USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 356 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 Set 1.1: A 51 SER OG : rot 71:sc= 1.51 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -167:sc= 0.622 (180deg=0) USER MOD Single : A 27 MET CE :methyl -177:sc= 0 (180deg=-0.0117) USER MOD Single : A 31 ASN : amide:sc= -1.27 K(o=-1.3,f=-7.6!) USER MOD Single : A 33 HIS : no HD1:sc= -0.458 X(o=-0.46,f=0.0021) USER MOD Single : A 36 SER OG : rot -43:sc= 1.24 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.234 K(o=-0.23,f=-5.6!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 272 N PRO A 21 30.375 28.827 -7.607 1.00 25.00 N ATOM 273 CA PRO A 21 30.301 29.221 -6.193 1.00 25.00 C ATOM 274 C PRO A 21 30.686 30.674 -5.972 1.00 25.00 C ATOM 275 O PRO A 21 30.237 31.293 -5.027 1.00 25.00 O ATOM 276 CB PRO A 21 31.321 28.295 -5.516 1.00 25.00 C ATOM 277 CG PRO A 21 32.195 27.843 -6.595 1.00 25.00 C ATOM 278 CD PRO A 21 31.344 27.736 -7.801 1.00 25.00 C ATOM 0 HA PRO A 21 29.288 29.132 -5.800 1.00 25.00 H new ATOM 0 HB2 PRO A 21 31.884 28.823 -4.747 1.00 25.00 H new ATOM 0 HB3 PRO A 21 30.828 27.454 -5.029 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.011 28.548 -6.756 1.00 25.00 H new ATOM 0 HG3 PRO A 21 32.648 26.882 -6.352 1.00 25.00 H new ATOM 0 HD2 PRO A 21 31.921 27.864 -8.717 1.00 25.00 H new ATOM 0 HD3 PRO A 21 30.853 26.765 -7.866 1.00 25.00 H new ATOM 286 N ALA A 22 31.501 31.227 -6.861 1.00 25.00 N ATOM 287 CA ALA A 22 31.910 32.619 -6.759 1.00 25.00 C ATOM 288 C ALA A 22 30.704 33.557 -6.827 1.00 25.00 C ATOM 289 O ALA A 22 30.645 34.538 -6.088 1.00 25.00 O ATOM 290 CB ALA A 22 32.910 32.947 -7.866 1.00 25.00 C ATOM 0 H ALA A 22 31.892 30.730 -7.662 1.00 25.00 H new ATOM 0 HA ALA A 22 32.389 32.768 -5.791 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.213 33.991 -7.785 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.786 32.306 -7.767 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.446 32.778 -8.838 1.00 25.00 H new ATOM 296 N LEU A 23 29.756 33.237 -7.703 1.00 25.00 N ATOM 297 CA LEU A 23 28.557 34.054 -7.881 1.00 25.00 C ATOM 298 C LEU A 23 27.560 33.798 -6.761 1.00 25.00 C ATOM 299 O LEU A 23 26.922 34.717 -6.273 1.00 25.00 O ATOM 300 CB LEU A 23 27.883 33.743 -9.226 1.00 25.00 C ATOM 301 CG LEU A 23 28.712 33.957 -10.505 1.00 25.00 C ATOM 302 CD1 LEU A 23 27.857 33.598 -11.722 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.228 35.375 -10.648 1.00 25.00 C ATOM 0 H LEU A 23 29.794 32.414 -8.304 1.00 25.00 H new ATOM 0 HA LEU A 23 28.865 35.099 -7.861 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.558 32.703 -9.206 1.00 25.00 H new ATOM 0 HB3 LEU A 23 26.985 34.356 -9.301 1.00 25.00 H new ATOM 0 HG LEU A 23 29.586 33.309 -10.437 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.438 33.747 -12.632 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.549 32.555 -11.655 1.00 25.00 H new ATOM 0 HD13 LEU A 23 26.974 34.236 -11.747 1.00 25.00 H new ATOM 0 HD21 LEU A 23 29.804 35.461 -11.569 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.386 36.067 -10.680 1.00 25.00 H new ATOM 0 HD23 LEU A 23 29.865 35.618 -9.797 1.00 25.00 H new ATOM 315 N LEU A 24 27.429 32.546 -6.347 1.00 25.00 N ATOM 316 CA LEU A 24 26.482 32.209 -5.283 1.00 25.00 C ATOM 317 C LEU A 24 26.912 32.836 -3.967 1.00 25.00 C ATOM 318 O LEU A 24 26.096 33.372 -3.239 1.00 25.00 O ATOM 319 CB LEU A 24 26.361 30.692 -5.131 1.00 25.00 C ATOM 320 CG LEU A 24 25.344 30.185 -4.089 1.00 25.00 C ATOM 321 CD1 LEU A 24 23.980 30.871 -4.198 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.168 28.682 -4.238 1.00 25.00 C ATOM 0 H LEU A 24 27.954 31.756 -6.721 1.00 25.00 H new ATOM 0 HA LEU A 24 25.506 32.610 -5.556 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.094 30.272 -6.101 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.343 30.296 -4.871 1.00 25.00 H new ATOM 0 HG LEU A 24 25.748 30.431 -3.107 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.309 30.470 -3.438 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.099 31.944 -4.048 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.559 30.688 -5.186 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.449 28.325 -3.501 1.00 25.00 H new ATOM 0 HD22 LEU A 24 24.803 28.456 -5.240 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.126 28.186 -4.080 1.00 25.00 H new ATOM 334 N ARG A 25 28.209 32.820 -3.699 1.00 25.00 N ATOM 335 CA ARG A 25 28.776 33.455 -2.513 1.00 25.00 C ATOM 336 C ARG A 25 28.401 34.927 -2.518 1.00 25.00 C ATOM 337 O ARG A 25 28.019 35.481 -1.503 1.00 25.00 O ATOM 338 CB ARG A 25 30.301 33.259 -2.557 1.00 25.00 C ATOM 339 CG ARG A 25 31.140 33.980 -1.499 1.00 25.00 C ATOM 340 CD ARG A 25 31.506 35.415 -1.885 1.00 25.00 C ATOM 341 NE ARG A 25 32.089 35.535 -3.233 1.00 25.00 N ATOM 342 CZ ARG A 25 33.295 36.003 -3.517 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.152 36.369 -2.593 1.00 25.00 N ATOM 344 NH2 ARG A 25 33.642 36.105 -4.768 1.00 25.00 N ATOM 0 H ARG A 25 28.901 32.367 -4.296 1.00 25.00 H new ATOM 0 HA ARG A 25 28.389 33.013 -1.595 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.505 32.191 -2.477 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.652 33.578 -3.538 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.590 