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 83:sc= 1.88 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -168:sc= 0.687 (180deg=0) USER MOD Single : A 27 MET CE :methyl -176:sc= 0 (180deg=-0.00525) USER MOD Single : A 31 ASN : amide:sc= -0.63 K(o=-0.63,f=-6.4!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 108:sc= 1.21 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0972 K(o=-0.097,f=-4.4!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0123 USER MOD ----------------------------------------------------------------- ATOM 272 N PRO A 21 30.856 29.202 -7.684 1.00 25.00 N ATOM 273 CA PRO A 21 30.666 29.535 -6.272 1.00 25.00 C ATOM 274 C PRO A 21 30.968 30.993 -5.995 1.00 25.00 C ATOM 275 O PRO A 21 30.477 31.548 -5.039 1.00 25.00 O ATOM 276 CB PRO A 21 31.674 28.621 -5.565 1.00 25.00 C ATOM 277 CG PRO A 21 32.697 28.382 -6.565 1.00 25.00 C ATOM 278 CD PRO A 21 31.993 28.282 -7.860 1.00 25.00 C ATOM 0 HA PRO A 21 29.639 29.390 -5.938 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.089 29.097 -4.676 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.209 27.690 -5.240 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.424 29.194 -6.579 1.00 25.00 H new ATOM 0 HG3 PRO A 21 33.246 27.466 -6.349 1.00 25.00 H new ATOM 0 HD2 PRO A 21 32.631 28.581 -8.692 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.662 27.264 -8.063 1.00 25.00 H new ATOM 286 N ALA A 22 31.766 31.611 -6.854 1.00 25.00 N ATOM 287 CA ALA A 22 32.103 33.023 -6.731 1.00 25.00 C ATOM 288 C ALA A 22 30.839 33.887 -6.769 1.00 25.00 C ATOM 289 O ALA A 22 30.669 34.814 -5.976 1.00 25.00 O ATOM 290 CB ALA A 22 33.041 33.412 -7.880 1.00 25.00 C ATOM 0 H ALA A 22 32.198 31.149 -7.655 1.00 25.00 H new ATOM 0 HA ALA A 22 32.598 33.192 -5.775 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.299 34.468 -7.797 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.949 32.811 -7.828 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.542 33.234 -8.833 1.00 25.00 H new ATOM 296 N LEU A 23 29.973 33.566 -7.717 1.00 25.00 N ATOM 297 CA LEU A 23 28.737 34.298 -7.955 1.00 25.00 C ATOM 298 C LEU A 23 27.725 33.993 -6.866 1.00 25.00 C ATOM 299 O LEU A 23 27.033 34.875 -6.381 1.00 25.00 O ATOM 300 CB LEU A 23 28.145 33.872 -9.308 1.00 25.00 C ATOM 301 CG LEU A 23 28.705 34.478 -10.615 1.00 25.00 C ATOM 302 CD1 LEU A 23 28.256 35.910 -10.723 1.00 25.00 C ATOM 303 CD2 LEU A 23 30.239 34.424 -10.755 1.00 25.00 C ATOM 0 H LEU A 23 30.110 32.779 -8.352 1.00 25.00 H new ATOM 0 HA LEU A 23 28.958 35.365 -7.956 1.00 25.00 H new ATOM 0 HB2 LEU A 23 28.247 32.789 -9.381 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.077 34.090 -9.279 1.00 25.00 H new ATOM 0 HG LEU A 23 28.310 33.859 -11.421 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.647 36.345 -11.643 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.167 35.950 -10.737 1.00 25.00 H new ATOM 0 HD13 LEU A 23 28.629 36.474 -9.868 1.00 25.00 H new ATOM 0 HD21 LEU A 23 30.534 34.873 -11.704 1.00 25.00 H new ATOM 0 HD22 LEU A 23 30.699 34.975 -9.934 1.00 25.00 H new ATOM 0 HD23 LEU A 23 30.571 33.386 -10.726 1.00 25.00 H new ATOM 315 N LEU A 24 27.633 32.727 -6.490 1.00 25.00 N ATOM 316 CA LEU A 24 26.669 32.316 -5.477 1.00 25.00 C ATOM 317 C LEU A 24 27.034 32.905 -4.116 1.00 25.00 C ATOM 318 O LEU A 24 26.166 33.361 -3.383 1.00 25.00 O ATOM 319 CB LEU A 24 26.614 30.790 -5.405 1.00 25.00 C ATOM 320 CG LEU A 24 25.564 30.155 -4.479 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.180 30.814 -4.558 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.434 28.679 -4.857 1.00 25.00 C ATOM 0 H LEU A 24 28.207 31.972 -6.865 1.00 25.00 H new ATOM 0 HA LEU A 24 25.684 32.693 -5.754 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.444 30.413 -6.413 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.596 30.434 -5.093 1.00 25.00 H new ATOM 0 HG LEU A 24 25.909 30.295 -3.455 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.497 30.309 -3.875 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.261 31.865 -4.279 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.798 30.738 -5.576 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.694 28.203 -4.214 1.00 25.00 H new ATOM 0 HD22 LEU A 24 25.119 28.596 -5.897 