USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 268 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 22 MET CE :methyl 175:sc= -4.52 (180deg=-4.83) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -133:sc= -0.181 (180deg=-3.77!) USER MOD Single : A 31 ASN : amide:sc= -0.721 K(o=-0.72,f=-4.1!) USER MOD Single : A 32 MET CE :methyl 153:sc= 0 (180deg=-0.234) USER MOD Single : A 34 TYR OH : rot -78:sc= 0.528 USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.35 K(o=-1.4,f=-3.9!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 94:sc= -1.26! USER MOD Single : A 54 GLN : amide:sc= -1.14 K(o=-1.1,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 304 N ALA A 21 -6.808 2.795 3.280 1.00 0.00 N ATOM 305 CA ALA A 21 -6.000 1.748 2.676 1.00 0.00 C ATOM 306 C ALA A 21 -6.101 0.479 3.524 1.00 0.00 C ATOM 307 O ALA A 21 -6.437 -0.589 3.012 1.00 0.00 O ATOM 308 CB ALA A 21 -4.558 2.237 2.528 1.00 0.00 C ATOM 0 HA ALA A 21 -6.367 1.508 1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.952 1.452 2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.538 3.123 1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.155 2.485 3.510 1.00 0.00 H new ATOM 314 N MET A 22 -5.805 0.636 4.805 1.00 0.00 N ATOM 315 CA MET A 22 -5.858 -0.484 5.729 1.00 0.00 C ATOM 316 C MET A 22 -7.166 -1.262 5.573 1.00 0.00 C ATOM 317 O MET A 22 -7.163 -2.492 5.555 1.00 0.00 O ATOM 318 CB MET A 22 -5.738 0.031 7.165 1.00 0.00 C ATOM 319 CG MET A 22 -4.301 0.454 7.477 1.00 0.00 C ATOM 320 SD MET A 22 -3.864 -0.046 9.134 1.00 0.00 S ATOM 321 CE MET A 22 -3.767 -1.814 8.908 1.00 0.00 C ATOM 0 H MET A 22 -5.527 1.523 5.226 1.00 0.00 H new ATOM 0 HA MET A 22 -5.029 -1.155 5.504 1.00 0.00 H new ATOM 0 HB2 MET A 22 -6.410 0.877 7.309 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.051 -0.747 7.862 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.616 0.002 6.759 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.201 1.535 7.376 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.416 -2.280 9.829 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.754 -2.204 8.658 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.072 -2.040 8.099 1.00 0.00 H new ATOM 331 N ASP A 23 -8.253 -0.512 5.464 1.00 0.00 N ATOM 332 CA ASP A 23 -9.566 -1.116 5.311 1.00 0.00 C ATOM 333 C ASP A 23 -9.548 -2.069 4.114 1.00 0.00 C ATOM 334 O ASP A 23 -9.952 -3.225 4.229 1.00 0.00 O ATOM 335 CB ASP A 23 -10.635 -0.052 5.051 1.00 0.00 C ATOM 336 CG ASP A 23 -11.850 -0.117 5.978 1.00 0.00 C ATOM 337 OD1 ASP A 23 -12.603 -1.108 5.858 1.00 0.00 O ATOM 338 OD2 ASP A 23 -11.999 0.825 6.786 1.00 0.00 O ATOM 0 H ASP A 23 -8.251 0.508 5.479 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.802 -1.647 6.233 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.177 0.933 5.146 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.977 -0.147 4.021 1.00 0.00 H new ATOM 343 N ASP A 24 -9.074 -1.548 2.991 1.00 0.00 N ATOM 344 CA ASP A 24 -8.997 -2.338 1.774 1.00 0.00 C ATOM 345 C ASP A 24 -8.304 -3.668 2.077 1.00 0.00 C ATOM 346 O ASP A 24 -8.824 -4.733 1.747 1.00 0.00 O ATOM 347 CB ASP A 24 -8.184 -1.615 0.698 1.00 0.00 C ATOM 348 CG ASP A 24 -8.869 -1.505 -0.665 1.00 0.00 C ATOM 349 OD1 ASP A 24 -9.602 -2.458 -1.011 1.00 0.00 O ATOM 350 OD2 ASP A 24 -8.645 -0.472 -1.332 1.00 0.00 O ATOM 0 H ASP A 24 -8.740 -0.589 2.899 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.012 -2.498 1.412 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.951 -0.611 1.053 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.235 -2.136 0.570 1.00 0.00 H new ATOM 355 N PHE A 25 -7.140 -3.563 2.701 1.00 0.00 N ATOM 356 CA PHE A 25 -6.369 -4.744 3.052 1.00 0.00 C ATOM 357 C PHE A 25 -7.150 -5.642 4.014 1.00 0.00 C ATOM 358 O PHE A 25 -7.105 -6.866 3.902 1.00 0.00 O ATOM 359 CB PHE A 25 -5.096 -4.257 3.747 1.00 0.00 C ATOM 360 CG PHE A 25 -4.083 -3.606 2.804 1.00 0.00 C ATOM 361 CD1 PHE A 25 -3.744 -4.222 1.640 1.00 0.00 C ATOM 362 CD2 PHE A 25 -3.520 -2.412 3.130 1.00 0.00 C ATOM 363 CE1 PHE A 25 -2.803 -3.618 0.765 1.00 0.00 C ATOM 364 CE2 PHE A 25 -2.579 -1.807 2.255 1.00 0.00 C ATOM 365 CZ PHE A 25 -2.240 -2.423 1.091 1.00 0.00 C ATOM 0 H PHE A 25 -6.712 -2.678 2.973 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.147 -5.323 2.156 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.369 -3.540 4.522 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.621 -5.101 4.247 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.191 -5.171 1.381 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.789 -1.923 4.055 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.534 -4.107 -0.160 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.133 -0.858 2.514 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.524 -1.964 0.425 1.00 0.00 H new ATOM 375 N LYS A 26 -7.848 -4.998 4.938 1.00 0.00 N ATOM 376 CA LYS A 26 -8.638 -5.723 5.919 1.00 0.00 C ATOM 377 C LYS A 26 -9.673 -6.587 5.197 1.00 0.00 C ATOM 378 O LYS A 26 -9.895 -7.739 5.569 1.00 0.00 O ATOM 379 CB LYS A 26 -9.246 -4.757 6.937 1.00 0.00 C ATOM 380 CG LYS A 26 -8.277 -4.494 8.092 1.00 0.00 C ATOM 381 CD LYS A 26 -7.920 -5.795 8.814 1.00 0.00 C ATOM 382 CE LYS A 26 -7.666 -5.543 10.302 1.00 0.00 C ATOM 383 NZ LYS A 26 -8.321 -6.586 11.123 1.00 0.00 N ATOM 0 H LYS A 26 -7.883 -3.983 5.028 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.004 -6.398 6.494 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.496 -3.816 6.446 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.176 -5.171 7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.370 -4.024 7.711 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.726 -3.794 8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.730 -6.515 8.696 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.033 -6.236 8.359 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.594 -5.537 10.498 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.046 -4.560 10.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.139 -6.400 12.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.346 -6.572 10.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.939 -7.519 10.868 1.00 0.00 H new ATOM 397 N THR A 27 -10.280 -5.999 4.176 1.00 0.00 N ATOM 398 CA THR A 27 -11.286 -6.700 3.398 1.00 0.00 C ATOM 399 C THR A 27 -10.623 -7.670 2.418 1.00 0.00 C ATOM 400 O THR A 27 -11.161 -8.740 2.138 1.00 0.00 O ATOM 401 CB THR A 27 -12.169 -5.654 2.714 1.00 0.00 C ATOM 402 OG1 THR A 27 -13.380 -5.678 3.463 1.00 0.00 O ATOM 403 CG2 THR A 27 -12.593 -6.077 1.306 1.00 0.00 C ATOM 0 H THR A 27 -10.094 -5.044 3.870 1.00 0.00 H new ATOM 0 HA THR A 27 -11.921 -7.315 4.036 1.00 0.00 H new ATOM 0 HB THR A 27 -11.635 -4.705 2.663 1.00 0.00 H new ATOM 0 HG1 THR A 27 -14.010 -5.027 3.088 1.00 0.00 H new ATOM 0 HG21 THR A 27 -13.218 -5.300 0.865 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.707 -6.224 0.688 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.157 -7.008 1.360 1.00 0.00 H new ATOM 411 N MET A 28 -9.463 -7.261 1.925 1.00 0.00 N ATOM 412 CA MET A 28 -8.720 -8.081 0.982 1.00 0.00 C ATOM 413 C MET A 28 -8.250 -9.381 1.638 1.00 0.00 C ATOM 414 O MET A 28 -8.442 -10.463 1.087 1.00 0.00 O ATOM 415 CB MET A 28 -7.509 -7.300 0.471 1.00 0.00 C ATOM 416 CG MET A 28 -7.946 -6.103 -0.376 1.00 0.00 C ATOM 417 SD MET A 28 -7.715 -6.464 -2.109 1.00 0.00 S ATOM 418 CE MET A 28 -5.934 -6.570 -2.169 1.00 0.00 C ATOM 0 H MET A 28 -9.019 -6.373 2.160 1.00 0.00 H new ATOM 0 HA MET A 28 -9.378 -8.333 0.150 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.912 -6.954 1.315 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.872 -7.956 -0.122 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.993 -5.872 -0.181 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.368 -5.221 -0.100 1.00 0.00 H new ATOM 0 HE1 MET A 28 -5.563 -5.992 -3.016 1.00 0.00 H new ATOM 0 HE2 MET A 28 -5.514 -6.170 -1.246 1.00 0.00 H new ATOM 0 HE3 MET A 28 -5.635 -7.612 -2.282 1.00 0.00 H new ATOM 428 N PHE A 29 -7.643 -9.231 2.806 1.00 0.00 N ATOM 429 CA PHE A 29 -7.144 -10.380 3.543 1.00 0.00 C ATOM 430 C PHE A 29 -7.566 -10.314 5.012 1.00 0.00 C ATOM 431 O PHE A 29 -6.967 -9.586 5.802 1.00 0.00 O ATOM 432 CB PHE A 29 -5.617 -10.334 3.461 1.00 0.00 C ATOM 433 CG PHE A 29 -5.072 -10.261 2.033 1.00 0.00 C ATOM 