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 -44:sc= 0.268 USER MOD Set 1.2: A 56 LYS NZ :NH3+ 157:sc= 0.257 (180deg=-0.0685) USER MOD Single : A 27 MET CE :methyl -179:sc= -0.255 (180deg=-0.256) USER MOD Single : A 31 ASN : amide:sc= -1.57 K(o=-1.6,f=-7.6!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0255 X(o=-0.025,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0532 K(o=-0.053,f=-4.2!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 272 N PRO A 21 30.437 29.242 -8.101 1.00 25.00 N ATOM 273 CA PRO A 21 30.260 29.393 -6.659 1.00 25.00 C ATOM 274 C PRO A 21 30.611 30.777 -6.162 1.00 25.00 C ATOM 275 O PRO A 21 30.104 31.213 -5.148 1.00 25.00 O ATOM 276 CB PRO A 21 31.214 28.351 -6.097 1.00 25.00 C ATOM 277 CG PRO A 21 32.258 28.230 -7.092 1.00 25.00 C ATOM 278 CD PRO A 21 31.577 28.364 -8.408 1.00 25.00 C ATOM 0 HA PRO A 21 29.222 29.259 -6.353 1.00 25.00 H new ATOM 0 HB2 PRO A 21 31.619 28.664 -5.135 1.00 25.00 H new ATOM 0 HB3 PRO A 21 30.709 27.399 -5.936 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.014 29.004 -6.962 1.00 25.00 H new ATOM 0 HG3 PRO A 21 32.767 27.270 -7.011 1.00 25.00 H new ATOM 0 HD2 PRO A 21 32.233 28.802 -9.160 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.251 27.398 -8.794 1.00 25.00 H new ATOM 286 N ALA A 22 31.457 31.484 -6.894 1.00 25.00 N ATOM 287 CA ALA A 22 31.801 32.847 -6.526 1.00 25.00 C ATOM 288 C ALA A 22 30.564 33.732 -6.643 1.00 25.00 C ATOM 289 O ALA A 22 30.319 34.564 -5.784 1.00 25.00 O ATOM 290 CB ALA A 22 32.927 33.367 -7.412 1.00 25.00 C ATOM 0 H ALA A 22 31.914 31.140 -7.739 1.00 25.00 H new ATOM 0 HA ALA A 22 32.151 32.866 -5.494 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.174 34.389 -7.125 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.806 32.734 -7.292 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.607 33.350 -8.454 1.00 25.00 H new ATOM 296 N LEU A 23 29.770 33.516 -7.687 1.00 25.00 N ATOM 297 CA LEU A 23 28.550 34.300 -7.886 1.00 25.00 C ATOM 298 C LEU A 23 27.521 33.930 -6.829 1.00 25.00 C ATOM 299 O LEU A 23 26.843 34.794 -6.296 1.00 25.00 O ATOM 300 CB LEU A 23 27.948 34.071 -9.283 1.00 25.00 C ATOM 301 CG LEU A 23 28.812 34.430 -10.509 1.00 25.00 C ATOM 302 CD1 LEU A 23 27.998 34.207 -11.789 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.309 35.860 -10.476 1.00 25.00 C ATOM 0 H LEU A 23 29.945 32.812 -8.404 1.00 25.00 H new ATOM 0 HA LEU A 23 28.816 35.353 -7.798 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.677 33.018 -9.362 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.023 34.644 -9.347 1.00 25.00 H new ATOM 0 HG LEU A 23 29.687 33.781 -10.488 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.607 34.460 -12.656 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.696 33.161 -11.851 1.00 25.00 H new ATOM 0 HD13 LEU A 23 27.111 34.840 -11.771 1.00 25.00 H new ATOM 0 HD21 LEU A 23 29.911 36.056 -11.363 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.458 36.541 -10.457 1.00 25.00 H new ATOM 0 HD23 LEU A 23 29.916 36.014 -9.584 1.00 25.00 H new ATOM 315 N LEU A 24 27.420 32.648 -6.498 1.00 25.00 N ATOM 316 CA LEU A 24 26.484 32.223 -5.460 1.00 25.00 C ATOM 317 C LEU A 24 26.890 32.801 -4.108 1.00 25.00 C ATOM 318 O LEU A 24 26.056 33.325 -3.385 1.00 25.00 O ATOM 319 CB LEU A 24 26.408 30.695 -5.370 1.00 25.00 C ATOM 320 CG LEU A 24 25.452 30.169 -4.280 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.045 30.757 -4.393 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.374 28.664 -4.339 1.00 25.00 C ATOM 0 H LEU A 24 27.963 31.896 -6.923 1.00 25.00 H new ATOM 0 HA LEU A 24 25.497 32.600 -5.730 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.091 30.301 -6.336 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.407 30.304 -5.179 1.00 25.00 H new ATOM 0 HG LEU A 24 25.863 30.487 -3.322 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.416 30.351 -3.601 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.095 31.842 -4.297 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.619 30.498 -5.362 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.696 28.304 -3.565 1.00 25.00 H new ATOM 0 HD22 LEU A 24 25.004 28.357 -5.317 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.366 28.242 -4.178 1.00 25.00 H new ATOM 334 N ARG A 25 28.177 32.748 -3.793 1.00 25.00 N ATOM 335 CA ARG A 25 28.700 33.339 -2.565 1.00 25.00 C ATOM 336 C ARG A 25 28.334 34.812 -2.524 1.00 25.00 C ATOM 337 O ARG A 25 27.901 35.316 -1.506 1.00 25.00 O ATOM 338 CB ARG A 25 30.226 33.184 -2.537 1.00 25.00 C ATOM 339 CG ARG A 25 30.914 33.742 -1.293 1.00 25.00 C ATOM 340 CD ARG A 25 32.261 34.353 -1.647 1.00 25.00 C ATOM 341 NE ARG A 25 32.097 35.544 -2.503 1.00 25.00 N ATOM 342 CZ ARG A 25 32.988 36.520 -2.655 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.142 36.513 -2.031 1.00 25.00 N ATOM 344 NH2 ARG A 25 32.713 37.526 -3.438 1.00 25.00 N ATOM 0 H ARG A 25 28.884 32.299 -4.375 1.00 25.00 H new ATOM 0 HA ARG A 25 28.270 32.834 -1.700 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.469 32.125 -2.623 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.642 33.679 -3.415 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.279 34.496 -0.828 1.00 25.00 H new ATOM 0 HG3 ARG A 25 31.052 32.946 -0.561 1.00 25.00 H new ATOM 0 HD2 ARG A 25 32.790 34.628 -0.734 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.875 33.614 -2.161 1.00 25.00 H new ATOM 0 HE ARG A 25 31.224 35.626 -3.024 1.00 25.00 H new ATOM 0 HH11 ARG A 25 34.379 35.743 -1.406 1.00 25.00 H new ATOM 0 HH12 ARG A 25 34.802 37.278 -2.171 1.00 25.00 H new ATOM 0 HH21 ARG A 25 31.820 37.561 -3.929 1.00 25.00 H new ATOM 0 HH22 ARG A 25 33.391 38.278 -3.559 1.00 25.00 H new ATOM 358 N ASP A 26 28.516 35.499 -3.635 1.00 25.00 N ATOM 359 CA ASP A 26 28.245 36.929 -3.700 1.00 25.00 C ATOM 360 C ASP A 26 26.758 37.246 -3.514 1.00 25.00 C ATOM 361 O ASP A 26 26.396 38.132 -2.748 1.00 25.00 O ATOM 362 CB ASP A 26 28.736 37.464 -5.036 1.00 25.00 C ATOM 363 CG ASP A 26 29.243 38.875 -4.932 1.00 25.00 C ATOM 364 OD1 ASP A 26 30.396 39.024 -4.461 1.00 25.00 O ATOM 365 OD2 ASP A 26 28.531 39.821 -5.314 1.00 25.00 O ATOM 0 H ASP A 26 28.851 35.093 -4.509 1.00 25.00 H new ATOM 0 HA ASP A 26 28.776 37.415 -2.881 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.532 36.821 -5.412 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.924 37.424 -5.762 1.00 25.00 H new ATOM 370 N MET A 27 25.902 36.463 -4.162 1.00 25.00 N ATOM 371 CA MET A 27 24.449 36.619 -4.031 1.00 25.00 C ATOM 372 C MET A 27 24.051 36.428 -2.584 1.00 25.00 C ATOM 373 O MET A 27 23.326 37.228 -2.012 1.00 25.00 O ATOM 374 CB MET A 27 23.737 35.571 -4.899 1.00 25.00 C ATOM 375 CG MET A 27 22.214 35.714 -4.967 1.00 25.00 C ATOM 376 SD MET A 27 21.280 35.178 -3.490 1.00 25.00 S ATOM 377 CE MET A 27 21.461 33.376 -3.537 1.00 25.00 C ATOM 0 H MET A 27 26.187 35.709 -4.787 1.00 25.00 H new ATOM 0 HA MET A 27 24.161 37.617 -4.361 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.138 35.627 -5.911 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.977 34.579 -4.515 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.977 36.760 -5.159 1.00 25.00 H new ATOM 0 HG3 MET A 27 21.855 35.143 -5.824 1.00 25.00 H new ATOM 0 HE1 MET A 27 20.921 32.934 -2.699 1.00 25.00 H new ATOM 0 HE2 MET A 27 21.054 32.994 -4.473 1.00 25.00 H new ATOM 0 HE3 MET A 27 22.517 33.114 -3.467 1.00 25.00 H new ATOM 387 N LEU A 28 24.551 35.356 -1.996 1.00 25.00 N ATOM 388 CA LEU A 28 24.255 35.018 -0.612 1.00 25.00 C ATOM 389 C LEU A 28 24.715 36.102 0.347 1.00 25.00 C ATOM 390 O LEU A 28 23.998 36.457 1.270 1.00 25.00 O ATOM 391 CB LEU A 28 24.939 33.723 -0.253 1.00 25.00 C ATOM 392 CG LEU A 28 24.221 32.467 -0.732 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.174 31.338 -0.625 1.00 25.00 C ATOM 394 CD2 LEU A 28 22.984 32.197 0.096 1.00 25.00 C ATOM 0 H LEU A 28 25.173 34.695 -2.462 1.00 25.00 H new ATOM 0 HA LEU A 28 23.173 34.920 -0.520 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.945 33.732 -0.672 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.045 33.673 0.831 1.00 25.00 H new ATOM 0 HG LEU A 28 23.893 32.596 -1.764 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.691 30.421 -0.961 1.00 25.00 H new ATOM 0 HD12 LEU A 28 26.046 31.538 -1.248 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.488 31.224 0.413 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.492 31.295 -0.268 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.267 32.059 1.139 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.300 33.042 0.014 1.00 25.00 H new ATOM 406 N LEU A 29 25.901 36.645 0.118 1.00 25.00 N ATOM 407 CA LEU A 29 26.437 37.709 0.976 1.00 25.00 C ATOM 408 C LEU A 29 25.546 38.944 0.916 1.00 25.00 C ATOM 409 O LEU A 29 25.338 39.626 1.917 1.00 25.00 O ATOM 410 CB LEU A 29 27.857 38.094 0.536 1.00 25.00 C ATOM 411 CG LEU A 29 28.992 37.150 0.966 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.250 37.446 0.151 1.00 25.00 C ATOM 413 CD2 LEU A 29 29.293 37.282 2.459 1.00 25.00 C ATOM 0 H LEU A 29 26.514 36.373 -0.650 1.00 25.00 H new ATOM 0 HA LEU A 29 26.465 37.331 1.998 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.868 38.167 -0.552 1.00 25.00 H new ATOM 0 HB3 LEU A 29 28.076 39.089 0.924 1.00 25.00 H new ATOM 0 HG LEU A 29 28.669 36.126 0.779 1.00 25.00 H new ATOM 0 HD11 LEU A 29 31.050 36.774 0.460 1.00 25.00 H new ATOM 0 HD12 LEU A 29 30.041 37.297 -0.908 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.558 38.478 0.319 1.00 25.00 H new ATOM 0 HD21 LEU A 29 30.100 36.601 2.729 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.593 38.306 2.680 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.401 37.033 3.033 1.00 25.00 H new ATOM 425 N ALA A 30 25.019 39.217 -0.266 1.00 25.00 N ATOM 426 CA ALA A 30 24.157 40.371 -0.483 1.00 25.00 C ATOM 427 C ALA A 30 22.709 40.123 -0.027 1.00 25.00 C ATOM 428 O ALA A 30 21.917 41.063 0.065 1.00 25.00 O ATOM 429 CB ALA A 30 24.179 40.745 -1.973 1.00 25.00 C ATOM 0 H ALA A 30 25.174 38.649 -1.099 1.00 25.00 H new ATOM 0 HA ALA A 30 24.544 41.191 0.122 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.535 41.608 -2.141 1.00 25.00 H new ATOM 0 HB2 ALA A 30 25.198 40.989 -2.272 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.819 39.903 -2.565 1.00 25.00 H new ATOM 435 N ASN A 31 22.346 38.867 0.204 1.00 25.00 N ATOM 436 CA ASN A 31 20.959 38.515 0.510 1.00 25.00 C ATOM 437 C ASN A 31 20.771 38.115 1.976 1.00 25.00 C ATOM 438 O ASN A 31 21.034 36.971 