33.994 -0.558 1.00 25.00 H new ATOM 0 HG3 ARG A 25 32.055 33.414 -1.325 1.00 25.00 H new ATOM 0 HD2 ARG A 25 30.612 36.036 -1.829 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.214 35.809 -1.156 1.00 25.00 H new ATOM 0 HE ARG A 25 31.512 35.230 -4.017 1.00 25.00 H new ATOM 0 HH11 ARG A 25 33.900 36.299 -1.607 1.00 25.00 H new ATOM 0 HH12 ARG A 25 35.070 36.724 -2.861 1.00 25.00 H new ATOM 0 HH21 ARG A 25 32.991 35.827 -5.502 1.00 25.00 H new ATOM 0 HH22 ARG A 25 34.565 36.462 -5.014 1.00 25.00 H new ATOM 358 N ASP A 26 28.517 35.546 -3.678 1.00 25.00 N ATOM 359 CA ASP A 26 28.229 36.970 -3.827 1.00 25.00 C ATOM 360 C ASP A 26 26.744 37.271 -3.581 1.00 25.00 C ATOM 361 O ASP A 26 26.401 38.162 -2.810 1.00 25.00 O ATOM 362 CB ASP A 26 28.637 37.404 -5.235 1.00 25.00 C ATOM 363 CG ASP A 26 29.257 38.782 -5.263 1.00 25.00 C ATOM 364 OD1 ASP A 26 30.238 38.996 -4.512 1.00 25.00 O ATOM 365 OD2 ASP A 26 28.857 39.607 -6.108 1.00 25.00 O ATOM 0 H ASP A 26 28.810 35.086 -4.540 1.00 25.00 H new ATOM 0 HA ASP A 26 28.797 37.529 -3.083 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.346 36.683 -5.642 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.761 37.391 -5.883 1.00 25.00 H new ATOM 370 N MET A 27 25.874 36.476 -4.193 1.00 25.00 N ATOM 371 CA MET A 27 24.421 36.617 -4.022 1.00 25.00 C ATOM 372 C MET A 27 24.025 36.436 -2.573 1.00 25.00 C ATOM 373 O MET A 27 23.226 37.186 -2.043 1.00 25.00 O ATOM 374 CB MET A 27 23.697 35.553 -4.844 1.00 25.00 C ATOM 375 CG MET A 27 22.191 35.739 -4.893 1.00 25.00 C ATOM 376 SD MET A 27 21.374 34.307 -5.625 1.00 25.00 S ATOM 377 CE MET A 27 21.131 33.260 -4.154 1.00 25.00 C ATOM 0 H MET A 27 26.147 35.718 -4.819 1.00 25.00 H new ATOM 0 HA MET A 27 24.144 37.617 -4.354 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.089 35.564 -5.861 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.919 34.571 -4.427 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.810 35.901 -3.885 1.00 25.00 H new ATOM 0 HG3 MET A 27 21.952 36.631 -5.471 1.00 25.00 H new ATOM 0 HE1 MET A 27 20.684 32.312 -4.452 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.093 33.073 -3.677 1.00 25.00 H new ATOM 0 HE3 MET A 27 20.471 33.768 -3.451 1.00 25.00 H new ATOM 387 N LEU A 28 24.587 35.421 -1.941 1.00 25.00 N ATOM 388 CA LEU A 28 24.276 35.105 -0.560 1.00 25.00 C ATOM 389 C LEU A 28 24.659 36.228 0.378 1.00 25.00 C ATOM 390 O LEU A 28 23.906 36.575 1.270 1.00 25.00 O ATOM 391 CB LEU A 28 25.021 33.856 -0.155 1.00 25.00 C ATOM 392 CG LEU A 28 24.225 32.584 -0.409 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.166 31.431 -0.476 1.00 25.00 C ATOM 394 CD2 LEU A 28 23.226 32.390 0.705 1.00 25.00 C ATOM 0 H LEU A 28 25.269 34.795 -2.369 1.00 25.00 H new ATOM 0 HA LEU A 28 23.199 34.956 -0.489 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.962 33.806 -0.704 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.272 33.916 0.904 1.00 25.00 H new ATOM 0 HG LEU A 28 23.685 32.657 -1.353 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.605 30.514 -0.658 1.00 25.00 H new ATOM 0 HD12 LEU A 28 25.877 31.588 -1.287 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.705 31.346 0.468 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.654 31.480 0.526 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.753 32.307 1.656 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.549 33.243 0.739 1.00 25.00 H new ATOM 406 N LEU A 29 25.830 36.809 0.170 1.00 25.00 N ATOM 407 CA LEU A 29 26.285 37.904 1.029 1.00 25.00 C ATOM 408 C LEU A 29 25.377 39.116 0.871 1.00 25.00 C ATOM 409 O LEU A 29 25.110 39.830 1.834 1.00 25.00 O ATOM 410 CB LEU A 29 27.724 38.294 0.686 1.00 25.00 C ATOM 411 CG LEU A 29 28.800 37.283 1.112 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.103 37.621 0.414 1.00 25.00 C ATOM 413 CD2 LEU A 29 29.008 37.258 2.626 1.00 25.00 C ATOM 0 H LEU A 29 26.478 36.550 -0.573 1.00 25.00 H new ATOM 0 HA LEU A 29 26.247 37.561 2.063 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.795 38.442 -0.391 1.00 25.00 H new ATOM 0 HB3 LEU A 29 27.944 39.253 1.155 1.00 25.00 H new ATOM 0 HG LEU A 29 28.461 36.289 0.821 1.00 25.00 H new ATOM 0 HD11 LEU A 29 30.871 36.907 0.712 1.00 25.00 H new ATOM 0 HD12 LEU A 29 29.961 37.572 -0.666 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.415 38.627 0.693 1.00 25.00 H new ATOM 0 HD21 LEU A 29 29.778 36.528 2.875 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.320 38.245 2.967 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.075 36.983 3.117 1.00 25.00 H new ATOM 425 N ALA A 30 24.890 39.322 -0.343 1.00 25.00 N ATOM 426 CA ALA A 30 23.995 40.436 -0.643 1.00 25.00 C ATOM 427 C ALA A 30 22.538 40.143 -0.245 1.00 25.00 C ATOM 428 O ALA A 30 21.688 41.031 -0.305 1.00 25.00 O ATOM 429 CB ALA A 30 24.072 40.759 -2.142 1.00 25.00 C ATOM 0 H ALA A 30 25.100 38.728 -1.145 1.00 25.00 H new ATOM 0 HA ALA A 30 24.322 41.292 -0.053 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.405 41.590 -2.370 1.00 25.00 H new ATOM 0 HB2 ALA A 30 25.094 41.032 -2.403 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.771 39.884 -2.719 1.00 25.00 H new ATOM 435 N ASN A 31 22.230 38.905 0.123 1.00 25.00 N ATOM 436 CA ASN A 31 20.851 38.525 0.419 1.00 25.00 C ATOM 