434 CD1 PHE A 29 -5.050 -9.071 1.374 1.00 0.00 C ATOM 435 CD2 PHE A 29 -4.611 -11.385 1.422 1.00 0.00 C ATOM 436 CE1 PHE A 29 -4.545 -9.003 0.049 1.00 0.00 C ATOM 437 CE2 PHE A 29 -4.105 -11.317 0.097 1.00 0.00 C ATOM 438 CZ PHE A 29 -4.083 -10.127 -0.562 1.00 0.00 C ATOM 0 H PHE A 29 -7.485 -8.331 3.260 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.547 -11.299 3.118 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.259 -9.469 4.020 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.210 -11.220 3.949 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.417 -8.178 1.859 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.630 -12.330 1.945 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.528 -8.058 -0.474 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.738 -12.210 -0.387 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.699 -10.075 -1.570 1.00 0.00 H new ATOM 448 N PRO A 30 -8.621 -11.106 5.343 1.00 0.00 N ATOM 449 CA PRO A 30 -9.130 -11.145 6.703 1.00 0.00 C ATOM 450 C PRO A 30 -8.199 -11.946 7.615 1.00 0.00 C ATOM 451 O PRO A 30 -8.024 -11.606 8.784 1.00 0.00 O ATOM 452 CB PRO A 30 -10.517 -11.755 6.587 1.00 0.00 C ATOM 453 CG PRO A 30 -10.551 -12.460 5.241 1.00 0.00 C ATOM 454 CD PRO A 30 -9.355 -11.982 4.434 1.00 0.00 C ATOM 0 HA PRO A 30 -9.181 -10.157 7.161 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.704 -12.456 7.400 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.288 -10.986 6.645 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.513 -13.541 5.375 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.480 -12.236 4.716 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.738 -12.819 4.106 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.670 -11.448 3.538 1.00 0.00 H new ATOM 462 N ASN A 31 -7.625 -12.996 7.045 1.00 0.00 N ATOM 463 CA ASN A 31 -6.715 -13.849 7.791 1.00 0.00 C ATOM 464 C ASN A 31 -5.516 -13.022 8.259 1.00 0.00 C ATOM 465 O ASN A 31 -4.883 -13.352 9.261 1.00 0.00 O ATOM 466 CB ASN A 31 -6.191 -14.991 6.919 1.00 0.00 C ATOM 467 CG ASN A 31 -7.343 -15.744 6.251 1.00 0.00 C ATOM 468 OD1 ASN A 31 -8.503 -15.380 6.360 1.00 0.00 O ATOM 469 ND2 ASN A 31 -6.961 -16.811 5.555 1.00 0.00 N ATOM 0 H ASN A 31 -7.773 -13.275 6.075 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.260 -14.264 8.639 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.521 -14.593 6.157 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.606 -15.680 7.529 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.656 -17.380 5.072 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.973 -17.060 5.505 1.00 0.00 H new ATOM 476 N MET A 32 -5.239 -11.964 7.511 1.00 0.00 N ATOM 477 CA MET A 32 -4.127 -11.088 7.836 1.00 0.00 C ATOM 478 C MET A 32 -4.360 -10.378 9.171 1.00 0.00 C ATOM 479 O MET A 32 -5.468 -10.402 9.706 1.00 0.00 O ATOM 480 CB MET A 32 -3.955 -10.048 6.727 1.00 0.00 C ATOM 481 CG MET A 32 -2.713 -10.344 5.885 1.00 0.00 C ATOM 482 SD MET A 32 -2.842 -11.969 5.158 1.00 0.00 S ATOM 483 CE MET A 32 -1.279 -12.051 4.301 1.00 0.00 C ATOM 0 H MET A 32 -5.766 -11.694 6.681 1.00 0.00 H new ATOM 0 HA MET A 32 -3.225 -11.694 7.921 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.839 -10.043 6.089 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.873 -9.054 7.166 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.607 -9.593 5.102 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.819 -10.284 6.506 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.971 -13.092 4.205 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.384 -11.610 3.310 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.526 -11.501 4.865 1.00 0.00 H new ATOM 493 N ASP A 33 -3.299 -9.762 9.671 1.00 0.00 N ATOM 494 CA ASP A 33 -3.374 -9.046 10.933 1.00 0.00 C ATOM 495 C ASP A 33 -3.056 -7.568 10.696 1.00 0.00 C ATOM 496 O ASP A 33 -2.114 -7.240 9.976 1.00 0.00 O ATOM 497 CB ASP A 33 -2.359 -9.593 11.938 1.00 0.00 C ATOM 498 CG ASP A 33 -2.953 -10.054 13.271 1.00 0.00 C ATOM 499 OD1 ASP A 33 -3.104 -9.184 14.155 1.00 0.00 O ATOM 500 OD2 ASP A 33 -3.241 -11.266 13.375 1.00 0.00 O ATOM 0 H ASP A 33 -2.382 -9.744 9.225 