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.397 28.185 -4.730 1.00 25.00 H new ATOM 334 N ARG A 25 28.326 32.949 -3.816 1.00 25.00 N ATOM 335 CA ARG A 25 28.824 33.572 -2.593 1.00 25.00 C ATOM 336 C ARG A 25 28.386 35.025 -2.555 1.00 25.00 C ATOM 337 O ARG A 25 27.940 35.517 -1.529 1.00 25.00 O ATOM 338 CB ARG A 25 30.360 33.465 -2.576 1.00 25.00 C ATOM 339 CG ARG A 25 31.077 34.148 -1.402 1.00 25.00 C ATOM 340 CD ARG A 25 31.507 35.582 -1.728 1.00 25.00 C ATOM 341 NE ARG A 25 32.427 35.665 -2.873 1.00 25.00 N ATOM 342 CZ ARG A 25 33.749 35.813 -2.799 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.397 35.881 -1.658 1.00 25.00 N ATOM 344 NH2 ARG A 25 34.433 35.903 -3.903 1.00 25.00 N ATOM 0 H ARG A 25 29.056 32.556 -4.410 1.00 25.00 H new ATOM 0 HA ARG A 25 28.421 33.067 -1.715 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.629 32.409 -2.573 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.743 33.889 -3.504 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.417 34.159 -0.535 1.00 25.00 H new ATOM 0 HG3 ARG A 25 31.955 33.563 -1.127 1.00 25.00 H new ATOM 0 HD2 ARG A 25 30.621 36.181 -1.938 1.00 25.00 H new ATOM 0 HD3 ARG A 25 31.987 36.019 -0.852 1.00 25.00 H new ATOM 0 HE ARG A 25 32.017 35.604 -3.805 1.00 25.00 H new ATOM 0 HH11 ARG A 25 33.886 35.820 -0.777 1.00 25.00 H new ATOM 0 HH12 ARG A 25 35.411 35.995 -1.653 1.00 25.00 H new ATOM 0 HH21 ARG A 25 33.956 35.860 -4.804 1.00 25.00 H new ATOM 0 HH22 ARG A 25 35.446 36.017 -3.867 1.00 25.00 H new ATOM 358 N ASP A 26 28.530 35.705 -3.680 1.00 25.00 N ATOM 359 CA ASP A 26 28.214 37.127 -3.761 1.00 25.00 C ATOM 360 C ASP A 26 26.712 37.363 -3.563 1.00 25.00 C ATOM 361 O ASP A 26 26.306 38.187 -2.749 1.00 25.00 O ATOM 362 CB ASP A 26 28.665 37.667 -5.113 1.00 25.00 C ATOM 363 CG ASP A 26 28.781 39.177 -5.126 1.00 25.00 C ATOM 364 OD1 ASP A 26 27.768 39.863 -5.343 1.00 25.00 O ATOM 365 OD2 ASP A 26 29.916 39.667 -4.950 1.00 25.00 O ATOM 0 H ASP A 26 28.864 35.297 -4.553 1.00 25.00 H new ATOM 0 HA ASP A 26 28.742 37.654 -2.967 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.629 37.230 -5.372 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.957 37.354 -5.880 1.00 25.00 H new ATOM 370 N MET A 27 25.892 36.576 -4.254 1.00 25.00 N ATOM 371 CA MET A 27 24.431 36.671 -4.133 1.00 25.00 C ATOM 372 C MET A 27 23.982 36.395 -2.714 1.00 25.00 C ATOM 373 O MET A 27 23.105 37.070 -2.198 1.00 25.00 O ATOM 374 CB MET A 27 23.764 35.661 -5.067 1.00 25.00 C ATOM 375 CG MET A 27 22.260 35.835 -5.158 1.00 25.00 C ATOM 376 SD MET A 27 21.472 34.613 -6.226 1.00 25.00 S ATOM 377 CE MET A 27 21.261 33.231 -5.079 1.00 25.00 C ATOM 0 H MET A 27 26.211 35.861 -4.908 1.00 25.00 H new ATOM 0 HA MET A 27 24.139 37.685 -4.406 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.195 35.757 -6.063 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.986 34.652 -4.719 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.831 35.766 -4.158 1.00 25.00 H new ATOM 0 HG3 MET A 27 22.037 36.834 -5.533 1.00 25.00 H new ATOM 0 HE1 MET A 27 20.850 32.374 -5.613 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.227 32.963 -4.651 1.00 25.00 H new ATOM 0 HE3 MET A 27 20.578 33.522 -4.281 1.00 25.00 H new ATOM 387 N LEU A 28 24.572 35.386 -2.093 1.00 25.00 N ATOM 388 CA LEU A 28 24.194 35.008 -0.740 1.00 25.00 C ATOM 389 C LEU A 28 24.528 36.091 0.265 1.00 25.00 C ATOM 390 O LEU A 28 23.717 36.418 1.118 1.00 25.00 O ATOM 391 CB LEU A 28 24.904 33.730 -0.345 1.00 25.00 C ATOM 392 CG LEU A 28 24.179 32.454 -0.772 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.146 31.307 -0.691 1.00 25.00 C ATOM 394 CD2 LEU A 28 22.972 32.202 0.120 1.00 25.00 C ATOM 0 H LEU A 28 25.312 34.816 -2.502 1.00 25.00 H new ATOM 0 HA LEU A 28 23.114 34.859 -0.733 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.902 33.732 -0.783 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.031 33.718 0.737 1.00 25.00 H new ATOM 0 HG LEU A 28 23.818 32.559 -1.795 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.645 30.387 -0.993 1.00 25.00 H new ATOM 0 HD12 LEU A 28 25.990 31.495 -1.355 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.505 31.206 0.333 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.468 31.290 -0.199 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.300 