CZ ARG A 62 -5.527 -11.586 2.326 1.00 0.00 C ATOM 950 NH1 ARG A 62 -5.124 -11.417 3.592 1.00 0.00 N ATOM 951 NH2 ARG A 62 -6.115 -12.732 1.957 1.00 0.00 N ATOM 0 H ARG A 62 -5.907 -4.617 0.947 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.798 -5.891 -0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.812 -6.688 1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.323 -7.036 0.984 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.369 -8.851 -0.264 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.729 -8.337 0.077 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.677 -9.467 2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.229 -8.824 2.560 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.662 -10.770 0.473 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.677 -10.544 3.873 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.264 -12.161 4.275 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.422 -12.860 0.993 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.255 -13.476 2.640 1.00 0.00 H new ATOM 965 N GLN A 63 -6.706 -6.588 -1.708 1.00 0.00 N ATOM 966 CA GLN A 63 -7.326 -7.064 -2.933 1.00 0.00 C ATOM 967 C GLN A 63 -6.679 -6.399 -4.149 1.00 0.00 C ATOM 968 O GLN A 63 -6.588 -7.003 -5.217 1.00 0.00 O ATOM 969 CB GLN A 63 -8.836 -6.819 -2.913 1.00 0.00 C ATOM 970 CG GLN A 63 -9.575 -7.885 -3.725 1.00 0.00 C ATOM 971 CD GLN A 63 -11.082 -7.617 -3.739 1.00 0.00 C ATOM 972 OE1 GLN A 63 -11.679 -7.233 -2.747 1.00 0.00 O ATOM 973 NE2 GLN A 63 -11.660 -7.841 -4.916 1.00 0.00 N ATOM 0 H GLN A 63 -7.361 -6.318 -0.974 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.166 -8.140 -3.004 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.196 -6.826 -1.884 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.053 -5.831 -3.320 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.195 -7.898 -4.746 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.381 -8.870 -3.300 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -11.100 -8.162 -5.706 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.663 -7.692 -5.028 1.00 0.00 H new ATOM 982 N VAL A 64 -6.245 -5.163 -3.947 1.00 0.00 N ATOM 983 CA VAL A 64 -5.608 -4.410 -5.014 1.00 0.00 C ATOM 984 C VAL A 64 -4.166 -4.891 -5.183 1.00 0.00 C ATOM 985 O VAL A 64 -3.755 -5.259 -6.282 1.00 0.00 O ATOM 986 CB VAL A 64 -5.709 -2.910 -4.728 1.00 0.00 C ATOM 987 CG1 VAL A 64 -4.511 -2.159 -5.313 1.00 0.00 C ATOM 988 CG2 VAL A 64 -7.026 -2.338 -5.255 1.00 0.00 C ATOM 0 H VAL A 64 -6.322 -4.665 -3.060 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.120 -4.582 -5.961 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.695 -2.773 -3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.607 -1.095 -5.096 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.591 -2.538 -4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.480 -2.308 -6.392 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.072 -1.271 -5.038 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.085 -2.492 -6.332 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.862 -2.843 -4.770 1.00 0.00 H new ATOM 998 N LEU A 65 -3.437 -4.873 -4.077 1.00 0.00 N ATOM 999 CA LEU A 65 -2.049 -5.303 -4.088 1.00 0.00 C ATOM 1000 C LEU A 65 -1.961 -6.712 -4.678 1.00 0.00 C ATOM 1001 O LEU A 65 -0.897 -7.137 -5.125 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.439 -5.183 -2.690 1.00 0.00 C ATOM 1003 CG LEU A 65 0.084 -5.295 -2.611 1.00 0.00 C ATOM 1004 CD1 LEU A 65 0.551 -6.701 -2.993 1.00 0.00 C ATOM 1005 CD2 LEU A 65 0.759 -4.216 -3.460 1.00 0.00 C ATOM 0 H LEU A 65 -3.781 -4.567 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.454 -4.651 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.735 -4.223 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.874 -5.957 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 65 0.385 -5.125 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.638 -6.753 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.111 -7.428 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.237 -6.924 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.842 -4.319 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.454 -4.328 -4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.463 -3.231 -3.100 1.00 0.00 H new ATOM 1017 N LYS A 66 -3.094 -7.398 -4.660 1.00 0.00 N ATOM 1018 CA LYS A 66 -3.159 -8.751 -5.188 1.00 0.00 C ATOM 1019 C LYS A 66 -3.331 -8.693 -6.707 1.00 0.00 C ATOM 1020 O LYS A 66 -2.401 -8.996 -7.453 1.00 0.00 O ATOM 1021 CB LYS A 66 -4.249 -9.553 -4.475 1.00 0.00 C ATOM 1022 CG LYS A 66 -4.371 -10.959 -5.065 1.00 0.00 C ATOM 1023 CD LYS A 66 -4.870 -11.953 -4.016 