2.357 1.00 25.00 O ATOM 439 CB ASN A 31 20.515 37.370 -0.397 1.00 25.00 C ATOM 440 CG ASN A 31 19.026 37.192 -0.409 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.353 37.332 0.612 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.497 36.875 -1.556 1.00 25.00 N ATOM 0 H ASN A 31 22.989 38.075 0.186 1.00 25.00 H new ATOM 0 HA ASN A 31 20.346 39.399 0.333 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.863 37.559 -1.412 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.986 36.444 -0.065 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.490 36.733 -1.631 1.00 25.00 H new ATOM 0 HD22 ASN A 31 19.090 36.768 -2.379 1.00 25.00 H new ATOM 449 N PRO A 32 20.271 39.036 2.817 1.00 25.00 N ATOM 450 CA PRO A 32 20.157 38.693 4.238 1.00 25.00 C ATOM 451 C PRO A 32 19.162 37.574 4.562 1.00 25.00 C ATOM 452 O PRO A 32 19.301 36.897 5.577 1.00 25.00 O ATOM 453 CB PRO A 32 19.731 40.020 4.873 1.00 25.00 C ATOM 454 CG PRO A 32 19.021 40.735 3.780 1.00 25.00 C ATOM 455 CD PRO A 32 19.822 40.419 2.564 1.00 25.00 C ATOM 0 HA PRO A 32 21.094 38.285 4.616 1.00 25.00 H new ATOM 0 HB2 PRO A 32 19.080 39.860 5.733 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.592 40.587 5.227 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.992 40.391 3.681 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.982 41.809 3.965 1.00 25.00 H new ATOM 0 HD2 PRO A 32 19.223 40.490 1.656 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.663 41.102 2.445 1.00 25.00 H new ATOM 463 N HIS A 33 18.161 37.370 3.718 1.00 25.00 N ATOM 464 CA HIS A 33 17.186 36.306 3.946 1.00 25.00 C ATOM 465 C HIS A 33 17.773 34.941 3.596 1.00 25.00 C ATOM 466 O HIS A 33 17.579 33.957 4.308 1.00 25.00 O ATOM 467 CB HIS A 33 15.938 36.556 3.093 1.00 25.00 C ATOM 468 CG HIS A 33 14.833 35.579 3.348 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.816 35.778 4.247 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.586 34.356 2.797 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.018 34.715 4.213 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.440 33.816 3.348 1.00 25.00 N ATOM 0 H HIS A 33 18.001 37.921 2.875 1.00 25.00 H new ATOM 0 HA HIS A 33 16.920 36.309 5.003 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.572 37.564 3.286 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.214 36.513 2.039 1.00 25.00 H new ATOM 0 HD2 HIS A 33 15.195 33.881 2.043 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.132 34.603 4.820 1.00 25.00 H new ATOM 0 HE2 HIS A 33 13.013 32.915 3.132 1.00 25.00 H new ATOM 480 N GLU A 34 18.477 34.885 2.479 1.00 25.00 N ATOM 481 CA GLU A 34 18.998 33.621 1.969 1.00 25.00 C ATOM 482 C GLU A 34 20.183 33.184 2.814 1.00 25.00 C ATOM 483 O GLU A 34 20.302 32.031 3.191 1.00 25.00 O ATOM 484 CB GLU A 34 19.409 33.788 0.510 1.00 25.00 C ATOM 485 CG GLU A 34 18.481 33.106 -0.491 1.00 25.00 C ATOM 486 CD GLU A 34 18.628 31.585 -0.514 1.00 25.00 C ATOM 487 OE1 GLU A 34 19.656 31.061 -0.034 1.00 25.00 O ATOM 488 OE2 GLU A 34 17.711 30.916 -1.031 1.00 25.00 O ATOM 0 H GLU A 34 18.703 35.698 1.905 1.00 25.00 H new ATOM 0 HA GLU A 34 18.226 32.854 2.026 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.454 34.852 0.278 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.416 33.391 0.382 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.449 33.361 -0.250 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.682 33.498 -1.488 1.00 25.00 H new ATOM 495 N LEU A 35 21.014 34.131 3.204 1.00 25.00 N ATOM 496 CA LEU A 35 22.136 33.826 4.081 1.00 25.00 C ATOM 497 C LEU A 35 21.633 33.289 5.426 1.00 25.00 C ATOM 498 O LEU A 35 22.308 32.502 6.081 1.00 25.00 O ATOM 499 CB LEU A 35 23.034 35.041 4.203 1.00 25.00 C ATOM 500 CG LEU A 35 22.822 36.177 5.203 1.00 25.00 C ATOM 501 CD1 LEU A 35 23.056 35.820 6.661 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.807 37.234 4.770 1.00 25.00 C ATOM 0 H LEU A 35 20.938 35.111 2.932 1.00 25.00 H new ATOM 0 HA LEU A 35 22.745 33.030 3.653 1.00 25.00 H new ATOM 0 HB2 LEU A 35 24.037 34.657 4.390 1.00 25.00 H new ATOM 0 HB3 LEU A 35 23.049 35.506 3.217 1.00 25.00 H new ATOM 0 HG LEU A 35 21.776 36.484 5.183 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.878 36.697 7.283 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.373 35.022 6.954 1.00 25.00 H new ATOM 0 HD13 LEU A 35 24.085 35.484 6.793 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.730 38.096 5.432 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.818 36.830 4.817 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.586 37.541 3.748 1.00 25.00 H new ATOM 514 N SER A 36 20.442 33.724 5.822 1.00 25.00 N ATOM 515 CA SER A 36 19.818 33.308 7.075 1.00 25.00 C ATOM 516 C SER A 36 19.280 31.884 6.981 1.00 25.00 C ATOM 517 O SER A 36 19.470 31.087 7.890 1.00 25.00 O ATOM 518 CB SER A 36 18.683 34.261 7.454 1.00 25.00 C ATOM 519 OG SER A 36 18.200 33.974 8.754 1.00 25.00 O ATOM 0 H SER A 36 19.878 34.379 5.280 1.00 25.00 H new ATOM 0 HA SER A 36 20.586 33.338 7.848 1.00 25.00 H new ATOM 0 HB2 SER A 36 19.037 35.291 7.412 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.871 34.173 6.732 1.00 25.00 H new ATOM 0 HG SER A 36 17.476 34.595 8.978 1.00 25.00 H new ATOM 525 N LEU A 37 18.647 31.531 5.870 1.00 25.00 N ATOM 