437 C ASN A 31 20.683 38.095 1.880 1.00 25.00 C ATOM 438 O ASN A 31 20.992 36.956 2.246 1.00 25.00 O ATOM 439 CB ASN A 31 20.409 37.409 -0.523 1.00 25.00 C ATOM 440 CG ASN A 31 18.925 37.211 -0.517 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.274 37.284 0.524 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.379 36.965 -1.669 1.00 25.00 N ATOM 0 H ASN A 31 22.910 38.151 0.224 1.00 25.00 H new ATOM 0 HA ASN A 31 20.218 39.399 0.264 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.738 37.641 -1.536 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.898 36.479 -0.234 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.371 36.823 -1.736 1.00 25.00 H new ATOM 0 HD22 ASN A 31 18.958 36.913 -2.507 1.00 25.00 H new ATOM 449 N PRO A 32 20.164 38.994 2.736 1.00 25.00 N ATOM 450 CA PRO A 32 20.066 38.634 4.154 1.00 25.00 C ATOM 451 C PRO A 32 19.112 37.478 4.463 1.00 25.00 C ATOM 452 O PRO A 32 19.285 36.786 5.463 1.00 25.00 O ATOM 453 CB PRO A 32 19.596 39.939 4.807 1.00 25.00 C ATOM 454 CG PRO A 32 18.867 40.648 3.726 1.00 25.00 C ATOM 455 CD PRO A 32 19.681 40.367 2.503 1.00 25.00 C ATOM 0 HA PRO A 32 21.018 38.257 4.528 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.949 39.745 5.662 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.438 40.527 5.171 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.847 40.278 3.622 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.799 41.718 3.924 1.00 25.00 H new ATOM 0 HD2 PRO A 32 19.082 40.436 1.595 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.505 41.072 2.396 1.00 25.00 H new ATOM 463 N HIS A 33 18.118 37.247 3.614 1.00 25.00 N ATOM 464 CA HIS A 33 17.187 36.142 3.829 1.00 25.00 C ATOM 465 C HIS A 33 17.857 34.823 3.454 1.00 25.00 C ATOM 466 O HIS A 33 17.787 33.842 4.191 1.00 25.00 O ATOM 467 CB HIS A 33 15.925 36.345 2.977 1.00 25.00 C ATOM 468 CG HIS A 33 14.832 35.355 3.257 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.613 35.354 2.627 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.777 34.303 4.126 1.00 25.00 C ATOM 471 CE1 HIS A 33 12.890 34.350 3.115 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.550 33.680 4.039 1.00 25.00 N ATOM 0 H HIS A 33 17.935 37.802 2.778 1.00 25.00 H new ATOM 0 HA HIS A 33 16.904 36.115 4.881 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.542 37.351 3.148 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.197 36.282 1.923 1.00 25.00 H new ATOM 0 HD2 HIS A 33 15.578 34.003 4.785 1.00 25.00 H new ATOM 0 HE1 HIS A 33 11.886 34.113 2.794 1.00 25.00 H new ATOM 0 HE2 HIS A 33 13.224 32.875 4.574 1.00 25.00 H new ATOM 480 N GLU A 34 18.524 34.806 2.315 1.00 25.00 N ATOM 481 CA GLU A 34 19.110 33.570 1.794 1.00 25.00 C ATOM 482 C GLU A 34 20.255 33.157 2.699 1.00 25.00 C ATOM 483 O GLU A 34 20.417 32.000 3.034 1.00 25.00 O ATOM 484 CB GLU A 34 19.594 33.783 0.357 1.00 25.00 C ATOM 485 CG GLU A 34 18.986 32.832 -0.662 1.00 25.00 C ATOM 486 CD GLU A 34 19.705 31.488 -0.730 1.00 25.00 C ATOM 487 OE1 GLU A 34 19.190 30.498 -0.173 1.00 25.00 O ATOM 488 OE2 GLU A 34 20.781 31.417 -1.370 1.00 25.00 O ATOM 0 H GLU A 34 18.677 35.627 1.730 1.00 25.00 H new ATOM 0 HA GLU A 34 18.362 32.777 1.778 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.368 34.807 0.059 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.678 33.676 0.333 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.938 32.664 -0.414 1.00 25.00 H new ATOM 0 HG3 GLU A 34 19.009 33.300 -1.646 1.00 25.00 H new ATOM 495 N LEU A 35 21.014 34.124 3.173 1.00 25.00 N ATOM 496 CA LEU A 35 22.110 33.823 4.076 1.00 25.00 C ATOM 497 C LEU A 35 21.604 33.303 5.425 1.00 25.00 C ATOM 498 O LEU A 35 22.281 32.520 6.086 1.00 25.00 O ATOM 499 CB LEU A 35 23.010 35.037 4.181 1.00 25.00 C ATOM 500 CG LEU A 35 22.807 36.191 5.160 1.00 25.00 C ATOM 501 CD1 LEU A 35 22.959 35.838 6.626 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.846 37.204 4.759 1.00 25.00 C ATOM 0 H LEU A 35 20.896 35.113 2.953 1.00 25.00 H new ATOM 0 HA LEU A 35 22.710 33.006 3.676 1.00 25.00 H new ATOM 0 HB2 LEU A 35 24.012 34.652 4.374 1.00 25.00 H new ATOM 0 HB3 LEU A 35 23.026 35.485 3.188 1.00 25.00 H new ATOM 0 HG LEU A 35 21.778 36.543 5.093 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.795 36.728 7.233 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.228 35.076 6.894 1.00 25.00 H new ATOM 0 HD13 LEU A 35 23.964 35.456 6.806 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.776 38.075 5.411 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.838 36.762 4.848 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.677 37.510 3.727 1.00 25.00 H new ATOM 514 N SER A 36 20.424 33.753 5.835 1.00 25.00 N ATOM 515 CA SER A 36 19.830 33.363 7.119 1.00 25.00 C ATOM 516 C SER A 36 19.236 31.966 7.058 1.00 25.00 C ATOM 517 O SER A 36 19.311 31.209 8.019 1.00 25.00 O ATOM 518 CB SER A 36 18.769 34.366 7.589 1.00 25.00 C ATOM 519 OG SER A 36 17.570 34.285 6.840 1.00 25.00 O ATOM 0 H SER A 36 19.849 34.397 5.292 1.00 25.00 H new ATOM 0 HA SER A 36 20.641 33.363 7.847 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.548 34.188 8.641 1.00 25.00 H new ATOM 0 HB3 SER A 36 19.172 35.376 7.514 1.00 25.00 H new ATOM 0 HG SER A 36 17.784 34.204 5.887 1.00 25.00 H new ATOM 525 N LEU A 37 