1.00 0.00 C ATOM 1024 CE LYS A 66 -6.385 -12.146 -4.119 1.00 0.00 C ATOM 1025 NZ LYS A 66 -7.045 -11.748 -2.856 1.00 0.00 N ATOM 0 H LYS A 66 -3.975 -7.043 -4.288 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.227 -9.282 -4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.019 -9.620 -3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.203 -9.034 -4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.057 -10.943 -5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.402 -11.283 -5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.368 -12.911 -4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.612 -11.595 -3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.778 -11.552 -4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.610 -13.189 -4.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.072 -11.885 -2.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.682 -12.332 -2.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.845 -10.746 -2.660 1.00 0.00 H new ATOM 1039 N VAL A 67 -4.528 -8.302 -7.120 1.00 0.00 N ATOM 1040 CA VAL A 67 -4.834 -8.201 -8.537 1.00 0.00 C ATOM 1041 C VAL A 67 -3.754 -7.369 -9.230 1.00 0.00 C ATOM 1042 O VAL A 67 -3.390 -7.644 -10.372 1.00 0.00 O ATOM 1043 CB VAL A 67 -6.242 -7.633 -8.729 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -6.695 -7.770 -10.183 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -7.237 -8.301 -7.779 1.00 0.00 C ATOM 0 H VAL A 67 -5.297 -8.052 -6.498 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.830 -9.188 -9.000 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.210 -6.571 -8.487 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.699 -7.359 -10.292 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.008 -7.226 -10.831 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.702 -8.823 -10.464 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.230 -7.879 -7.936 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.263 -9.373 -7.975 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.928 -8.128 -6.748 1.00 0.00 H new ATOM 1055 N TRP A 68 -3.271 -6.367 -8.509 1.00 0.00 N ATOM 1056 CA TRP A 68 -2.239 -5.492 -9.041 1.00 0.00 C ATOM 1057 C TRP A 68 -1.180 -6.366 -9.716 1.00 0.00 C ATOM 1058 O TRP A 68 -0.884 -6.188 -10.897 1.00 0.00 O ATOM 1059 CB TRP A 68 -1.662 -4.595 -7.944 1.00 0.00 C ATOM 1060 CG TRP A 68 -0.550 -3.661 -8.424 1.00 0.00 C ATOM 1061 CD1 TRP A 68 -0.674 -2.494 -9.071 1.00 0.00 C ATOM 1062 CD2 TRP A 68 0.871 -3.865 -8.269 1.00 0.00 C ATOM 1063 NE1 TRP A 68 0.557 -1.933 -9.343 1.00 0.00 N ATOM 1064 CE2 TRP A 68 1.526 -2.793 -8.839 1.00 0.00 C ATOM 1065 CE3 TRP A 68 1.578 -4.920 -7.666 1.00 0.00 C ATOM 1066 CZ2 TRP A 68 2.921 -2.671 -8.864 1.00 0.00 C ATOM 1067 CZ3 TRP A 68 2.971 -4.784 -7.699 1.00 0.00 C ATOM 1068 CH2 TRP A 68 3.646 -3.711 -8.269 1.00 0.00 C ATOM 0 H TRP A 68 -3.575 -6.142 -7.562 1.00 0.00 H new ATOM 0 HA TRP A 68 -2.655 -4.812 -9.784 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.467 -3.996 -7.518 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.274 -5.223 -7.142 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -1.619 -2.048 -9.345 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.725 -1.050 -9.825 1.00 0.00 H new ATOM 0 HE3 TRP A 68 1.086 -5.768 -7.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 3.411 -1.822 -9.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.563 -5.568 -7.250 1.00 0.00 H new ATOM 0 HH2 TRP A 68 4.725 -3.679 -8.253 1.00 0.00 H new ATOM 1079 N LEU A 69 -0.639 -7.292 -8.939 1.00 0.00 N ATOM 1080 CA LEU A 69 0.380 -8.194 -9.448 1.00 0.00 C ATOM 1081 C LEU A 69 -0.063 -8.745 -10.805 1.00 0.00 C ATOM 1082 O LEU A 69 0.637 -8.583 -11.803 1.00 0.00 O ATOM 1083 CB LEU A 69 0.697 -9.280 -8.417 1.00 0.00 C ATOM 1084 CG LEU A 69 1.070 -8.788 -7.017 1.00 0.00 C ATOM 1085 CD1 LEU A 69 0.771 -9.856 -5.963 1.00 0.00 C ATOM 1086 CD2 LEU A 69 2.528 -8.327 -6.969 1.00 0.00 C ATOM 0 H LEU A 69 -0.887 -7.437 -7.960 1.00 0.00 H new ATOM 0 HA LEU A 69 1.315 -7.658 -9.612 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.170 -9.936 -8.331 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.519 -9.886 -8.798 1.00 0.00 H new ATOM 0 HG LEU A 69 0.451 -7.922 -6.782 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.045 -9.481 -4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.293 -10.094 -5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.347 -10.755 -6.182 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.768 -7.982 -5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.181 -9.159 -7.233 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.675 -7.511 -7.677 1.00 0.00 H new