526 CA LEU A 37 18.164 30.161 5.702 1.00 25.00 C ATOM 527 C LEU A 37 19.324 29.247 5.594 1.00 25.00 C ATOM 528 O LEU A 37 19.274 28.108 6.008 1.00 25.00 O ATOM 529 CB LEU A 37 17.244 30.025 4.503 1.00 25.00 C ATOM 530 CG LEU A 37 17.639 30.043 3.018 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.287 28.758 2.552 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.366 30.292 2.208 1.00 25.00 C ATOM 0 H LEU A 37 18.457 32.156 5.086 1.00 25.00 H new ATOM 0 HA LEU A 37 17.571 29.892 6.576 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.719 29.081 4.649 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.507 30.821 4.614 1.00 25.00 H new ATOM 0 HG LEU A 37 18.382 30.828 2.874 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.540 28.841 1.495 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.194 28.578 3.129 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.595 27.928 2.696 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.609 30.311 1.146 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.649 29.494 2.402 1.00 25.00 H new ATOM 0 HD23 LEU A 37 15.931 31.248 2.498 1.00 25.00 H new ATOM 544 N LEU A 38 20.381 29.758 5.018 1.00 25.00 N ATOM 545 CA LEU A 38 21.570 28.988 4.830 1.00 25.00 C ATOM 546 C LEU A 38 22.212 28.601 6.150 1.00 25.00 C ATOM 547 O LEU A 38 22.544 27.451 6.346 1.00 25.00 O ATOM 548 CB LEU A 38 22.509 29.791 3.971 1.00 25.00 C ATOM 549 CG LEU A 38 23.736 29.002 3.505 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.323 27.900 2.561 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.742 29.910 2.850 1.00 25.00 C ATOM 0 H LEU A 38 20.436 30.715 4.670 1.00 25.00 H new ATOM 0 HA LEU A 38 21.323 28.049 4.336 1.00 25.00 H new ATOM 0 HB2 LEU A 38 21.968 30.155 3.098 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.840 30.667 4.529 1.00 25.00 H new ATOM 0 HG LEU A 38 24.206 28.553 4.380 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.206 27.348 2.238 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.637 27.223 3.070 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.827 28.332 1.692 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.604 29.326 2.528 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.287 30.393 1.985 1.00 25.00 H new ATOM 0 HD23 LEU A 38 25.064 30.670 3.562 1.00 25.00 H new ATOM 563 N LYS A 39 22.326 29.530 7.084 1.00 25.00 N ATOM 564 CA LYS A 39 22.839 29.170 8.421 1.00 25.00 C ATOM 565 C LYS A 39 21.868 28.285 9.193 1.00 25.00 C ATOM 566 O LYS A 39 22.293 27.477 10.005 1.00 25.00 O ATOM 567 CB LYS A 39 23.240 30.403 9.250 1.00 25.00 C ATOM 568 CG LYS A 39 22.217 31.536 9.287 1.00 25.00 C ATOM 569 CD LYS A 39 22.595 32.644 10.259 1.00 25.00 C ATOM 570 CE LYS A 39 23.773 33.464 9.734 1.00 25.00 C ATOM 571 NZ LYS A 39 24.089 34.611 10.646 1.00 25.00 N ATOM 0 H LYS A 39 22.082 30.513 6.962 1.00 25.00 H new ATOM 0 HA LYS A 39 23.745 28.589 8.246 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.437 30.082 10.273 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.176 30.796 8.854 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.112 31.957 8.287 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.244 31.131 9.566 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.738 33.297 10.421 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.852 32.211 11.226 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.649 32.823 9.635 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.541 33.842 8.738 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.893 35.148 10.263 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 23.260 35.234 10.720 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 24.334 34.247 11.589 1.00 25.00 H new ATOM 585 N GLU A 40 20.581 28.404 8.913 1.00 25.00 N ATOM 586 CA GLU A 40 19.575 27.559 9.556 1.00 25.00 C ATOM 587 C GLU A 40 19.597 26.124 9.004 1.00 25.00 C ATOM 588 O GLU A 40 19.557 25.151 9.755 1.00 25.00 O ATOM 589 CB GLU A 40 18.188 28.166 9.325 1.00 25.00 C ATOM 590 CG GLU A 40 17.558 28.796 10.560 1.00 25.00 C ATOM 591 CD GLU A 40 16.767 27.782 11.372 1.00 25.00 C ATOM 592 OE1 GLU A 40 15.550 27.632 11.111 1.00 25.00 O ATOM 593 OE2 GLU A 40 17.368 27.055 12.183 1.00 25.00 O ATOM 0 H GLU A 40 20.203 29.076 8.245 1.00 25.00 H new ATOM 0 HA GLU A 40 19.803 27.513 10.621 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.263 28.924 8.545 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.523 27.388 8.951 1.00 25.00 H new ATOM 0 HG2 GLU A 40 18.339 29.231 11.184 1.00 25.00 H new ATOM 0 HG3 GLU A 40 16.901 29.611 10.257 1.00 25.00 H new ATOM 600 N ARG A 41 19.607 25.989 7.683 1.00 25.00 N ATOM 601 CA ARG A 41 19.525 24.660 7.048 1.00 25.00 C ATOM 602 C ARG A 41 20.856 24.002 6.712 1.00 25.00 C ATOM 603 O ARG A 41 20.962 22.782 6.737 1.00 25.00 O ATOM 604 CB ARG A 41 18.698 24.761 5.766 1.00 25.00 C ATOM 605 CG ARG A 41 17.295 25.355 5.950 1.00 25.00 C ATOM 606 CD ARG A 41 16.298 24.386 6.644 1.00 25.00 C ATOM 607 NE ARG A 41 16.558 24.259 8.093 1.00 25.00 N ATOM 608 CZ ARG A 41 16.080 25.056 9.042 1.00 25.00 C ATOM 609 NH1 ARG A 41 15.252 26.037 8.792 1.00 25.00 N ATOM 610 NH2 ARG A 41 16.463 24.871 10.270 1.00 25.00 N ATOM 0 H ARG A 41 19.670 26.769 7.028 1.00 25.00 H new ATOM 0 HA ARG A 41 19.060 24.021 