32.093 1.154 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.282 33.043 0.045 1.00 25.00 H new ATOM 406 N LEU A 29 25.714 36.677 0.153 1.00 25.00 N ATOM 407 CA LEU A 29 26.123 37.746 1.075 1.00 25.00 C ATOM 408 C LEU A 29 25.212 38.949 0.926 1.00 25.00 C ATOM 409 O LEU A 29 24.883 39.611 1.904 1.00 25.00 O ATOM 410 CB LEU A 29 27.559 38.177 0.786 1.00 25.00 C ATOM 411 CG LEU A 29 28.666 37.224 1.251 1.00 25.00 C ATOM 412 CD1 LEU A 29 29.983 37.694 0.662 1.00 25.00 C ATOM 413 CD2 LEU A 29 28.771 37.153 2.773 1.00 25.00 C ATOM 0 H LEU A 29 26.407 36.438 -0.556 1.00 25.00 H new ATOM 0 HA LEU A 29 26.055 37.359 2.092 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.662 38.321 -0.290 1.00 25.00 H new ATOM 0 HB3 LEU A 29 27.725 39.147 1.255 1.00 25.00 H new ATOM 0 HG LEU A 29 28.422 36.220 0.905 1.00 25.00 H new ATOM 0 HD11 LEU A 29 30.783 37.027 0.982 1.00 25.00 H new ATOM 0 HD12 LEU A 29 29.918 37.687 -0.426 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.195 38.706 1.006 1.00 25.00 H new ATOM 0 HD21 LEU A 29 29.569 36.465 3.051 1.00 25.00 H new ATOM 0 HD22 LEU A 29 28.992 38.144 3.169 1.00 25.00 H new ATOM 0 HD23 LEU A 29 27.827 36.799 3.187 1.00 25.00 H new ATOM 425 N ALA A 30 24.789 39.208 -0.299 1.00 25.00 N ATOM 426 CA ALA A 30 23.912 40.335 -0.590 1.00 25.00 C ATOM 427 C ALA A 30 22.463 40.048 -0.170 1.00 25.00 C ATOM 428 O ALA A 30 21.645 40.967 -0.104 1.00 25.00 O ATOM 429 CB ALA A 30 23.968 40.647 -2.097 1.00 25.00 C ATOM 0 H ALA A 30 25.039 38.650 -1.115 1.00 25.00 H new ATOM 0 HA ALA A 30 24.259 41.195 -0.016 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.313 41.490 -2.319 1.00 25.00 H new ATOM 0 HB2 ALA A 30 24.991 40.898 -2.379 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.640 39.774 -2.662 1.00 25.00 H new ATOM 435 N ASN A 31 22.122 38.783 0.074 1.00 25.00 N ATOM 436 CA ASN A 31 20.744 38.407 0.373 1.00 25.00 C ATOM 437 C ASN A 31 20.550 37.997 1.831 1.00 25.00 C ATOM 438 O ASN A 31 20.868 36.868 2.219 1.00 25.00 O ATOM 439 CB ASN A 31 20.335 37.248 -0.517 1.00 25.00 C ATOM 440 CG ASN A 31 18.855 37.054 -0.556 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.175 37.064 0.480 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.333 36.907 -1.741 1.00 25.00 N ATOM 0 H ASN A 31 22.781 38.004 0.070 1.00 25.00 H new ATOM 0 HA ASN A 31 20.124 39.284 0.188 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.702 37.423 -1.528 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.809 36.334 -0.159 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.325 36.794 -1.844 1.00 25.00 H new ATOM 0 HD22 ASN A 31 18.933 36.905 -2.566 1.00 25.00 H new ATOM 449 N PRO A 32 19.979 38.889 2.659 1.00 25.00 N ATOM 450 CA PRO A 32 19.878 38.534 4.075 1.00 25.00 C ATOM 451 C PRO A 32 18.948 37.362 4.409 1.00 25.00 C ATOM 452 O PRO A 32 19.138 36.702 5.421 1.00 25.00 O ATOM 453 CB PRO A 32 19.375 39.834 4.714 1.00 25.00 C ATOM 454 CG PRO A 32 18.631 40.506 3.619 1.00 25.00 C ATOM 455 CD PRO A 32 19.456 40.245 2.409 1.00 25.00 C ATOM 0 HA PRO A 32 20.838 38.173 4.444 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.731 39.635 5.571 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.201 40.449 5.072 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.625 40.099 3.512 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.524 41.574 3.806 1.00 25.00 H new ATOM 0 HD2 PRO A 32 18.861 40.288 1.497 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.258 40.975 2.301 1.00 25.00 H new ATOM 463 N HIS A 33 17.956 37.087 3.574 1.00 25.00 N ATOM 464 CA HIS A 33 17.046 35.968 3.838 1.00 25.00 C ATOM 465 C HIS A 33 17.696 34.639 3.468 1.00 25.00 C ATOM 466 O HIS A 33 17.578 33.643 4.172 1.00 25.00 O ATOM 467 CB HIS A 33 15.748 36.131 3.039 1.00 25.00 C ATOM 468 CG HIS A 33 14.711 35.105 3.372 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.874 35.175 4.457 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.387 33.933 2.756 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.099 34.090 4.453 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.369 33.301 3.432 1.00 25.00 N ATOM 0 H HIS A 33 17.758 37.610 2.721 1.00 25.00 H new ATOM 0 HA HIS A 33 16.820 35.970 4.904 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.338 