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.380 -9.172 11.332 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.834 -10.432 11.482 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.615 -8.822 12.136 1.00 0.00 H new ATOM 505 N TYR A 34 -3.858 -6.716 11.316 1.00 0.00 N ATOM 506 CA TYR A 34 -3.673 -5.281 11.182 1.00 0.00 C ATOM 507 C TYR A 34 -2.198 -4.902 11.326 1.00 0.00 C ATOM 508 O TYR A 34 -1.747 -3.917 10.745 1.00 0.00 O ATOM 509 CB TYR A 34 -4.465 -4.645 12.327 1.00 0.00 C ATOM 510 CG TYR A 34 -4.793 -3.167 12.111 1.00 0.00 C ATOM 511 CD1 TYR A 34 -5.763 -2.801 11.200 1.00 0.00 C ATOM 512 CD2 TYR A 34 -4.118 -2.198 12.826 1.00 0.00 C ATOM 513 CE1 TYR A 34 -6.072 -1.410 10.996 1.00 0.00 C ATOM 514 CE2 TYR A 34 -4.427 -0.806 12.622 1.00 0.00 C ATOM 515 CZ TYR A 34 -5.389 -0.481 11.717 1.00 0.00 C ATOM 516 OH TYR A 34 -5.680 0.834 11.525 1.00 0.00 O ATOM 0 H TYR A 34 -4.638 -6.992 11.913 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.008 -4.941 10.202 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.395 -5.197 12.462 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.896 -4.749 13.251 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.291 -3.559 10.640 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.358 -2.484 13.538 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.829 -1.111 10.286 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.907 -0.038 13.175 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.249 1.148 10.703 1.00 0.00 H new ATOM 526 N ASP A 35 -1.487 -5.706 12.104 1.00 0.00 N ATOM 527 CA ASP A 35 -0.072 -5.467 12.331 1.00 0.00 C ATOM 528 C ASP A 35 0.722 -5.934 11.110 1.00 0.00 C ATOM 529 O ASP A 35 1.668 -5.270 10.689 1.00 0.00 O ATOM 530 CB ASP A 35 0.430 -6.248 13.548 1.00 0.00 C ATOM 531 CG ASP A 35 1.951 -6.303 13.698 1.00 0.00 C ATOM 532 OD1 ASP A 35 2.548 -7.224 13.101 1.00 0.00 O ATOM 533 OD2 ASP A 35 2.483 -5.422 14.408 1.00 0.00 O ATOM 0 H ASP A 35 -1.864 -6.523 12.584 1.00 0.00 H new ATOM 0 HA ASP A 35 0.066 -4.400 12.505 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.007 -5.801 14.448 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.049 -7.267 13.489 1.00 0.00 H new ATOM 538 N ILE A 36 0.309 -7.074 10.575 1.00 0.00 N ATOM 539 CA ILE A 36 0.970 -7.637 9.410 1.00 0.00 C ATOM 540 C ILE A 36 0.746 -6.718 8.207 1.00 0.00 C ATOM 541 O ILE A 36 1.699 -6.317 7.542 1.00 0.00 O ATOM 542 CB ILE A 36 0.510 -9.078 9.177 1.00 0.00 C ATOM 543 CG1 ILE A 36 0.761 -9.940 10.416 1.00 0.00 C ATOM 544 CG2 ILE A 36 1.164 -9.667 7.926 1.00 0.00 C ATOM 545 CD1 ILE A 36 2.097 -9.584 11.070 1.00 0.00 C ATOM 0 H ILE A 36 -0.475 -7.623 10.927 1.00 0.00 H new ATOM 0 HA ILE A 36 2.046 -7.692 9.573 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.566 -9.070 9.003 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.048 -9.798 11.132 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.758 -10.994 10.137 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.820 -10.691 7.784 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.891 -9.069 7.057 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.247 -9.661 8.045 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.251 -10.211 11.948 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.906 -9.751 10.359 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.088 -8.536 11.370 1.00 0.00 H new ATOM 557 N ILE A 37 -0.521 -6.411 7.965 1.00 0.00 N ATOM 558 CA ILE A 37 -0.882 -5.547 6.855 1.00 0.00 C ATOM 559 C ILE A 37 0.050 -4.334 6.833 1.00 0.00 C ATOM 560 O ILE A 37 0.753 -4.104 5.850 1.00 0.00 O ATOM 561 CB ILE A 37 -2.366 -5.181 6.922 1.00 0.00 C ATOM 562 CG1 ILE A 37 -3.243 -6.369 6.518 1.00 0.00 C ATOM 563 CG2 ILE A 37 -2.663 -3.938 6.080 1.00 0.00 C ATOM 564 CD1 ILE A 37 -4.475 -6.472 7.419 1.00 0.00 C ATOM 0 H ILE A 37 -1.309 -6.746 8.519 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.748 -6.069 5.907 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.611 -4.936 7.956 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.556 -6.258 5.480 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.664 -7.291 6.580 