7.799 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.244 25.370 5.046 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.602 23.765 5.333 1.00 25.00 H new ATOM 0 HG2 ARG A 41 17.370 26.269 6.539 1.00 25.00 H new ATOM 0 HG3 ARG A 41 16.897 25.636 4.975 1.00 25.00 H new ATOM 0 HD2 ARG A 41 15.280 24.743 6.490 1.00 25.00 H new ATOM 0 HD3 ARG A 41 16.365 23.403 6.177 1.00 25.00 H new ATOM 0 HE ARG A 41 17.158 23.490 8.391 1.00 25.00 H new ATOM 0 HH11 ARG A 41 14.947 26.216 7.835 1.00 25.00 H new ATOM 0 HH12 ARG A 41 14.911 26.623 9.554 1.00 25.00 H new ATOM 0 HH21 ARG A 41 17.120 24.123 10.492 1.00 25.00 H new ATOM 0 HH22 ARG A 41 16.106 25.473 11.012 1.00 25.00 H new ATOM 624 N ASN A 42 21.850 24.802 6.374 1.00 25.00 N ATOM 625 CA ASN A 42 23.186 24.291 6.017 1.00 25.00 C ATOM 626 C ASN A 42 24.320 25.014 6.753 1.00 25.00 C ATOM 627 O ASN A 42 25.128 25.716 6.124 1.00 25.00 O ATOM 628 CB ASN A 42 23.422 24.437 4.511 1.00 25.00 C ATOM 629 CG ASN A 42 24.531 23.547 4.013 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.217 22.899 4.778 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.702 23.505 2.729 1.00 25.00 N ATOM 0 H ASN A 42 21.769 25.818 6.335 1.00 25.00 H new ATOM 0 HA ASN A 42 23.200 23.243 6.317 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.502 24.199 3.977 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.663 25.475 4.283 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.432 22.914 2.331 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.107 24.063 2.117 1.00 25.00 H new ATOM 638 N PRO A 43 24.423 24.841 8.082 1.00 25.00 N ATOM 639 CA PRO A 43 25.511 25.569 8.752 1.00 25.00 C ATOM 640 C PRO A 43 26.957 25.360 8.236 1.00 25.00 C ATOM 641 O PRO A 43 27.709 26.331 8.206 1.00 25.00 O ATOM 642 CB PRO A 43 25.354 25.164 10.226 1.00 25.00 C ATOM 643 CG PRO A 43 24.544 23.913 10.212 1.00 25.00 C ATOM 644 CD PRO A 43 23.617 24.064 9.044 1.00 25.00 C ATOM 0 HA PRO A 43 25.402 26.634 8.549 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.325 24.997 10.693 1.00 25.00 H new ATOM 0 HB3 PRO A 43 24.856 25.947 10.797 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.178 23.033 10.101 1.00 25.00 H new ATOM 0 HG3 PRO A 43 23.990 23.791 11.143 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.321 23.098 8.636 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.702 24.587 9.320 1.00 25.00 H new ATOM 652 N PRO A 44 27.360 24.145 7.770 1.00 25.00 N ATOM 653 CA PRO A 44 28.748 24.164 7.282 1.00 25.00 C ATOM 654 C PRO A 44 28.989 24.964 5.984 1.00 25.00 C ATOM 655 O PRO A 44 30.076 25.502 5.792 1.00 25.00 O ATOM 656 CB PRO A 44 29.059 22.679 7.077 1.00 25.00 C ATOM 657 CG PRO A 44 27.769 22.081 6.749 1.00 25.00 C ATOM 658 CD PRO A 44 26.791 22.785 7.654 1.00 25.00 C ATOM 0 HA PRO A 44 29.394 24.678 7.994 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.781 22.531 6.274 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.486 22.235 7.976 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.517 22.230 5.699 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.772 21.006 6.927 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.788 22.803 7.228 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.716 22.295 8.625 1.00 25.00 H new ATOM 666 N LEU A 45 28.004 25.087 5.098 1.00 25.00 N ATOM 667 CA LEU A 45 28.196 25.953 3.929 1.00 25.00 C ATOM 668 C LEU A 45 28.080 27.399 4.382 1.00 25.00 C ATOM 669 O LEU A 45 28.776 28.286 3.891 1.00 25.00 O ATOM 670 CB LEU A 45 27.187 25.654 2.819 1.00 25.00 C ATOM 671 CG LEU A 45 27.304 26.504 1.532 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.703 26.470 0.898 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.290 25.997 0.510 1.00 25.00 C ATOM 0 H LEU A 45 27.099 24.621 5.157 1.00 25.00 H new ATOM 0 HA LEU A 45 29.184 25.764 3.509 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.284 24.604 2.544 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.184 25.786 3.225 1.00 25.00 H new ATOM 0 HG LEU A 45 27.109 27.538 1.818 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.711 27.088 0.000 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.434 26.854 1.609 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.958 25.444 0.634 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.364 26.590 -0.401 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.496 24.952 0.281 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.284 26.087 0.920 1.00 25.00 H new ATOM 685 N ALA A 46 27.205 27.629 5.342 1.00 25.00 N ATOM 686 CA ALA A 46 27.004 28.968 5.863 1.00 25.00 C ATOM 687 C ALA A 46 28.252 29.538 6.524 1.00 25.00 C ATOM 688 O ALA A 46 28.600 30.664 6.252 1.00 25.00 O ATOM 689 CB ALA A 46 25.872 28.979 6.832 1.00 25.00 C ATOM 0 H ALA A 46 26.625 26.911 5.775 1.00 25.00 H new ATOM 0 HA ALA A 46 26.771 29.605 5.010 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.731 29.989 7.216 1.00 25.00 H new ATOM 0 HB2 ALA A 46 24.961 28.651 6.331 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.094 28.305 7.659 1.00 25.00 H new ATOM 695 N GLU A 47 28.912 28.789 7.398 1.00 25.00 N ATOM 696 CA GLU A 47 30.078 29.319 8.121 1.00 25.00 C ATOM 697 C GLU A 47 31.181 29.722 7.142 1.00 25.00 C ATOM 698 O GLU A 47 31.909 30.690 7.368 1.00 25.00 O ATOM 699 CB