37.124 3.225 1.00 25.00 H new ATOM 0 HB3 HIS A 33 15.976 36.074 1.975 1.00 25.00 H new ATOM 0 HD2 HIS A 33 14.862 33.554 1.863 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.343 33.883 5.195 1.00 25.00 H new ATOM 0 HE2 HIS A 33 12.921 32.416 3.195 1.00 25.00 H new ATOM 480 N GLU A 34 18.378 34.646 2.336 1.00 25.00 N ATOM 481 CA GLU A 34 18.980 33.448 1.782 1.00 25.00 C ATOM 482 C GLU A 34 20.167 33.035 2.630 1.00 25.00 C ATOM 483 O GLU A 34 20.385 31.860 2.891 1.00 25.00 O ATOM 484 CB GLU A 34 19.423 33.738 0.352 1.00 25.00 C ATOM 485 CG GLU A 34 18.337 33.538 -0.687 1.00 25.00 C ATOM 486 CD GLU A 34 17.829 32.109 -0.729 1.00 25.00 C ATOM 487 OE1 GLU A 34 18.656 31.174 -0.793 1.00 25.00 O ATOM 488 OE2 GLU A 34 16.597 31.930 -0.684 1.00 25.00 O ATOM 0 H GLU A 34 18.530 35.484 1.775 1.00 25.00 H new ATOM 0 HA GLU A 34 18.257 32.632 1.778 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.780 34.766 0.295 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.268 33.094 0.107 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.506 34.210 -0.473 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.723 33.812 -1.669 1.00 25.00 H new ATOM 495 N LEU A 35 20.904 34.011 3.128 1.00 25.00 N ATOM 496 CA LEU A 35 22.033 33.724 4.010 1.00 25.00 C ATOM 497 C LEU A 35 21.529 33.205 5.361 1.00 25.00 C ATOM 498 O LEU A 35 22.195 32.401 6.018 1.00 25.00 O ATOM 499 CB LEU A 35 22.906 34.973 4.117 1.00 25.00 C ATOM 500 CG LEU A 35 22.663 36.107 5.121 1.00 25.00 C ATOM 501 CD1 LEU A 35 22.963 35.760 6.574 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.568 37.243 4.659 1.00 25.00 C ATOM 0 H LEU A 35 20.748 35.002 2.942 1.00 25.00 H new ATOM 0 HA LEU A 35 22.657 32.929 3.601 1.00 25.00 H new ATOM 0 HB2 LEU A 35 23.921 34.620 4.297 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.899 35.434 3.129 1.00 25.00 H new ATOM 0 HG LEU A 35 21.602 36.355 5.126 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.760 36.626 7.204 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.333 34.928 6.887 1.00 25.00 H new ATOM 0 HD13 LEU A 35 24.011 35.478 6.672 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.452 38.096 5.328 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.606 36.910 4.672 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.294 37.537 3.646 1.00 25.00 H new ATOM 514 N SER A 36 20.342 33.648 5.762 1.00 25.00 N ATOM 515 CA SER A 36 19.761 33.228 7.038 1.00 25.00 C ATOM 516 C SER A 36 19.243 31.800 6.971 1.00 25.00 C ATOM 517 O SER A 36 19.470 31.019 7.878 1.00 25.00 O ATOM 518 CB SER A 36 18.630 34.163 7.473 1.00 25.00 C ATOM 519 OG SER A 36 19.148 35.452 7.759 1.00 25.00 O ATOM 0 H SER A 36 19.763 34.295 5.226 1.00 25.00 H new ATOM 0 HA SER A 36 20.560 33.276 7.778 1.00 25.00 H new ATOM 0 HB2 SER A 36 17.880 34.230 6.685 1.00 25.00 H new ATOM 0 HB3 SER A 36 18.132 33.759 8.354 1.00 25.00 H new ATOM 0 HG SER A 36 18.878 36.077 7.054 1.00 25.00 H new ATOM 525 N LEU A 37 18.579 31.429 5.888 1.00 25.00 N ATOM 526 CA LEU A 37 18.099 30.052 5.779 1.00 25.00 C ATOM 527 C LEU A 37 19.270 29.146 5.672 1.00 25.00 C ATOM 528 O LEU A 37 19.237 28.002 6.083 1.00 25.00 O ATOM 529 CB LEU A 37 17.156 29.878 4.601 1.00 25.00 C ATOM 530 CG LEU A 37 17.570 29.913 3.124 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.180 28.607 2.642 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.326 30.235 2.299 1.00 25.00 C ATOM 0 H LEU A 37 18.363 32.034 5.095 1.00 25.00 H new ATOM 0 HA LEU A 37 17.526 29.802 6.672 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.666 28.916 4.751 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.391 30.646 4.715 1.00 25.00 H new ATOM 0 HG LEU A 37 18.343 30.672 3.005 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.451 28.698 1.590 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.071 28.384 3.228 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.456 27.801 2.762 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.589 30.267 1.242 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.572 29.465 2.462 1.00 25.00 H new ATOM 0 HD23 LEU A 37 15.928 31.203 2.603 1.00 25.00 H new ATOM 544 N LEU A 38 20.327 29.658 5.091 1.00 25.00 N ATOM 545 CA LEU A 38 21.514 28.874 4.908 1.00 25.00 C ATOM 546 C LEU A 38 22.214 28.566 6.214 