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.725 -3.700 6.145 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.079 -3.097 6.454 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.397 -4.131 5.041 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.081 -7.324 7.111 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.159 -6.607 8.453 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.064 -5.559 7.336 1.00 0.00 H new ATOM 576 N GLU A 38 0.026 -3.590 7.930 1.00 0.00 N ATOM 577 CA GLU A 38 0.860 -2.407 8.049 1.00 0.00 C ATOM 578 C GLU A 38 2.335 -2.777 7.874 1.00 0.00 C ATOM 579 O GLU A 38 3.062 -2.111 7.139 1.00 0.00 O ATOM 580 CB GLU A 38 0.626 -1.704 9.388 1.00 0.00 C ATOM 581 CG GLU A 38 -0.758 -1.054 9.431 1.00 0.00 C ATOM 582 CD GLU A 38 -0.700 0.316 10.110 1.00 0.00 C ATOM 583 OE1 GLU A 38 0.195 1.101 9.728 1.00 0.00 O ATOM 584 OE2 GLU A 38 -1.551 0.547 10.996 1.00 0.00 O ATOM 0 H GLU A 38 -0.558 -3.784 8.744 1.00 0.00 H new ATOM 0 HA GLU A 38 0.584 -1.711 7.257 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.719 -2.423 10.202 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.393 -0.945 9.544 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.144 -0.945 8.418 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.451 -1.701 9.969 1.00 0.00 H new ATOM 591 N CYS A 39 2.731 -3.836 8.563 1.00 0.00 N ATOM 592 CA CYS A 39 4.106 -4.303 8.494 1.00 0.00 C ATOM 593 C CYS A 39 4.554 -4.259 7.031 1.00 0.00 C ATOM 594 O CYS A 39 5.614 -3.718 6.719 1.00 0.00 O ATOM 595 CB CYS A 39 4.260 -5.701 9.096 1.00 0.00 C ATOM 596 SG CYS A 39 5.145 -5.598 10.695 1.00 0.00 S ATOM 0 H CYS A 39 2.124 -4.385 9.172 1.00 0.00 H new ATOM 0 HA CYS A 39 4.745 -3.651 9.089 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.279 -6.153 9.242 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.808 -6.344 8.408 1.00 0.00 H new ATOM 0 HG CYS A 39 5.269 -6.790 11.200 1.00 0.00 H new ATOM 602 N VAL A 40 3.725 -4.836 6.174 1.00 0.00 N ATOM 603 CA VAL A 40 4.023 -4.869 4.752 1.00 0.00 C ATOM 604 C VAL A 40 4.101 -3.438 4.218 1.00 0.00 C ATOM 605 O VAL A 40 5.058 -3.077 3.535 1.00 0.00 O ATOM 606 CB VAL A 40 2.987 -5.726 4.021 1.00 0.00 C ATOM 607 CG1 VAL A 40 3.423 -6.002 2.580 1.00 0.00 C ATOM 608 CG2 VAL A 40 2.724 -7.031 4.774 1.00 0.00 C ATOM 0 H VAL A 40 2.847 -5.284 6.437 1.00 0.00 H new ATOM 0 HA VAL A 40 4.993 -5.334 4.575 1.00 0.00 H new ATOM 0 HB VAL A 40 2.053 -5.166 3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.670 -6.613 2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.535 -5.058 2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.375 -6.532 2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.984 -7.621 4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.652 -7.598 4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.349 -6.806 5.772 1.00 0.00 H new ATOM 618 N LEU A 41 3.080 -2.661 4.548 1.00 0.00 N ATOM 619 CA LEU A 41 3.020 -1.277 4.110 1.00 0.00 C ATOM 620 C LEU A 41 4.379 -0.613 4.344 1.00 0.00 C ATOM 621 O LEU A 41 4.948 -0.018 3.430 1.00 0.00 O ATOM 622 CB LEU A 41 1.856 -0.550 4.787 1.00 0.00 C ATOM 623 CG LEU A 41 0.461 -0.867 4.245 1.00 0.00 C ATOM 624 CD1 LEU A 41 -0.619 -0.152 5.059 1.00 0.00 C ATOM 625 CD2 LEU A 41 0.365 -0.539 2.753 1.00 0.00 C ATOM 0 H LEU A 41 2.287 -2.964 5.114 1.00 0.00 H new ATOM 0 HA LEU A 41 2.819 -1.225 3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.874 -0.789 5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.023 0.523 4.698 1.00 0.00 H new ATOM 0 HG LEU A 41 0.288 -1.938 4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.601 -0.394 4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.566 -0.477 6.098 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.461 0.925 5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.637 -0.774 2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.567 0.521 2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.096 -1.131 2.203 1.00 0.00 H new ATOM 637 N ARG A 42 4.859 -0.738 5.573 1.00 0.00 N ATOM 638 CA ARG A 42 6.140 -0.158 5.938 1.00 0.00 C ATOM 639 C ARG A 42 7.283 -0.959 5.312 1.00 0.00 C ATOM 640 O ARG A 42 8.233 -0.383 4.784 1.00 0.00 O