GLU A 47 30.606 28.310 9.156 1.00 25.00 C ATOM 700 CG GLU A 47 31.209 27.048 8.563 1.00 25.00 C ATOM 701 CD GLU A 47 31.747 26.110 9.620 1.00 25.00 C ATOM 702 OE1 GLU A 47 30.953 25.355 10.218 1.00 25.00 O ATOM 703 OE2 GLU A 47 32.980 26.120 9.840 1.00 25.00 O ATOM 0 H GLU A 47 28.670 27.825 7.627 1.00 25.00 H new ATOM 0 HA GLU A 47 29.757 30.208 8.664 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.360 28.802 9.771 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.788 28.028 9.819 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.452 26.530 7.974 1.00 25.00 H new ATOM 0 HG3 GLU A 47 32.014 27.320 7.880 1.00 25.00 H new ATOM 710 N ALA A 48 31.257 29.015 6.027 1.00 25.00 N ATOM 711 CA ALA A 48 32.202 29.333 4.987 1.00 25.00 C ATOM 712 C ALA A 48 31.873 30.680 4.339 1.00 25.00 C ATOM 713 O ALA A 48 32.765 31.470 4.040 1.00 25.00 O ATOM 714 CB ALA A 48 32.177 28.226 3.965 1.00 25.00 C ATOM 0 H ALA A 48 30.665 28.209 5.824 1.00 25.00 H new ATOM 0 HA ALA A 48 33.201 29.418 5.415 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.887 28.450 3.169 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.451 27.285 4.441 1.00 25.00 H new ATOM 0 HB3 ALA A 48 31.175 28.142 3.544 1.00 25.00 H new ATOM 720 N LEU A 49 30.587 30.943 4.169 1.00 25.00 N ATOM 721 CA LEU A 49 30.114 32.200 3.598 1.00 25.00 C ATOM 722 C LEU A 49 30.411 33.354 4.546 1.00 25.00 C ATOM 723 O LEU A 49 30.851 34.416 4.120 1.00 25.00 O ATOM 724 CB LEU A 49 28.600 32.133 3.373 1.00 25.00 C ATOM 725 CG LEU A 49 27.986 33.375 2.720 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.174 33.309 1.225 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.516 33.475 3.085 1.00 25.00 C ATOM 0 H LEU A 49 29.841 30.295 4.421 1.00 25.00 H new ATOM 0 HA LEU A 49 30.627 32.361 2.650 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.379 31.267 2.750 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.112 31.968 4.334 1.00 25.00 H new ATOM 0 HG LEU A 49 28.488 34.270 3.088 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.736 34.194 0.764 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.238 33.268 0.994 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.684 32.417 0.836 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.085 34.360 2.618 1.00 25.00 H new ATOM 0 HD22 LEU A 49 25.992 32.587 2.732 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.414 33.550 4.168 1.00 25.00 H new ATOM 739 N LEU A 50 30.172 33.137 5.835 1.00 25.00 N ATOM 740 CA LEU A 50 30.341 34.193 6.845 1.00 25.00 C ATOM 741 C LEU A 50 31.791 34.628 6.904 1.00 25.00 C ATOM 742 O LEU A 50 32.112 35.755 7.260 1.00 25.00 O ATOM 743 CB LEU A 50 29.944 33.699 8.247 1.00 25.00 C ATOM 744 CG LEU A 50 28.606 32.974 8.454 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.320 32.824 9.932 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.430 33.622 7.732 1.00 25.00 C ATOM 0 H LEU A 50 29.860 32.242 6.212 1.00 25.00 H new ATOM 0 HA LEU A 50 29.696 35.023 6.554 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.732 33.029 8.590 1.00 25.00 H new ATOM 0 HB3 LEU A 50 29.950 34.564 8.910 1.00 25.00 H new ATOM 0 HG LEU A 50 28.716 31.990 7.999 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.369 32.309 10.068 1.00 25.00 H new ATOM 0 HD12 LEU A 50 29.117 32.245 10.400 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.268 33.810 10.394 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.523 33.051 7.928 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.301 34.643 8.091 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.625 33.636 6.660 1.00 25.00 H new ATOM 758 N SER A 51 32.664 33.693 6.576 1.00 25.00 N ATOM 759 CA SER A 51 34.096 33.910 6.618 1.00 25.00 C ATOM 760 C SER A 51 34.609 34.672 5.395 1.00 25.00 C ATOM 761 O SER A 51 35.742 35.139 5.394 1.00 25.00 O ATOM 762 CB SER A 51 34.768 32.553 6.680 1.00 25.00 C ATOM 763 OG SER A 51 36.134 32.649 7.054 1.00 25.00 O ATOM 0 H SER A 51 32.397 32.757 6.271 1.00 25.00 H new ATOM 0 HA SER A 51 34.329 34.517 7.493 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.241 31.920 7.394 1.00 25.00 H new ATOM 0 HB3 SER A 51 34.692 32.067 5.707 1.00 25.00 H new ATOM 0 HG SER A 51 36.558 33.381 6.559 1.00 25.00 H new ATOM 769 N GLY A 52 33.797 34.763 4.348 1.00 25.00 N ATOM 770 CA GLY A 52 34.169 35.503 3.145 1.00 25.00 C ATOM 771 C GLY A 52 35.018 34.720 2.156 1.00 25.00 C ATOM 772 O GLY A 52 34.945 34.948 0.943 1.00 25.00 O ATOM 0 H GLY A 52 32.873 34.332 4.307 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.260 35.833 2.642 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.713 36.400 3.440 1.00 25.00 H new ATOM 776 N ASP A 53 35.820 33.803 2.679 1.00 25.00 N ATOM 777 CA ASP A 53 36.724 32.979 1.871 1.00 25.00 C ATOM 778 C ASP A 53 35.987 32.180 0.808 1.00 25.00 C ATOM 779 O ASP A 53 35.286 31.212 1.107 1.00 25.00 O ATOM 780 CB ASP A 53 37.529 32.044 2.763 1.00 25.00 C ATOM 781 CG ASP A 53 38.992 32.368 2.763 1.00 25.00 C ATOM 782 OD1 ASP A 53 39.552 32.551 1.666 1.00 25.00 O ATOM 783 OD2 ASP A 53 39.595 32.384 3.854 1.00 25.00 O ATOM 0 H ASP A 53 35.866 33.605 3.679 1.00 25.00 H new ATOM 0 HA ASP A 53 37.400 33.661 1.354 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.147 32.102 3.782 1.00 25.00 H new ATOM 0 HB3 ASP A 