18.678 31.599 5.916 1.00 25.00 N ATOM 526 CA LEU A 37 18.142 30.263 5.755 1.00 25.00 C ATOM 527 C LEU A 37 19.290 29.337 5.628 1.00 25.00 C ATOM 528 O LEU A 37 19.247 28.228 6.081 1.00 25.00 O ATOM 529 CB LEU A 37 17.222 30.183 4.550 1.00 25.00 C ATOM 530 CG LEU A 37 17.642 30.128 3.075 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.149 28.774 2.651 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.431 30.504 2.226 1.00 25.00 C ATOM 0 H LEU A 37 18.586 32.201 5.098 1.00 25.00 H new ATOM 0 HA LEU A 37 17.536 29.989 6.618 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.610 29.296 4.711 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.561 31.046 4.632 1.00 25.00 H new ATOM 0 HG LEU A 37 18.468 30.825 2.935 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.429 28.804 1.598 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.019 28.507 3.250 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.366 28.030 2.797 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.703 30.473 1.171 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.622 29.798 2.413 1.00 25.00 H new ATOM 0 HD23 LEU A 37 16.102 31.510 2.486 1.00 25.00 H new ATOM 544 N LEU A 38 20.345 29.818 5.015 1.00 25.00 N ATOM 545 CA LEU A 38 21.512 29.006 4.815 1.00 25.00 C ATOM 546 C LEU A 38 22.166 28.589 6.117 1.00 25.00 C ATOM 547 O LEU A 38 22.517 27.438 6.280 1.00 25.00 O ATOM 548 CB LEU A 38 22.483 29.761 3.942 1.00 25.00 C ATOM 549 CG LEU A 38 23.691 28.912 3.521 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.248 27.782 2.619 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.750 29.737 2.837 1.00 25.00 C ATOM 0 H LEU A 38 20.415 30.767 4.648 1.00 25.00 H new ATOM 0 HA LEU A 38 21.205 28.082 4.325 1.00 25.00 H new ATOM 0 HB2 LEU A 38 21.964 30.113 3.050 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.834 30.644 4.476 1.00 25.00 H new ATOM 0 HG LEU A 38 24.132 28.499 4.428 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.114 27.188 2.328 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.536 27.150 3.150 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.774 28.193 1.728 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.586 29.096 2.556 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.331 30.199 1.943 1.00 25.00 H new ATOM 0 HD23 LEU A 38 25.101 30.514 3.516 1.00 25.00 H new ATOM 563 N LYS A 39 22.285 29.493 7.072 1.00 25.00 N ATOM 564 CA LYS A 39 22.814 29.103 8.392 1.00 25.00 C ATOM 565 C LYS A 39 21.881 28.150 9.131 1.00 25.00 C ATOM 566 O LYS A 39 22.339 27.363 9.947 1.00 25.00 O ATOM 567 CB LYS A 39 23.171 30.313 9.266 1.00 25.00 C ATOM 568 CG LYS A 39 22.154 31.442 9.251 1.00 25.00 C ATOM 569 CD LYS A 39 22.509 32.574 10.202 1.00 25.00 C ATOM 570 CE LYS A 39 23.676 33.400 9.656 1.00 25.00 C ATOM 571 NZ LYS A 39 23.972 34.578 10.536 1.00 25.00 N ATOM 0 H LYS A 39 22.034 30.477 6.977 1.00 25.00 H new ATOM 0 HA LYS A 39 23.741 28.566 8.192 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.299 29.974 10.294 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.133 30.707 8.938 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.073 31.837 8.238 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.174 31.045 9.517 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.641 33.217 10.349 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.772 32.166 11.178 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.563 32.771 9.577 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.439 33.746 8.650 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.768 35.117 10.138 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 23.133 35.190 10.591 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 24.221 34.245 11.489 1.00 25.00 H new ATOM 585 N GLU A 40 20.593 28.199 8.832 1.00 25.00 N ATOM 586 CA GLU A 40 19.637 27.280 9.448 1.00 25.00 C ATOM 587 C GLU A 40 19.656 25.907 8.746 1.00 25.00 C ATOM 588 O GLU A 40 19.804 24.871 9.387 1.00 25.00 O ATOM 589 CB GLU A 40 18.233 27.895 9.378 1.00 25.00 C ATOM 590 CG GLU A 40 17.182 27.147 10.197 1.00 25.00 C ATOM 591 CD GLU A 40 16.148 26.457 9.323 1.00 25.00 C ATOM 592 OE1 GLU A 40 15.471 27.145 8.529 1.00 25.00 O ATOM 593 OE2 GLU A 40 16.010 25.223 9.405 1.00 25.00 O ATOM 0 H GLU A 40 20.183 28.859 8.171 1.00 25.00 H new ATOM 0 HA GLU A 40 19.918 27.123 10.489 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.282 28.927 9.726 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.913 27.925 8.337 1.00 25.00 H new ATOM 0 HG2 GLU A 40 17.675 26.405 10.825 1.00 25.00 H new ATOM 0 HG3 GLU A 40 16.680 27.847 10.865 1.00 25.00 H new ATOM 600 N ARG A 41 19.519 25.914 7.427 1.00 25.00 N ATOM 601 CA ARG A 41 19.461 24.675 6.628 1.00 25.00 C ATOM 602 C ARG A 41 20.814 23.993 6.422 1.00 25.00 C ATOM 603 O ARG A 41 20.886 22.771 6.322 1.00 25.00 O ATOM 604 CB ARG A 41 18.877 24.985 5.239 1.00 25.00 C ATOM 605 CG ARG A 41 17.467 25.592 5.251 1.00 25.00 C ATOM 606 CD ARG A 41 16.385 24.566 5.558 1.00 25.00 C ATOM 607 NE ARG A 41 15.390 25.144 6.471 1.00 25.00 N ATOM 608 CZ ARG A 41 14.093 24.880 6.490 1.00 25.00 C ATOM 609 NH1 ARG A 41 13.523 24.046 5.654 1.00 25.00 N ATOM 610 NH2 ARG A 41 13.359 25.478 7.380 1.00 25.00 N ATOM 0 H ARG A 41 19.444 26.768 6.874 1.00 25.00 H new ATOM 0 HA ARG A 41 