1.00 25.00 C ATOM 547 O LEU A 38 22.605 27.440 6.432 1.00 25.00 O ATOM 548 CB LEU A 38 22.416 29.619 3.964 1.00 25.00 C ATOM 549 CG LEU A 38 23.662 28.840 3.527 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.275 27.616 2.713 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.607 29.710 2.744 1.00 25.00 C ATOM 0 H LEU A 38 20.386 30.613 4.739 1.00 25.00 H new ATOM 0 HA LEU A 38 21.243 27.905 4.489 1.00 25.00 H new ATOM 0 HB2 LEU A 38 21.845 29.894 3.077 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.732 30.547 4.440 1.00 25.00 H new ATOM 0 HG LEU A 38 24.176 28.511 4.430 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.175 27.079 2.414 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.646 26.962 3.316 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.727 27.929 1.824 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.479 29.127 2.450 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.103 30.084 1.853 1.00 25.00 H new ATOM 0 HD23 LEU A 38 24.924 30.550 3.361 1.00 25.00 H new ATOM 563 N LYS A 39 22.339 29.536 7.107 1.00 25.00 N ATOM 564 CA LYS A 39 22.934 29.247 8.424 1.00 25.00 C ATOM 565 C LYS A 39 22.031 28.364 9.263 1.00 25.00 C ATOM 566 O LYS A 39 22.516 27.584 10.065 1.00 25.00 O ATOM 567 CB LYS A 39 23.322 30.518 9.184 1.00 25.00 C ATOM 568 CG LYS A 39 22.211 31.556 9.327 1.00 25.00 C ATOM 569 CD LYS A 39 22.448 32.510 10.486 1.00 25.00 C ATOM 570 CE LYS A 39 23.564 33.492 10.171 1.00 25.00 C ATOM 571 NZ LYS A 39 23.752 34.435 11.317 1.00 25.00 N ATOM 0 H LYS A 39 22.050 30.503 6.962 1.00 25.00 H new ATOM 0 HA LYS A 39 23.856 28.698 8.231 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.664 30.236 10.180 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.167 30.982 8.676 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.131 32.127 8.402 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.258 31.046 9.470 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.530 33.056 10.704 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.702 31.942 11.381 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.491 32.952 9.977 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.325 34.050 9.266 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.517 35.104 11.094 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 22.870 34.960 11.482 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 24.000 33.897 12.172 1.00 25.00 H new ATOM 585 N GLU A 40 20.732 28.454 9.038 1.00 25.00 N ATOM 586 CA GLU A 40 19.781 27.601 9.746 1.00 25.00 C ATOM 587 C GLU A 40 19.816 26.159 9.236 1.00 25.00 C ATOM 588 O GLU A 40 19.897 25.212 10.009 1.00 25.00 O ATOM 589 CB GLU A 40 18.373 28.144 9.534 1.00 25.00 C ATOM 590 CG GLU A 40 18.028 29.328 10.406 1.00 25.00 C ATOM 591 CD GLU A 40 16.597 29.802 10.172 1.00 25.00 C ATOM 592 OE1 GLU A 40 16.328 31.010 10.310 1.00 25.00 O ATOM 593 OE2 GLU A 40 15.728 28.933 9.870 1.00 25.00 O ATOM 0 H GLU A 40 20.309 29.104 8.375 1.00 25.00 H new ATOM 0 HA GLU A 40 20.056 27.603 10.801 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.260 28.432 8.489 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.655 27.346 9.724 1.00 25.00 H new ATOM 0 HG2 GLU A 40 18.155 29.057 11.454 1.00 25.00 H new ATOM 0 HG3 GLU A 40 18.720 30.145 10.201 1.00 25.00 H new ATOM 600 N ARG A 41 19.690 25.992 7.926 1.00 25.00 N ATOM 601 CA ARG A 41 19.576 24.652 7.335 1.00 25.00 C ATOM 602 C ARG A 41 20.905 23.980 7.048 1.00 25.00 C ATOM 603 O ARG A 41 20.987 22.761 7.014 1.00 25.00 O ATOM 604 CB ARG A 41 18.765 24.731 6.045 1.00 25.00 C ATOM 605 CG ARG A 41 17.390 25.328 6.271 1.00 25.00 C ATOM 606 CD ARG A 41 16.548 25.285 5.013 1.00 25.00 C ATOM 607 NE ARG A 41 15.388 26.185 5.121 1.00 25.00 N ATOM 608 CZ ARG A 41 14.432 26.314 4.209 1.00 25.00 C ATOM 609 NH1 ARG A 41 14.423 25.609 3.110 1.00 25.00 N ATOM 610 NH2 ARG A 41 13.463 27.162 4.420 1.00 25.00 N ATOM 0 H ARG A 41 19.664 26.757 7.252 1.00 25.00 H new ATOM 0 HA ARG A 41 19.077 24.036 8.083 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.305 25.333 5.314 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.661 23.732 5.621 1.00 25.00 H new ATOM 0 HG2 ARG A 41 16.883 24.783 7.067 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.492 26.360 6.606 1.00 25.00 H new ATOM 