53 37.388 31.016 2.428 1.00 25.00 H new ATOM 788 N LEU A 54 36.175 32.565 -0.448 1.00 25.00 N ATOM 789 CA LEU A 54 35.584 31.821 -1.554 1.00 25.00 C ATOM 790 C LEU A 54 36.195 30.432 -1.522 1.00 25.00 C ATOM 791 O LEU A 54 35.536 29.461 -1.803 1.00 25.00 O ATOM 792 CB LEU A 54 35.877 32.494 -2.901 1.00 25.00 C ATOM 793 CG LEU A 54 35.297 31.846 -4.185 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.243 30.802 -4.790 1.00 25.00 C ATOM 795 CD2 LEU A 54 33.888 31.231 -4.011 1.00 25.00 C ATOM 0 H LEU A 54 36.725 33.378 -0.725 1.00 25.00 H new ATOM 0 HA LEU A 54 34.500 31.784 -1.447 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.508 33.518 -2.849 1.00 25.00 H new ATOM 0 HB3 LEU A 54 36.959 32.551 -3.016 1.00 25.00 H new ATOM 0 HG LEU A 54 35.195 32.683 -4.876 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.791 30.378 -5.687 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.189 31.276 -5.050 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.422 30.009 -4.064 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.560 30.800 -4.957 1.00 25.00 H new ATOM 0 HD22 LEU A 54 33.923 30.451 -3.250 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.188 32.007 -3.703 1.00 25.00 H new ATOM 807 N GLU A 55 37.451 30.344 -1.123 1.00 25.00 N ATOM 808 CA GLU A 55 38.142 29.059 -1.035 1.00 25.00 C ATOM 809 C GLU A 55 37.366 28.056 -0.190 1.00 25.00 C ATOM 810 O GLU A 55 37.056 26.952 -0.639 1.00 25.00 O ATOM 811 CB GLU A 55 39.521 29.253 -0.402 1.00 25.00 C ATOM 812 CG GLU A 55 40.460 30.128 -1.198 1.00 25.00 C ATOM 813 CD GLU A 55 41.081 29.389 -2.378 1.00 25.00 C ATOM 814 OE1 GLU A 55 42.296 29.108 -2.337 1.00 25.00 O ATOM 815 OE2 GLU A 55 40.344 29.079 -3.343 1.00 25.00 O ATOM 0 H GLU A 55 38.019 31.147 -0.853 1.00 25.00 H new ATOM 0 HA GLU A 55 38.232 28.671 -2.049 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.393 29.687 0.590 1.00 25.00 H new ATOM 0 HB3 GLU A 55 39.984 28.276 -0.265 1.00 25.00 H new ATOM 0 HG2 GLU A 55 39.918 31.000 -1.563 1.00 25.00 H new ATOM 0 HG3 GLU A 55 41.252 30.495 -0.545 1.00 25.00 H new ATOM 822 N LYS A 56 37.033 28.438 1.035 1.00 25.00 N ATOM 823 CA LYS A 56 36.330 27.527 1.929 1.00 25.00 C ATOM 824 C LYS A 56 34.893 27.375 1.495 1.00 25.00 C ATOM 825 O LYS A 56 34.344 26.291 1.606 1.00 25.00 O ATOM 826 CB LYS A 56 36.463 27.961 3.400 1.00 25.00 C ATOM 827 CG LYS A 56 35.765 29.188 3.830 1.00 25.00 C ATOM 828 CD LYS A 56 36.378 29.705 5.130 1.00 25.00 C ATOM 829 CE LYS A 56 35.945 28.905 6.362 1.00 25.00 C ATOM 830 NZ LYS A 56 36.452 29.560 7.619 1.00 25.00 N ATOM 0 H LYS A 56 37.234 29.357 1.429 1.00 25.00 H new ATOM 0 HA LYS A 56 36.797 26.545 1.863 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.108 27.140 4.023 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.524 28.089 3.615 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.839 29.950 3.054 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.704 28.982 3.974 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.465 29.675 5.049 1.00 25.00 H new ATOM 0 HD3 LYS A 56 36.097 30.749 5.266 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.858 28.835 6.394 1.00 25.00 H new ATOM 0 HE3 LYS A 56 36.328 27.887 6.295 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.862 29.269 8.424 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 37.436 29.271 7.788 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 36.408 30.594 7.514 1.00 25.00 H new ATOM 844 N PHE A 57 34.310 28.429 0.940 1.00 25.00 N ATOM 845 CA PHE A 57 32.940 28.369 0.436 1.00 25.00 C ATOM 846 C PHE A 57 32.833 27.371 -0.703 1.00 25.00 C ATOM 847 O PHE A 57 32.003 26.487 -0.661 1.00 25.00 O ATOM 848 CB PHE A 57 32.466 29.752 -0.022 1.00 25.00 C ATOM 849 CG PHE A 57 31.060 29.757 -0.557 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.820 29.566 -1.933 1.00 25.00 C ATOM 851 CD2 PHE A 57 29.964 29.936 0.308 1.00 25.00 C ATOM 852 CE1 PHE A 57 29.501 29.559 -2.443 1.00 25.00 C ATOM 853 CE2 PHE A 57 28.638 29.929 -0.197 1.00 25.00 C ATOM 854 CZ PHE A 57 28.411 29.738 -1.578 1.00 25.00 C ATOM 0 H PHE A 57 34.762 29.336 0.826 1.00 25.00 H new ATOM 0 HA PHE A 57 32.295 28.038 1.250 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.530 30.445 0.817 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.141 30.122 -0.794 1.00 25.00 H new ATOM 0 HD1 PHE A 57 31.653 29.423 -2.605 1.00 25.00 H new ATOM 0 HD2 PHE A 57 30.134 30.080 1.365 1.00 25.00 H new ATOM 0 HE1 PHE A 57 29.332 29.416 -3.500 1.00 25.00 H new ATOM 0 HE2 PHE A 57 27.803 30.070 0.474 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.403 29.730 -1.966 1.00 25.00 H new ATOM 864 N SER A 58 33.691 27.489 -1.702 1.00 25.00 N ATOM 865 CA SER A 58 33.664 26.603 -2.855 1.00 25.00 C ATOM 866 C SER A 58 33.996 25.184 -2.430 1.00 25.00 C ATOM 867 O SER A 58 33.363 24.236 -2.863 1.00 25.00 O ATOM 868 CB SER A 58 34.676 27.077 -3.902 1.00 25.00 C ATOM 869 OG SER A 58 34.594 26.295 -5.078 1.00 25.00 O ATOM 0 H SER A 58 34.423 28.198 -1.738 1.00 25.00 H new ATOM 0 HA SER A 58 32.664 26.621 -3.288 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.491 28.124 -4.144 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.684 27.018 -3.491 1.00 25.00 H new ATOM 0 HG SER A 58 35.249 26.618 -5.732 1.00 25.00 H