18.834 23.990 7.199 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.548 25.672 4.724 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.855 24.064 4.656 1.00 25.00 H new ATOM 0 HG2 ARG A 41 17.426 26.389 5.993 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.264 26.048 4.282 1.00 25.00 H new ATOM 0 HD2 ARG A 41 15.902 24.247 4.634 1.00 25.00 H new ATOM 0 HD3 ARG A 41 16.831 23.678 6.007 1.00 25.00 H new ATOM 0 HE ARG A 41 15.732 25.815 7.158 1.00 25.00 H new ATOM 0 HH11 ARG A 41 14.084 23.568 4.949 1.00 25.00 H new ATOM 0 HH12 ARG A 41 12.519 23.876 5.709 1.00 25.00 H new ATOM 0 HH21 ARG A 41 13.786 26.130 8.038 1.00 25.00 H new ATOM 0 HH22 ARG A 41 12.356 25.296 7.420 1.00 25.00 H new ATOM 624 N ASN A 42 21.870 24.779 6.282 1.00 25.00 N ATOM 625 CA ASN A 42 23.219 24.261 6.006 1.00 25.00 C ATOM 626 C ASN A 42 24.315 25.009 6.779 1.00 25.00 C ATOM 627 O ASN A 42 25.117 25.744 6.179 1.00 25.00 O ATOM 628 CB ASN A 42 23.531 24.374 4.507 1.00 25.00 C ATOM 629 CG ASN A 42 24.682 23.496 4.093 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.402 22.976 4.919 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.860 23.321 2.819 1.00 25.00 N ATOM 0 H ASN A 42 21.826 25.795 6.355 1.00 25.00 H new ATOM 0 HA ASN A 42 23.219 23.221 6.331 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.645 24.102 3.933 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.763 25.411 4.264 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.623 22.732 2.487 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.236 23.773 2.150 1.00 25.00 H new ATOM 638 N PRO A 43 24.389 24.824 8.108 1.00 25.00 N ATOM 639 CA PRO A 43 25.440 25.569 8.816 1.00 25.00 C ATOM 640 C PRO A 43 26.902 25.417 8.318 1.00 25.00 C ATOM 641 O PRO A 43 27.616 26.420 8.284 1.00 25.00 O ATOM 642 CB PRO A 43 25.269 25.127 10.278 1.00 25.00 C ATOM 643 CG PRO A 43 24.461 23.869 10.227 1.00 25.00 C ATOM 644 CD PRO A 43 23.573 24.016 9.034 1.00 25.00 C ATOM 0 HA PRO A 43 25.302 26.635 8.638 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.236 24.953 10.750 1.00 25.00 H new ATOM 0 HB3 PRO A 43 24.762 25.895 10.863 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.103 22.993 10.133 1.00 25.00 H new ATOM 0 HG3 PRO A 43 23.877 23.740 11.138 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.313 23.049 8.603 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.637 24.515 9.287 1.00 25.00 H new ATOM 652 N PRO A 44 27.358 24.214 7.877 1.00 25.00 N ATOM 653 CA PRO A 44 28.746 24.280 7.393 1.00 25.00 C ATOM 654 C PRO A 44 28.977 25.065 6.083 1.00 25.00 C ATOM 655 O PRO A 44 30.048 25.644 5.905 1.00 25.00 O ATOM 656 CB PRO A 44 29.124 22.809 7.228 1.00 25.00 C ATOM 657 CG PRO A 44 27.865 22.149 6.913 1.00 25.00 C ATOM 658 CD PRO A 44 26.850 22.829 7.793 1.00 25.00 C ATOM 0 HA PRO A 44 29.360 24.841 8.098 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.855 22.673 6.431 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.567 22.407 8.139 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.613 22.259 5.858 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.915 21.080 7.119 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.850 22.791 7.360 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.790 22.361 8.776 1.00 25.00 H new ATOM 666 N LEU A 45 28.007 25.140 5.169 1.00 25.00 N ATOM 667 CA LEU A 45 28.204 26.000 3.994 1.00 25.00 C ATOM 668 C LEU A 45 28.123 27.440 4.454 1.00 25.00 C ATOM 669 O LEU A 45 28.847 28.314 3.977 1.00 25.00 O ATOM 670 CB LEU A 45 27.159 25.760 2.908 1.00 25.00 C ATOM 671 CG LEU A 45 27.386 26.522 1.582 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.784 26.278 0.981 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.332 26.096 0.565 1.00 25.00 C ATOM 0 H LEU A 45 27.117 24.643 5.210 1.00 25.00 H new ATOM 0 HA LEU A 45 29.175 25.768 3.558 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.125 24.692 2.691 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.181 26.037 3.302 1.00 25.00 H new ATOM 0 HG LEU A 45 27.307 27.585 1.809 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.884 26.839 0.052 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.546 26.607 1.687 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.912 25.215 0.778 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.491 26.633 -0.370 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.411 25.024 0.386 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.339 26.327 0.951 1.00 25.00 H new ATOM 685 N ALA A 46 27.234 27.680 5.400 1.00 25.00 N ATOM 686 CA ALA A 46 27.056 29.021 5.922 1.00 25.00 C ATOM 687 C ALA A 46 28.322 29.572 6.576 1.00 25.00 C ATOM 688 O ALA A 46 28.701 30.679 6.276 1.00 25.00 O ATOM 689 CB ALA A 46 25.919 29.054 6.892 1.00 25.00 C ATOM 0 H ALA A 46 26.630 26.972 5.818 1.00 25.00 H new ATOM 0 HA ALA A 46 26.830 29.664 5.072 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.797 30.067 7.276 1.00 25.00 H new ATOM 0 HB2 ALA A 46 25.003 28.744 6.389 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.127 28.375 7.719 1.00 25.00 H new ATOM 695 N GLU A 47 28.972 28.829 7.463 1.00 25.00 N ATOM 696 CA GLU A 47 30.169 29.351 8.150 1.00 25.00 C ATOM 697 C GLU A 47 31.282 29.679 7.147 1.00 25.00 C ATOM 698 O GLU A 47 32.048 30.633 7.329 1.00 25.00 O ATOM 