0 HD2 ARG A 41 17.156 25.571 4.155 1.00 25.00 H new ATOM 0 HD3 ARG A 41 16.206 24.265 4.835 1.00 25.00 H new ATOM 0 HE ARG A 41 15.313 26.755 5.964 1.00 25.00 H new ATOM 0 HH11 ARG A 41 15.166 24.934 2.931 1.00 25.00 H new ATOM 0 HH12 ARG A 41 13.673 25.734 2.430 1.00 25.00 H new ATOM 0 HH21 ARG A 41 13.447 27.715 5.277 1.00 25.00 H new ATOM 0 HH22 ARG A 41 12.722 27.272 3.728 1.00 25.00 H new ATOM 624 N ASN A 42 21.928 24.771 6.790 1.00 25.00 N ATOM 625 CA ASN A 42 23.258 24.240 6.451 1.00 25.00 C ATOM 626 C ASN A 42 24.410 24.999 7.126 1.00 25.00 C ATOM 627 O ASN A 42 25.190 25.696 6.454 1.00 25.00 O ATOM 628 CB ASN A 42 23.462 24.287 4.934 1.00 25.00 C ATOM 629 CG ASN A 42 24.570 23.372 4.473 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.302 22.803 5.254 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.675 23.215 3.197 1.00 25.00 N ATOM 0 H ASN A 42 21.875 25.790 6.806 1.00 25.00 H new ATOM 0 HA ASN A 42 23.282 23.215 6.822 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.533 24.007 4.437 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.690 25.309 4.632 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.391 22.596 2.817 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.042 23.710 2.569 1.00 25.00 H new ATOM 638 N PRO A 43 24.558 24.859 8.457 1.00 25.00 N ATOM 639 CA PRO A 43 25.657 25.609 9.082 1.00 25.00 C ATOM 640 C PRO A 43 27.085 25.411 8.510 1.00 25.00 C ATOM 641 O PRO A 43 27.815 26.403 8.410 1.00 25.00 O ATOM 642 CB PRO A 43 25.556 25.217 10.561 1.00 25.00 C ATOM 643 CG PRO A 43 24.758 23.973 10.591 1.00 25.00 C ATOM 644 CD PRO A 43 23.793 24.091 9.458 1.00 25.00 C ATOM 0 HA PRO A 43 25.529 26.672 8.879 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.544 25.059 10.993 1.00 25.00 H new ATOM 0 HB3 PRO A 43 25.076 26.004 11.143 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.394 23.096 10.475 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.236 23.864 11.542 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.495 23.114 9.077 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.881 24.609 9.755 1.00 25.00 H new ATOM 652 N PRO A 44 27.497 24.189 8.078 1.00 25.00 N ATOM 653 CA PRO A 44 28.866 24.223 7.527 1.00 25.00 C ATOM 654 C PRO A 44 29.047 24.981 6.203 1.00 25.00 C ATOM 655 O PRO A 44 30.114 25.532 5.951 1.00 25.00 O ATOM 656 CB PRO A 44 29.197 22.741 7.346 1.00 25.00 C ATOM 657 CG PRO A 44 27.915 22.105 7.111 1.00 25.00 C ATOM 658 CD PRO A 44 26.970 22.808 8.047 1.00 25.00 C ATOM 0 HA PRO A 44 29.523 24.775 8.199 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.876 22.586 6.507 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.685 22.333 8.231 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.601 22.215 6.073 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.958 21.036 7.319 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.943 22.776 7.683 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.971 22.354 9.038 1.00 25.00 H new ATOM 666 N LEU A 45 28.031 25.043 5.349 1.00 25.00 N ATOM 667 CA LEU A 45 28.166 25.836 4.127 1.00 25.00 C ATOM 668 C LEU A 45 28.056 27.299 4.490 1.00 25.00 C ATOM 669 O LEU A 45 28.750 28.151 3.934 1.00 25.00 O ATOM 670 CB LEU A 45 27.114 25.463 3.080 1.00 25.00 C ATOM 671 CG LEU A 45 27.223 26.182 1.714 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.630 26.110 1.100 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.228 25.562 0.735 1.00 25.00 C ATOM 0 H LEU A 45 27.134 24.573 5.470 1.00 25.00 H new ATOM 0 HA LEU A 45 29.138 25.628 3.681 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.170 24.388 2.907 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.128 25.668 3.497 1.00 25.00 H new ATOM 0 HG LEU A 45 27.001 27.234 1.895 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.637 26.633 0.144 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.346 26.578 1.775 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.906 25.067 0.945 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.303 26.067 -0.228 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.454 24.503 0.608 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.216 25.673 1.125 1.00 25.00 H new ATOM 685 N ALA A 46 27.214 27.589 5.462 1.00 25.00 N ATOM 686 CA ALA A 46 27.043 28.958 