ATOM 641 CB ARG A 42 6.318 -0.129 7.457 1.00 0.00 C ATOM 642 CG ARG A 42 5.050 0.377 8.149 1.00 0.00 C ATOM 643 CD ARG A 42 5.395 1.321 9.302 1.00 0.00 C ATOM 644 NE ARG A 42 4.160 1.720 10.015 1.00 0.00 N ATOM 645 CZ ARG A 42 3.285 2.623 9.553 1.00 0.00 C ATOM 646 NH1 ARG A 42 3.502 3.226 8.376 1.00 0.00 N ATOM 647 NH2 ARG A 42 2.192 2.923 10.268 1.00 0.00 N ATOM 0 H ARG A 42 4.384 -1.232 6.328 1.00 0.00 H new ATOM 0 HA ARG A 42 6.161 0.865 5.562 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.559 -1.129 7.818 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.159 0.514 7.716 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.419 0.895 7.427 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.475 -0.469 8.526 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.081 0.830 9.992 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.906 2.205 8.919 1.00 0.00 H new ATOM 0 HE ARG A 42 3.963 1.280 10.914 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.334 2.997 7.832 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.835 3.913 8.025 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.027 2.464 11.164 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.526 3.611 9.917 1.00 0.00 H new ATOM 661 N ALA A 43 7.154 -2.275 5.393 1.00 0.00 N ATOM 662 CA ALA A 43 8.165 -3.161 4.841 1.00 0.00 C ATOM 663 C ALA A 43 8.359 -2.845 3.356 1.00 0.00 C ATOM 664 O ALA A 43 9.433 -3.079 2.804 1.00 0.00 O ATOM 665 CB ALA A 43 7.753 -4.616 5.077 1.00 0.00 C ATOM 0 H ALA A 43 6.365 -2.749 5.832 1.00 0.00 H new ATOM 0 HA ALA A 43 9.122 -3.007 5.339 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.511 -5.281 4.663 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.657 -4.798 6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.797 -4.807 4.589 1.00 0.00 H new ATOM 671 N ASN A 44 7.304 -2.317 2.754 1.00 0.00 N ATOM 672 CA ASN A 44 7.345 -1.965 1.344 1.00 0.00 C ATOM 673 C ASN A 44 7.597 -0.463 1.205 1.00 0.00 C ATOM 674 O ASN A 44 8.027 0.003 0.150 1.00 0.00 O ATOM 675 CB ASN A 44 6.016 -2.287 0.658 1.00 0.00 C ATOM 676 CG ASN A 44 5.879 -3.790 0.406 1.00 0.00 C ATOM 677 OD1 ASN A 44 5.811 -4.254 -0.721 1.00 0.00 O ATOM 678 ND2 ASN A 44 5.843 -4.523 1.515 1.00 0.00 N ATOM 0 H ASN A 44 6.415 -2.124 3.216 1.00 0.00 H new ATOM 0 HA ASN A 44 8.142 -2.542 0.875 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.189 -1.942 1.279 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.951 -1.749 -0.288 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.754 -5.537 1.453 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.905 -4.071 2.427 1.00 0.00 H new ATOM 685 N SER A 45 7.320 0.254 2.284 1.00 0.00 N ATOM 686 CA SER A 45 7.512 1.694 2.295 1.00 0.00 C ATOM 687 C SER A 45 6.368 2.380 1.546 1.00 0.00 C ATOM 688 O SER A 45 6.523 2.766 0.389 1.00 0.00 O ATOM 689 CB SER A 45 8.857 2.076 1.674 1.00 0.00 C ATOM 690 OG SER A 45 9.650 2.862 2.559 1.00 0.00 O ATOM 0 H SER A 45 6.964 -0.136 3.157 1.00 0.00 H new ATOM 0 HA SER A 45 7.513 2.030 3.332 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.402 1.171 1.406 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.686 2.631 0.751 1.00 0.00 H new ATOM 0 HG SER A 45 10.501 3.084 2.126 1.00 0.00 H new ATOM 696 N GLY A 46 5.245 2.511 2.238 1.00 0.00 N ATOM 697 CA GLY A 46 4.076 3.144 1.652 1.00 0.00 C ATOM 698 C GLY A 46 3.936 2.777 0.174 1.00 0.00 C ATOM 699 O GLY A 46 4.314 3.554 -0.701 1.00 0.00 O ATOM 0 H GLY A 46 5.120 2.190 3.198 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.182 2.835 2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.154 4.226 1.756 1.00 0.00 H new ATOM 703 N ALA A 47 3.391 1.592 -0.060 1.00 0.00 N ATOM 704 CA ALA A 47 3.197 1.112 -1.418 1.00 0.00 C ATOM 705 C ALA A 47 2.129 0.017 -1.419 1.00 0.00 C ATOM 706 O ALA A 47 2.425 -1.145 -1.147 1.00 0.00 O ATOM 707 CB ALA A 47 4.532 0.624 -1.983 1.00 0.00 C ATOM 0 H ALA A 47 3.078 0.950 0.668 1.00 0.00 H new ATOM 0 HA ALA A 47 2.845 1.917 -2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.386 0.264 -3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.247 1.446 -1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.915 -0.187 -1.363 1.00 0.00 H new ATOM 713 N VAL A 48 0.907 0.427 -1.728 1.00 0.00 N ATOM 714 CA VAL A 48 -0.207 -0.505 -1.769 1.00 0.00 C ATOM 715 C VAL A 48 0.024 -1.522 -2.888 1.00 0.00 C ATOM 716 O VAL A 48 0.132 -2.720 -2.630 1.00 0.00 O ATOM 717 CB VAL A 48 -1.524 0.260 -1.919 1.00 0.00 C ATOM 718 CG1 VAL A 48 -2.711 -0.702 -1.990 1.00 0.00 C ATOM 719 CG2 VAL A 48 -1.704 1.270 -0.784 1.00 0.00 C ATOM 0 H VAL A 48 0.664 1.392 -1.952 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.274 -1.061 -0.834 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.485 0.814 -2.857 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.635 -0.133 -2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.592 -1.364 -2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.754 -1.295 -1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.648 1.800 -0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.712 0.746 0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.881 1.985 -0.799 1.00 0.00 H new ATOM 729 N ASP A 49 0.094 -1.007 -4.107 1.00 0.00 N ATOM 730 CA ASP A 49 0.311 -1.856 -5.266 1.00 0.00 C ATOM 731 C ASP A 49 1.340 -2.933 -4.919 1.00 0.00 C ATOM 732 O ASP A 49 1.298 -4.035 -5.464 1.00 0.00 O ATOM 733 CB ASP A 49 0.853 -1.047 -6.446 1.00 0.00 C ATOM 734 CG ASP A 49 -0.212 -0.490 -7.393 1.00 0.00 C ATOM 735 OD1 ASP A 49 -1.372 -0.378 -6.939 1.00 0.00 O ATOM 736 OD2 ASP A 49 0.157 -0.189 -8.548 1.00 0.00 O ATOM 0 H ASP A 49 0.004 -0.013 -4.317 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.645 -2.301 -5.542 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.442 -0.216 -6.057 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.532 -1.679 -7.019 1.00 0.00 H new ATOM 741 N ALA A 50 2.239 -2.578 -4.014 1.00 0.00 N ATOM 742 CA ALA A 50 3.277 -3.501 -3.587 1.00 0.00 C ATOM 743 C ALA A 50 2.763 -4.332 -2.410 1.00 0.00 C ATOM 744 O ALA A 50 2.788 -5.560 -2.455 1.00 0.00 O ATOM 745 CB ALA A 50 4.545 -2.718 -3.238 1.00 0.00 C ATOM 0 H ALA A 50 2.271 -1.663 -3.564 1.00 0.00 H new ATOM 0 HA ALA A 50 3.531 -4.191 -4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.324 -3.410 -2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.886 -2.169 -4.115 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.329 -2.017 -2.432 1.00 0.00 H new ATOM 751 N THR A 51 2.308 -3.627 -1.384 1.00 0.00 N ATOM 752 CA THR A 51 1.789 -4.284 -0.197 1.00 0.00 C ATOM 753 C THR A 51 0.802 -5.386 -0.586 1.00 0.00 C ATOM 754 O THR A 51 0.638 -6.364 0.142 1.00 0.00 O ATOM 755 CB THR A 51 1.177 -3.212 0.708 1.00 0.00 C ATOM 756 OG1 THR A 51 2.250 -2.305 0.945 1.00 0.00 O ATOM 757 CG2 THR A 51 0.827 -3.748 2.097 1.00 0.00 C ATOM 0 H THR A 51 2.288 -2.608 -1.351 1.00 0.00 H new ATOM 0 HA THR A 51 2.583 -4.783 0.358 1.00 0.00 H new ATOM 0 HB THR A 51 0.279 -2.810 0.239 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.211 -1.574 0.293 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.397 -2.947 2.698 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.105 -4.559 2.003 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.730 -4.120 2.581 1.00 0.00 H new ATOM 765 N ILE A 52 0.169 -5.191 -1.734 1.00 0.00 N ATOM 766 CA ILE A 52 -0.798 -6.157 -2.229 1.00 0.00 C ATOM 767 C ILE A 52 -0.065 -7.424 -2.673 1.00 0.00 C ATOM 768 O ILE A 52 -0.235 -8.486 -2.076 1.00 0.00 O ATOM 769 CB ILE A 52 -1.666 -5.533 -3.323 1.00 0.00 C ATOM 770 CG1 ILE A 52 -2.617 -4.486 -2.738 1.00 0.00 C ATOM 771 CG2 ILE A 52 -2.414 -6.610 -4.111 1.00 0.00 C ATOM 772 CD1 ILE A 52 -3.305 -3.689 -3.848 1.00 0.00 C ATOM 0 H ILE A 52 0.307 -4.379 -2.335 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.486 -6.448 -1.436 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.011 -5.017 -4.025 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.368 -4.977 -2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.063 -3.808 -2.089 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.024 -6.139 -4.882 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.696 -7.284 -4.577 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.056 -7.175 -3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.975 -2.952 -3.405 