699 CB GLU A 47 30.673 28.385 9.232 1.00 25.00 C ATOM 700 CG GLU A 47 31.166 27.048 8.717 1.00 25.00 C ATOM 701 CD GLU A 47 31.669 26.152 9.830 1.00 25.00 C ATOM 702 OE1 GLU A 47 31.067 25.082 10.060 1.00 25.00 O ATOM 703 OE2 GLU A 47 32.685 26.514 10.464 1.00 25.00 O ATOM 0 H GLU A 47 28.706 27.880 7.727 1.00 25.00 H new ATOM 0 HA GLU A 47 29.877 30.275 8.649 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.482 28.867 9.780 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.867 28.208 9.944 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.357 26.545 8.186 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.967 27.212 7.996 1.00 25.00 H new ATOM 710 N ALA A 48 31.326 28.925 6.060 1.00 25.00 N ATOM 711 CA ALA A 48 32.259 29.172 4.988 1.00 25.00 C ATOM 712 C ALA A 48 31.961 30.519 4.320 1.00 25.00 C ATOM 713 O ALA A 48 32.875 31.281 4.011 1.00 25.00 O ATOM 714 CB ALA A 48 32.174 28.028 3.986 1.00 25.00 C ATOM 0 H ALA A 48 30.713 28.125 5.902 1.00 25.00 H new ATOM 0 HA ALA A 48 33.273 29.221 5.384 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.876 28.205 3.171 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.424 27.090 4.482 1.00 25.00 H new ATOM 0 HB3 ALA A 48 31.162 27.969 3.586 1.00 25.00 H new ATOM 720 N LEU A 49 30.682 30.824 4.153 1.00 25.00 N ATOM 721 CA LEU A 49 30.251 32.100 3.592 1.00 25.00 C ATOM 722 C LEU A 49 30.596 33.246 4.540 1.00 25.00 C ATOM 723 O LEU A 49 31.053 34.298 4.106 1.00 25.00 O ATOM 724 CB LEU A 49 28.731 32.083 3.383 1.00 25.00 C ATOM 725 CG LEU A 49 28.136 33.346 2.759 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.294 33.298 1.257 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.673 33.469 3.155 1.00 25.00 C ATOM 0 H LEU A 49 29.916 30.198 4.401 1.00 25.00 H new ATOM 0 HA LEU A 49 30.764 32.248 2.642 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.479 31.233 2.749 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.251 31.915 4.347 1.00 25.00 H new ATOM 0 HG LEU A 49 28.666 34.225 3.127 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.868 34.200 0.817 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.352 33.236 1.004 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.775 32.424 0.864 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.250 34.370 2.710 1.00 25.00 H new ATOM 0 HD22 LEU A 49 26.125 32.596 2.799 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.594 33.529 4.240 1.00 25.00 H new ATOM 739 N LEU A 50 30.366 33.037 5.833 1.00 25.00 N ATOM 740 CA LEU A 50 30.553 34.098 6.836 1.00 25.00 C ATOM 741 C LEU A 50 32.003 34.539 6.902 1.00 25.00 C ATOM 742 O LEU A 50 32.306 35.664 7.280 1.00 25.00 O ATOM 743 CB LEU A 50 30.146 33.628 8.244 1.00 25.00 C ATOM 744 CG LEU A 50 28.774 32.973 8.466 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.482 32.868 9.944 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.633 33.661 7.724 1.00 25.00 C ATOM 0 H LEU A 50 30.050 32.147 6.217 1.00 25.00 H new ATOM 0 HA LEU A 50 29.917 34.927 6.524 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.902 32.919 8.581 1.00 25.00 H new ATOM 0 HB3 LEU A 50 30.203 34.493 8.904 1.00 25.00 H new ATOM 0 HG LEU A 50 28.834 31.973 8.036 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.507 32.402 10.090 1.00 25.00 H new ATOM 0 HD12 LEU A 50 29.250 32.261 10.424 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.478 33.864 10.386 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.698 33.140 7.931 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.554 34.696 8.057 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.831 33.639 6.652 1.00 25.00 H new ATOM 758 N SER A 51 32.897 33.630 6.554 1.00 25.00 N ATOM 759 CA SER A 51 34.317 33.899 6.581 1.00 25.00 C ATOM 760 C SER A 51 34.761 34.789 5.417 1.00 25.00 C ATOM 761 O SER A 51 35.821 35.395 5.470 1.00 25.00 O ATOM 762 CB SER A 51 35.047 32.580 6.492 1.00 25.00 C ATOM 763 OG SER A 51 34.667 31.700 7.545 1.00 25.00 O ATOM 0 H SER A 51 32.656 32.688 6.246 1.00 25.00 H new ATOM 0 HA SER A 51 34.548 34.427 7.506 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.837 32.111 5.531 1.00 25.00 H new ATOM 0 HB3 SER A 51 36.122 32.755 6.533 1.00 25.00 H new ATOM 0 HG SER A 51 33.753 31.382 7.392 1.00 25.00 H new ATOM 769 N GLY A 52 33.973 34.824 4.348 1.00 25.00 N ATOM 770 CA GLY A 52 34.318 35.618 3.172 1.00 25.00 C ATOM 771 C GLY A 52 35.192 34.855 2.189 1.00 25.00 C ATOM 772 O GLY A 52 35.156 35.099 0.979 1.00 25.00 O ATOM 0 H GLY A 52 33.093 34.314 4.270 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.403 35.934 2.670 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.837 36.523 3.488 1.00 25.00 H new ATOM 776 N ASP A 53 35.952 33.909 2.722 1.00 25.00 N ATOM 777 CA ASP A 53 36.823 33.028 1.959 1.00 25.00 C ATOM 778 C ASP A 53 36.048 32.228 0.918 1.00 25.00 C ATOM 779 O ASP A 53 35.396 31.231 1.223 1.00 25.00 O ATOM 780 CB ASP A 53 37.508 32.091 2.925 1.00 25.00 C ATOM 781 CG ASP A 53 38.682 32.722 3.622 1.00 25.00 C ATOM 782 OD1 ASP A 53 38.800 32.520 4.850 1.00 25.00 O ATOM 783 OD2 ASP A 53 39.495 33.389 2.953 1.00 25.00 O ATOM 0 H ASP A 53 35.980 33.729 3.726 1.00 25.00 H new ATOM 0 HA ASP A 53 37.554 33.632 1.421 1.00 25.00 H new ATOM 0 HB2 ASP A 53 36.787 31.756 3.671 1.00 25.00 H new ATOM 0 HB3 ASP A 53 