5.914 1.00 25.00 C ATOM 687 C ALA A 46 28.312 29.542 6.529 1.00 25.00 C ATOM 688 O ALA A 46 28.678 30.647 6.191 1.00 25.00 O ATOM 689 CB ALA A 46 25.932 29.033 6.881 1.00 25.00 C ATOM 0 H ALA A 46 26.641 26.902 5.952 1.00 25.00 H new ATOM 0 HA ALA A 46 26.812 29.558 5.034 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.810 30.063 7.216 1.00 25.00 H new ATOM 0 HB2 ALA A 46 25.012 28.695 6.405 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.152 28.397 7.738 1.00 25.00 H new ATOM 695 N GLU A 47 28.978 28.830 7.427 1.00 25.00 N ATOM 696 CA GLU A 47 30.166 29.392 8.096 1.00 25.00 C ATOM 697 C GLU A 47 31.244 29.732 7.068 1.00 25.00 C ATOM 698 O GLU A 47 32.020 30.678 7.230 1.00 25.00 O ATOM 699 CB GLU A 47 30.726 28.442 9.162 1.00 25.00 C ATOM 700 CG GLU A 47 31.316 27.143 8.613 1.00 25.00 C ATOM 701 CD GLU A 47 32.069 26.336 9.664 1.00 25.00 C ATOM 702 OE1 GLU A 47 32.769 25.375 9.260 1.00 25.00 O ATOM 703 OE2 GLU A 47 32.057 26.713 10.852 1.00 25.00 O ATOM 0 H GLU A 47 28.732 27.882 7.712 1.00 25.00 H new ATOM 0 HA GLU A 47 29.855 30.306 8.603 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.498 28.966 9.727 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.929 28.195 9.864 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.513 26.532 8.201 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.992 27.377 7.791 1.00 25.00 H new ATOM 710 N ALA A 48 31.266 28.965 5.994 1.00 25.00 N ATOM 711 CA ALA A 48 32.200 29.173 4.920 1.00 25.00 C ATOM 712 C ALA A 48 31.915 30.495 4.214 1.00 25.00 C ATOM 713 O ALA A 48 32.835 31.238 3.883 1.00 25.00 O ATOM 714 CB ALA A 48 32.111 27.999 3.953 1.00 25.00 C ATOM 0 H ALA A 48 30.632 28.180 5.848 1.00 25.00 H new ATOM 0 HA ALA A 48 33.213 29.228 5.317 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.816 28.147 3.135 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.354 27.076 4.478 1.00 25.00 H new ATOM 0 HB3 ALA A 48 31.099 27.933 3.553 1.00 25.00 H new ATOM 720 N LEU A 49 30.635 30.804 4.056 1.00 25.00 N ATOM 721 CA LEU A 49 30.198 32.065 3.473 1.00 25.00 C ATOM 722 C LEU A 49 30.560 33.230 4.392 1.00 25.00 C ATOM 723 O LEU A 49 31.056 34.259 3.934 1.00 25.00 O ATOM 724 CB LEU A 49 28.670 32.050 3.288 1.00 25.00 C ATOM 725 CG LEU A 49 28.058 33.299 2.643 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.214 33.229 1.147 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.588 33.422 3.031 1.00 25.00 C ATOM 0 H LEU A 49 29.870 30.187 4.329 1.00 25.00 H new ATOM 0 HA LEU A 49 30.695 32.188 2.511 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.406 31.185 2.679 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.207 31.906 4.264 1.00 25.00 H new ATOM 0 HG LEU A 49 28.581 34.184 3.004 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.777 34.119 0.694 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.273 33.175 0.894 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.705 32.342 0.769 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.163 34.312 2.568 1.00 25.00 H new ATOM 0 HD22 LEU A 49 26.046 32.541 2.688 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.503 33.501 4.115 1.00 25.00 H new ATOM 739 N LEU A 50 30.302 33.065 5.688 1.00 25.00 N ATOM 740 CA LEU A 50 30.505 34.139 6.669 1.00 25.00 C ATOM 741 C LEU A 50 31.963 34.535 6.794 1.00 25.00 C ATOM 742 O LEU A 50 32.285 35.665 7.126 1.00 25.00 O ATOM 743 CB LEU A 50 30.026 33.708 8.059 1.00 25.00 C ATOM 744 CG LEU A 50 28.609 33.132 8.241 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.253 33.104 9.718 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.543 33.870 7.433 1.00 25.00 C ATOM 0 H LEU A 50 29.950 32.195 6.088 1.00 25.00 H new ATOM 0 HA LEU A 50 29.927 34.989 6.305 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.729 32.961 8.427 1.00 25.00 H new ATOM 0 HB3 LEU A 50 30.110 34.575 8.714 1.00 25.00 H new ATOM 0 HG LEU A 50 28.624 32.116 7.847 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.250 32.696 9.843 1.00 25.00 H new ATOM 0 HD12 LEU A 50 28.968 32.479 10.253 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.285 34.117 10.119 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.570 33.411 7.609 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.512 34.915 7.741 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.785 