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.553 -3.180 -4.450 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.878 -4.367 -4.481 1.00 0.00 H new ATOM 784 N ASP A 53 0.735 -7.271 -3.718 1.00 0.00 N ATOM 785 CA ASP A 53 1.495 -8.389 -4.250 1.00 0.00 C ATOM 786 C ASP A 53 2.052 -9.218 -3.091 1.00 0.00 C ATOM 787 O ASP A 53 2.112 -10.444 -3.172 1.00 0.00 O ATOM 788 CB ASP A 53 2.674 -7.903 -5.094 1.00 0.00 C ATOM 789 CG ASP A 53 3.101 -8.851 -6.217 1.00 0.00 C ATOM 790 OD1 ASP A 53 2.321 -8.969 -7.186 1.00 0.00 O ATOM 791 OD2 ASP A 53 4.197 -9.435 -6.080 1.00 0.00 O ATOM 0 H ASP A 53 0.873 -6.389 -4.211 1.00 0.00 H new ATOM 0 HA ASP A 53 0.828 -8.984 -4.874 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.415 -6.939 -5.532 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.527 -7.735 -4.437 1.00 0.00 H new ATOM 796 N GLN A 54 2.447 -8.516 -2.039 1.00 0.00 N ATOM 797 CA GLN A 54 2.997 -9.171 -0.865 1.00 0.00 C ATOM 798 C GLN A 54 1.942 -10.065 -0.212 1.00 0.00 C ATOM 799 O GLN A 54 2.035 -11.290 -0.275 1.00 0.00 O ATOM 800 CB GLN A 54 3.540 -8.145 0.132 1.00 0.00 C ATOM 801 CG GLN A 54 5.035 -8.356 0.376 1.00 0.00 C ATOM 802 CD GLN A 54 5.293 -9.690 1.080 1.00 0.00 C ATOM 803 OE1 GLN A 54 4.610 -10.677 0.864 1.00 0.00 O ATOM 804 NE2 GLN A 54 6.315 -9.664 1.931 1.00 0.00 N ATOM 0 H GLN A 54 2.397 -7.499 -1.976 1.00 0.00 H new ATOM 0 HA GLN A 54 3.831 -9.798 -1.181 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.368 -7.138 -0.248 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.999 -8.227 1.075 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.569 -8.333 -0.574 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.427 -7.539 0.982 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.846 -8.803 2.065 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.568 -10.505 2.450 1.00 0.00 H new ATOM 813 N LEU A 55 0.961 -9.418 0.401 1.00 0.00 N ATOM 814 CA LEU A 55 -0.111 -10.139 1.065 1.00 0.00 C ATOM 815 C LEU A 55 -0.620 -11.250 0.143 1.00 0.00 C ATOM 816 O LEU A 55 -0.973 -12.333 0.607 1.00 0.00 O ATOM 817 CB LEU A 55 -1.204 -9.172 1.523 1.00 0.00 C ATOM 818 CG LEU A 55 -0.757 -8.054 2.468 1.00 0.00 C ATOM 819 CD1 LEU A 55 -1.817 -6.954 2.556 1.00 0.00 C ATOM 820 CD2 LEU A 55 -0.394 -8.613 3.845 1.00 0.00 C ATOM 0 H LEU A 55 0.887 -8.402 0.451 1.00 0.00 H new ATOM 0 HA LEU A 55 0.258 -10.619 1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.652 -8.717 0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.987 -9.747 2.017 1.00 0.00 H new ATOM 0 HG LEU A 55 0.145 -7.599 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.474 -6.172 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.983 -6.529 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.749 -7.376 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.080 -7.798 4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.263 -9.109 4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.420 -9.331 3.743 1.00 0.00 H new ATOM 832 N LEU A 56 -0.643 -10.942 -1.145 1.00 0.00 N ATOM 833 CA LEU A 56 -1.103 -11.900 -2.136 1.00 0.00 C ATOM 834 C LEU A 56 -0.367 -13.226 -1.936 1.00 0.00 C ATOM 835 O LEU A 56 -0.982 -14.236 -1.596 1.00 0.00 O ATOM 836 CB LEU A 56 -0.960 -11.323 -3.546 1.00 0.00 C ATOM 837 CG LEU A 56 -2.128 -10.468 -4.042 1.00 0.00 C ATOM 838 CD1 LEU A 56 -1.652 -9.428 -5.058 1.00 0.00 C ATOM 839 CD2 LEU A 56 -3.251 -11.343 -4.601 1.00 0.00 C ATOM 0 H LEU A 56 -0.350 -10.042 -1.526 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.166 -12.102 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.053 -10.719 -3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.819 -12.149 -4.243 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.538 -9.924 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.501 -8.833 -5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.914 -8.775 -4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.201 -9.933 -5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.068 -10.710 -4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.872 -11.933 -5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.615 -12.011 -3.820 1.00 0.00 H new