new ATOM 875 N ARG A 59 34.964 25.030 -1.540 1.00 25.00 N ATOM 876 CA ARG A 59 35.356 23.694 -1.103 1.00 25.00 C ATOM 877 C ARG A 59 34.214 22.992 -0.387 1.00 25.00 C ATOM 878 O ARG A 59 33.887 21.858 -0.716 1.00 25.00 O ATOM 879 CB ARG A 59 36.591 23.771 -0.203 1.00 25.00 C ATOM 880 CG ARG A 59 37.128 22.394 0.215 1.00 25.00 C ATOM 881 CD ARG A 59 36.758 22.033 1.652 1.00 25.00 C ATOM 882 NE ARG A 59 36.832 20.575 1.867 1.00 25.00 N ATOM 883 CZ ARG A 59 37.297 19.968 2.953 1.00 25.00 C ATOM 884 NH1 ARG A 59 37.773 20.624 3.985 1.00 25.00 N ATOM 885 NH2 ARG A 59 37.272 18.669 2.995 1.00 25.00 N ATOM 0 H ARG A 59 35.485 25.795 -1.112 1.00 25.00 H new ATOM 0 HA ARG A 59 35.604 23.107 -1.988 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.378 24.317 -0.724 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.345 24.343 0.691 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.734 21.634 -0.460 1.00 25.00 H new ATOM 0 HG3 ARG A 59 38.213 22.383 0.109 1.00 25.00 H new ATOM 0 HD2 ARG A 59 37.431 22.541 2.343 1.00 25.00 H new ATOM 0 HD3 ARG A 59 35.750 22.386 1.871 1.00 25.00 H new ATOM 0 HE ARG A 59 36.495 19.978 1.112 1.00 25.00 H new ATOM 0 HH11 ARG A 59 37.797 21.644 3.974 1.00 25.00 H new ATOM 0 HH12 ARG A 59 38.119 20.114 4.798 1.00 25.00 H new ATOM 0 HH21 ARG A 59 36.901 18.140 2.205 1.00 25.00 H new ATOM 0 HH22 ARG A 59 37.623 18.178 3.817 1.00 25.00 H new ATOM 899 N VAL A 60 33.594 23.651 0.579 1.00 25.00 N ATOM 900 CA VAL A 60 32.511 23.031 1.335 1.00 25.00 C ATOM 901 C VAL A 60 31.298 22.842 0.420 1.00 25.00 C ATOM 902 O VAL A 60 30.532 21.903 0.584 1.00 25.00 O ATOM 903 CB VAL A 60 32.160 23.821 2.641 1.00 25.00 C ATOM 904 CG1 VAL A 60 31.458 25.075 2.354 1.00 25.00 C ATOM 905 CG2 VAL A 60 31.335 22.945 3.589 1.00 25.00 C ATOM 0 H VAL A 60 33.817 24.606 0.858 1.00 25.00 H new ATOM 0 HA VAL A 60 32.844 22.051 1.678 1.00 25.00 H new ATOM 0 HB VAL A 60 33.100 24.082 3.128 1.00 25.00 H new ATOM 0 HG11 VAL A 60 31.235 25.589 3.289 1.00 25.00 H new ATOM 0 HG12 VAL A 60 32.088 25.711 1.732 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.528 24.859 1.828 1.00 25.00 H new ATOM 0 HG21 VAL A 60 31.099 23.508 4.492 1.00 25.00 H new ATOM 0 HG22 VAL A 60 30.410 22.646 3.096 1.00 25.00 H new ATOM 0 HG23 VAL A 60 31.908 22.057 3.855 1.00 25.00 H new ATOM 915 N LEU A 61 31.144 23.707 -0.571 1.00 25.00 N ATOM 916 CA LEU A 61 30.067 23.575 -1.546 1.00 25.00 C ATOM 917 C LEU A 61 30.205 22.244 -2.275 1.00 25.00 C ATOM 918 O LEU A 61 29.219 21.553 -2.475 1.00 25.00 O ATOM 919 CB LEU A 61 30.136 24.729 -2.543 1.00 25.00 C ATOM 920 CG LEU A 61 28.961 25.009 -3.481 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.177 26.191 -2.976 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.498 25.352 -4.845 1.00 25.00 C ATOM 0 H LEU A 61 31.753 24.511 -0.723 1.00 25.00 H new ATOM 0 HA LEU A 61 29.104 23.605 -1.036 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.317 25.639 -1.971 1.00 25.00 H new ATOM 0 HB3 LEU A 61 31.015 24.565 -3.167 1.00 25.00 H new ATOM 0 HG LEU A 61 28.320 24.129 -3.526 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.341 26.387 -3.647 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.798 25.976 -1.977 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.824 27.067 -2.937 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.668 25.554 -5.523 1.00 25.00 H new ATOM 0 HD22 LEU A 61 30.132 26.236 -4.775 1.00 25.00 H new ATOM 0 HD23 LEU A 61 30.083 24.515 -5.227 1.00 25.00 H new ATOM 934 N VAL A 62 31.426 21.862 -2.632 1.00 25.00 N ATOM 935 CA VAL A 62 31.675 20.579 -3.307 1.00 25.00 C ATOM 936 C VAL A 62 31.480 19.421 -2.350 1.00 25.00 C ATOM 937 O VAL A 62 30.917 18.397 -2.720 1.00 25.00 O ATOM 938 CB VAL A 62 33.096 20.517 -3.917 1.00 25.00 C ATOM 939 CG1 VAL A 62 33.355 19.156 -4.591 1.00 25.00 C ATOM 940 CG2 VAL A 62 33.239 21.612 -4.942 1.00 25.00 C ATOM 0 H VAL A 62 32.265 22.419 -2.468 1.00 25.00 H new ATOM 0 HA VAL A 62 30.952 20.500 -4.119 1.00 25.00 H new ATOM 0 HB VAL A 62 33.822 20.646 -3.115 1.00 25.00 H new ATOM 0 HG11 VAL A 62 34.361 19.143 -5.010 1.00 25.00 H new ATOM 0 HG12 VAL A 62 33.259 18.360 -3.852 1.00 25.00 H new ATOM 0 HG13 VAL A 62 32.628 19.001 -5.388 1.00 25.00 H new ATOM 0 HG21 VAL A 62 34.238 21.575 -5.377 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.496 21.474 -5.728 1.00 25.00 H new ATOM 0 HG23 VAL A 62 33.087 22.580 -4.464 1.00 25.00 H new ATOM 950 N GLU A 63 31.872 19.599 -1.099 1.00 25.00 N ATOM 951 CA GLU A 63 31.612 18.569 -0.080 1.00 25.00 C ATOM 952 C GLU A 63 30.097 18.321 -0.008 1.00 25.00 C ATOM 953 O GLU A 63 29.633 17.179 0.037 1.00 25.00 O ATOM 954 CB GLU A 63 32.128 18.987 1.309 1.00 25.00 C ATOM 955 CG GLU A 63 33.638 19.200 1.421 1.00 25.00 C ATOM 956 CD GLU A 63 34.469 17.982 1.049 1.00 25.00 C ATOM 957 OE1 GLU A 63 33.993 16.839 1.182 1.00 25.00 O ATOM 958 OE2 GLU A 63 35.649 18.185 0.671 1.00 25.00 O ATOM 0 H GLU A 63 32.363 20.426 -0.759 1.00 25.00 H new ATOM 0 HA GLU A 63 32.143 17.662 -0.368 1.00 25.00 H new ATOM 0 HB2 GLU A 63 31.627 19.911 1.599 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.833 18.225 2.030 1.00 25.00 H new ATOM 0 HG2 GLU A 63 33.925 20.032 0.778 1.00 25.00 H new ATOM 0 HG3 GLU A 63 33.878 19.491 2.444 1.00 25.00 H new