37.845 31.205 2.386 1.00 25.00 H new ATOM 788 N LEU A 54 36.143 32.651 -0.334 1.00 25.00 N ATOM 789 CA LEU A 54 35.484 31.933 -1.416 1.00 25.00 C ATOM 790 C LEU A 54 36.071 30.537 -1.485 1.00 25.00 C ATOM 791 O LEU A 54 35.376 29.582 -1.772 1.00 25.00 O ATOM 792 CB LEU A 54 35.681 32.650 -2.756 1.00 25.00 C ATOM 793 CG LEU A 54 35.005 32.045 -4.010 1.00 25.00 C ATOM 794 CD1 LEU A 54 35.882 31.005 -4.722 1.00 25.00 C ATOM 795 CD2 LEU A 54 33.613 31.461 -3.740 1.00 25.00 C ATOM 0 H LEU A 54 36.664 33.478 -0.624 1.00 25.00 H new ATOM 0 HA LEU A 54 34.413 31.889 -1.220 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.321 33.673 -2.643 1.00 25.00 H new ATOM 0 HB3 LEU A 54 36.752 32.708 -2.949 1.00 25.00 H new ATOM 0 HG LEU A 54 34.877 32.897 -4.677 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.353 30.618 -5.593 1.00 25.00 H new ATOM 0 HD12 LEU A 54 36.814 31.472 -5.041 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.103 30.186 -4.038 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.203 31.056 -4.665 1.00 25.00 H new ATOM 0 HD22 LEU A 54 33.690 30.666 -2.998 1.00 25.00 H new ATOM 0 HD23 LEU A 54 32.956 32.245 -3.365 1.00 25.00 H new ATOM 807 N GLU A 55 37.356 30.408 -1.209 1.00 25.00 N ATOM 808 CA GLU A 55 37.985 29.095 -1.274 1.00 25.00 C ATOM 809 C GLU A 55 37.305 28.082 -0.345 1.00 25.00 C ATOM 810 O GLU A 55 36.978 26.989 -0.786 1.00 25.00 O ATOM 811 CB GLU A 55 39.483 29.170 -1.038 1.00 25.00 C ATOM 812 CG GLU A 55 39.914 29.705 0.281 1.00 25.00 C ATOM 813 CD GLU A 55 40.564 28.623 1.130 1.00 25.00 C ATOM 814 OE1 GLU A 55 39.864 27.637 1.459 1.00 25.00 O ATOM 815 OE2 GLU A 55 41.767 28.714 1.418 1.00 25.00 O ATOM 0 H GLU A 55 37.975 31.174 -0.943 1.00 25.00 H new ATOM 0 HA GLU A 55 37.844 28.729 -2.291 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.899 28.169 -1.154 1.00 25.00 H new ATOM 0 HB3 GLU A 55 39.922 29.790 -1.819 1.00 25.00 H new ATOM 0 HG2 GLU A 55 40.617 30.524 0.131 1.00 25.00 H new ATOM 0 HG3 GLU A 55 39.053 30.116 0.808 1.00 25.00 H new ATOM 822 N LYS A 56 37.008 28.453 0.898 1.00 25.00 N ATOM 823 CA LYS A 56 36.312 27.535 1.802 1.00 25.00 C ATOM 824 C LYS A 56 34.860 27.404 1.407 1.00 25.00 C ATOM 825 O LYS A 56 34.307 26.323 1.500 1.00 25.00 O ATOM 826 CB LYS A 56 36.478 27.910 3.287 1.00 25.00 C ATOM 827 CG LYS A 56 35.846 29.144 3.772 1.00 25.00 C ATOM 828 CD LYS A 56 36.447 29.539 5.137 1.00 25.00 C ATOM 829 CE LYS A 56 35.916 28.719 6.313 1.00 25.00 C ATOM 830 NZ LYS A 56 36.397 29.295 7.616 1.00 25.00 N ATOM 0 H LYS A 56 37.232 29.364 1.299 1.00 25.00 H new ATOM 0 HA LYS A 56 36.784 26.558 1.696 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.092 27.083 3.883 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.546 27.981 3.494 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.997 29.948 3.052 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.770 28.999 3.867 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.530 29.429 5.091 1.00 25.00 H new ATOM 0 HD3 LYS A 56 36.242 30.594 5.321 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.826 28.708 6.294 1.00 25.00 H new ATOM 0 HE3 LYS A 56 36.247 27.684 6.222 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 36.219 28.616 8.383 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 37.417 29.488 7.555 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.888 30.181 7.813 1.00 25.00 H new ATOM 844 N PHE A 57 34.257 28.467 0.902 1.00 25.00 N ATOM 845 CA PHE A 57 32.877 28.382 0.426 1.00 25.00 C ATOM 846 C PHE A 57 32.775 27.346 -0.692 1.00 25.00 C ATOM 847 O PHE A 57 31.973 26.437 -0.613 1.00 25.00 O ATOM 848 CB PHE A 57 32.374 29.748 -0.046 1.00 25.00 C ATOM 849 CG PHE A 57 30.953 29.724 -0.528 1.00 25.00 C ATOM 850 CD1 PHE A 57 29.889 29.813 0.387 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.665 29.601 -1.901 1.00 25.00 C ATOM 852 CE1 PHE A 57 28.547 29.779 -0.061 1.00 25.00 C ATOM 853 CE2 PHE A 57 29.326 29.566 -2.358 1.00 25.00 C ATOM 854 CZ PHE A 57 28.268 29.655 -1.437 1.00 25.00 C ATOM 0 H PHE A 57 34.688 29.387 0.810 1.00 25.00 H new ATOM 0 HA PHE A 57 32.242 28.066 1.254 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.460 30.462 0.773 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.017 30.106 -0.850 1.00 25.00 H new ATOM 0 HD1 PHE A 57 30.098 29.908 1.442 1.00 25.00 H new ATOM 0 HD2 PHE A 57 31.474 29.533 -2.613 1.00 25.00 H new ATOM 0 HE1 PHE A 57 27.738 29.848 0.651 1.00 25.00 H new ATOM 0 HE2 PHE A 57 29.117 29.471 -3.413 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.245 29.628 -1.782 1.00 25.00 H new ATOM 864 N SER A 58 33.634 27.450 -1.695 1.00 25.00 N ATOM 865 CA SER A 58 33.675 26.493 -2.799 1.00 25.00 C ATOM 866 C SER A 58 34.060 25.087 -2.340 1.00 25.00 C ATOM 867 O SER A 58 33.492 24.100 -2.796 1.00 25.00 O ATOM 868 CB SER A 58 34.693 26.970 -3.838 1.00 25.00 C ATOM 869 OG SER A 58 34.700 26.121 -4.970 1.00 25.00 O ATOM 0 H SER A 58 34.323 28.198 -1.770 1.00 25.00 H new ATOM 0 HA SER A 58 32.673 26.441 -3.224 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.455 27.988 -4.145 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.687 26.996 -3.392 1.00 25.00 H new ATOM 0 HG SER A 58 35.357 26.447 -5.620 1.00 25.00 H new ATOM 875 N ARG A 59 35.011 24.996 -1.419 1.00 25.00 N ATOM 876 CA ARG A 59 35.478 23.709 -0.900 1.00 25.00 C ATOM 877 C ARG A 59 34.337 22.965 -0.221 1.00 25.00 C ATOM 878 O ARG A 59 34.150 21.775 -0.417 1.00 25.00 O ATOM 879 CB ARG A 59 36.601 23.973 0.104 1.00 25.00 C ATOM 880 CG ARG A 59 37.284 22.743 0.656 1.00 25.00 C ATOM 881 CD ARG A 59 37.844 23.021 2.047 1.00 25.00 C ATOM 882 NE ARG A 59 38.795 24.153 2.094 1.00 25.00 N ATOM 883 CZ ARG A 59 39.649 24.388 3.087 1.00 25.00 C ATOM 884 NH1 ARG A 59 39.748 23.593 4.126 1.00 25.00 N ATOM 885 NH2 ARG A 59 40.417 25.436 3.045 1.00 25.00 N ATOM 0 H ARG A 59 35.480 25.804 -1.011 1.00 25.00 H new ATOM 0 HA ARG A 59 35.845 23.092 -1.720 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.353 24.600 -0.375 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.193 24.545 0.937 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.575 21.916 0.702 1.00 25.00 H new ATOM 0 HG3 ARG A 59 38.089 22.436 -0.012 1.00 25.00 H new ATOM 0 HD2 ARG A 59 37.017 23.225 2.727 1.00 25.00 H new ATOM 0 HD3 ARG A 59 38.343 22.124 2.413 1.00 25.00 H new ATOM 0 HE ARG A 59 38.796 24.802 1.307 1.00 25.00 H new ATOM 0 HH11 ARG A 59 39.159 22.763 4.191 1.00 25.00 H new ATOM 0 HH12 ARG A 59 40.414 23.805 4.869 1.00 25.00 H new ATOM 0 HH21 ARG A 59 40.364 26.076 2.252 1.00 25.00 H new ATOM 0 HH22 ARG A 59 41.073 25.619 3.805 1.00 25.00 H new ATOM 899 N VAL A 60 33.562 23.674 0.572 1.00 25.00 N ATOM 900 CA VAL A 60 32.433 23.066 1.253 1.00 25.00 C ATOM 901 C VAL A 60 31.299 22.810 0.254 1.00 25.00 C ATOM 902 O VAL A 60 30.612 21.788 0.327 1.00 25.00 O ATOM 903 CB VAL A 60 31.961 23.962 2.417 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.726 23.394 3.039 1.00 25.00 C ATOM 905 CG2 VAL A 60 33.071 24.072 3.480 1.00 25.00 C ATOM 0 H VAL A 60 33.690 24.668 0.762 1.00 25.00 H new ATOM 0 HA VAL A 60 32.741 22.109 1.674 1.00 25.00 H new ATOM 0 HB VAL A 60 31.738 24.954 2.025 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.403 24.036 3.859 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.935 23.336 2.291 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.937 22.395 3.421 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.730 24.706 4.298 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.307 23.080 3.864 1.00 25.00 H new ATOM 0 HG23 VAL A 60 33.963 24.508 3.031 1.00 25.00 H new ATOM 915 N LEU A 61 31.136 23.710 -0.707 1.00 25.00 N ATOM 916 CA LEU A 61 30.095 23.567 -1.723 1.00 25.00 C ATOM 917 C LEU A 61 30.285 22.278 -2.512 1.00 25.00 C ATOM 918 O LEU A 61 29.329 21.545 -2.735 1.00 25.00 O ATOM 919 CB LEU A 61 30.118 24.766 -2.684 1.00 25.00 C ATOM 920 CG LEU A 61 28.859 24.949 -3.546 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.010 26.022 -2.911 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.166 25.367 -4.980 1.00 25.00 C ATOM 0 H LEU A 61 31.710 24.547 -0.806 1.00 25.00 H new ATOM 0 HA LEU A 61 29.131 23.531 -1.216 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.272 25.674 -2.101 1.00 25.00 H new ATOM 0 HB3 LEU A 61 30.978 24.662 -3.346 1.00 25.00 H new ATOM 0 HG LEU A 61 28.350 23.986 -3.592 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.108 26.171 -3.505 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.733 25.717 -1.902 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.574 26.954 -2.867 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.234 25.479 -5.534 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.702 26.316 -4.976 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.782 24.605 -5.457 1.00 25.00 H new ATOM 934 N VAL A 62 31.510 21.982 -2.930 1.00 25.00 N ATOM 935 CA VAL A 62 31.756 20.771 -3.716 1.00 25.00 C ATOM 936 C VAL A 62 31.565 19.519 -2.860 1.00 25.00 C ATOM 937 O VAL A 62 31.036 18.521 -3.336 1.00 25.00 O ATOM 938 CB VAL A 62 33.150 20.792 -4.432 1.00 25.00 C ATOM 939 CG1 VAL A 62 34.322 20.729 -3.454 1.00 25.00 C ATOM 940 CG2 VAL A 62 33.250 19.644 -5.428 1.00 25.00 C ATOM 0 H VAL A 62 32.337 22.550 -2.744 1.00 25.00 H new ATOM 0 HA VAL A 62 31.013 20.745 -4.513 1.00 25.00 H new ATOM 0 HB VAL A 62 33.217 21.746 -4.955 1.00 25.00 H new ATOM 0 HG11 VAL A 62 35.260 20.747 -4.009 1.00 25.00 H new ATOM 0 HG12 VAL A 62 34.282 21.586 -2.782 1.00 25.00 H new ATOM 0 HG13 VAL A 62 34.262 19.809 -2.873 1.00 25.00 H new ATOM 0 HG21 VAL A 62 34.223 19.671 -5.918 1.00 25.00 H new ATOM 0 HG22 VAL A 62 33.134 18.696 -4.903 1.00 25.00 H new ATOM 0 HG23 VAL A 62 32.464 19.743 -6.177 1.00 25.00 H new ATOM 950 N GLU A 63 31.909 19.585 -1.585 1.00 25.00 N ATOM 951 CA GLU A 63 31.657 18.459 -0.677 1.00 25.00 C ATOM 952 C GLU A 63 30.156 18.192 -0.573 1.00 25.00 C ATOM 953 O GLU A 63 29.707 17.059 -0.731 1.00 25.00 O ATOM 954 CB GLU A 63 32.238 18.724 0.716 1.00 25.00 C ATOM 955 CG GLU A 63 33.748 18.532 0.797 1.00 25.00 C ATOM 956 CD GLU A 63 34.173 17.131 0.380 1.00 25.00 C ATOM 957 OE1 GLU A 63 33.518 16.151 0.801 1.00 25.00 O ATOM 958 OE2 GLU A 63 35.126 17.014 -0.419 1.00 25.00 O ATOM 0 H GLU A 63 32.358 20.392 -1.151 1.00 25.00 H new ATOM 0 HA GLU A 63 32.153 17.580 -1.089 1.00 25.00 H new ATOM 0 HB2 GLU A 63 31.994 19.744 1.014 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.757 18.059 1.433 1.00 25.00 H new ATOM 0 HG2 GLU A 63 34.240 19.265 0.158 1.00 25.00 H new ATOM 0 HG3 GLU A 63 34.083 18.723 1.817 1.00 25.00 H new