33.811 6.372 1.00 25.00 H new ATOM 758 N SER A 51 32.839 33.577 6.532 1.00 25.00 N ATOM 759 CA SER A 51 34.268 33.794 6.616 1.00 25.00 C ATOM 760 C SER A 51 34.793 34.621 5.450 1.00 25.00 C ATOM 761 O SER A 51 35.909 35.124 5.497 1.00 25.00 O ATOM 762 CB SER A 51 34.967 32.457 6.587 1.00 25.00 C ATOM 763 OG SER A 51 34.556 31.619 7.663 1.00 25.00 O ATOM 0 H SER A 51 32.576 32.631 6.256 1.00 25.00 H new ATOM 0 HA SER A 51 34.465 34.335 7.542 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.759 31.959 5.640 1.00 25.00 H new ATOM 0 HB3 SER A 51 36.045 32.610 6.637 1.00 25.00 H new ATOM 0 HG SER A 51 33.720 31.167 7.424 1.00 25.00 H new ATOM 769 N GLY A 52 34.017 34.713 4.377 1.00 25.00 N ATOM 770 CA GLY A 52 34.426 35.481 3.210 1.00 25.00 C ATOM 771 C GLY A 52 35.292 34.700 2.238 1.00 25.00 C ATOM 772 O GLY A 52 35.252 34.944 1.028 1.00 25.00 O ATOM 0 H GLY A 52 33.104 34.266 4.292 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.536 35.833 2.688 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.972 36.364 3.541 1.00 25.00 H new ATOM 776 N ASP A 53 36.065 33.751 2.762 1.00 25.00 N ATOM 777 CA ASP A 53 36.942 32.907 1.944 1.00 25.00 C ATOM 778 C ASP A 53 36.180 32.134 0.881 1.00 25.00 C ATOM 779 O ASP A 53 35.453 31.185 1.173 1.00 25.00 O ATOM 780 CB ASP A 53 37.717 31.938 2.817 1.00 25.00 C ATOM 781 CG ASP A 53 39.146 32.367 3.027 1.00 25.00 C ATOM 782 OD1 ASP A 53 39.640 32.236 4.164 1.00 25.00 O ATOM 783 OD2 ASP A 53 39.773 32.808 2.043 1.00 25.00 O ATOM 0 H ASP A 53 36.103 33.544 3.760 1.00 25.00 H new ATOM 0 HA ASP A 53 37.633 33.579 1.435 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.222 31.849 3.784 1.00 25.00 H new ATOM 0 HB3 ASP A 53 37.701 30.949 2.359 1.00 25.00 H new ATOM 788 N LEU A 54 36.387 32.512 -0.370 1.00 25.00 N ATOM 789 CA LEU A 54 35.769 31.806 -1.480 1.00 25.00 C ATOM 790 C LEU A 54 36.302 30.391 -1.480 1.00 25.00 C ATOM 791 O LEU A 54 35.591 29.455 -1.796 1.00 25.00 O ATOM 792 CB LEU A 54 36.086 32.483 -2.815 1.00 25.00 C ATOM 793 CG LEU A 54 35.393 31.944 -4.084 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.182 30.824 -4.769 1.00 25.00 C ATOM 795 CD2 LEU A 54 33.944 31.506 -3.833 1.00 25.00 C ATOM 0 H LEU A 54 36.975 33.300 -0.641 1.00 25.00 H new ATOM 0 HA LEU A 54 34.686 31.814 -1.360 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.835 33.540 -2.721 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.163 32.423 -2.972 1.00 25.00 H new ATOM 0 HG LEU A 54 35.368 32.792 -4.768 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.642 30.488 -5.654 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.163 31.197 -5.062 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.302 29.989 -4.079 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.510 31.136 -4.762 1.00 25.00 H new ATOM 0 HD22 LEU A 54 33.928 30.714 -3.084 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.364 32.356 -3.474 1.00 25.00 H new ATOM 807 N GLU A 55 37.555 30.254 -1.084 1.00 25.00 N ATOM 808 CA GLU A 55 38.219 28.956 -1.018 1.00 25.00 C ATOM 809 C GLU A 55 37.381 27.960 -0.243 1.00 25.00 C ATOM 810 O GLU A 55 37.030 26.890 -0.740 1.00 25.00 O ATOM 811 CB GLU A 55 39.565 29.093 -0.309 1.00 25.00 C ATOM 812 CG GLU A 55 40.446 30.153 -0.914 1.00 25.00 C ATOM 813 CD GLU A 55 41.891 30.031 -0.462 1.00 25.00 C ATOM 814 OE1 GLU A 55 42.160 29.267 0.494 1.00 25.00 O ATOM 815 OE2 GLU A 55 42.764 30.638 -1.111 1.00 25.00 O ATOM 0 H GLU A 55 38.144 31.036 -0.798 1.00 25.00 H new ATOM 0 HA GLU A 55 38.358 28.603 -2.040 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.393 29.328 0.741 1.00 25.00 H new ATOM 0 HB3 GLU A 55 40.085 28.135 -0.341 1.00 25.00 H new ATOM 0 HG2 GLU A 55 40.401 30.083 -2.001 1.00 25.00 H new ATOM 0 HG3 GLU A 55 40.065 31.137 -0.642 1.00 25.00 H new ATOM 822 N LYS A 56 37.053 28.319 0.986 1.00 25.00 N ATOM 823 CA LYS A 56 36.286 27.422 1.841 1.00 25.00 C ATOM 824 C LYS A 56 34.837 27.347 1.405 1.00 25.00 C ATOM 825 O LYS A 56 34.248 26.282 1.466 1.00 25.00 O ATOM 826 CB LYS A 56 36.441 27.789 3.329 1.00 25.00 C ATOM 827 CG LYS A 56 35.828 29.059 3.782 1.00 25.00 C ATOM 828 CD LYS A 56 36.399 29.466 5.148 1.00 25.00 C ATOM 829 CE LYS A 56 35.839 28.627 6.309 1.00 25.00 C ATOM 830 NZ LYS A 56 36.245 29.190 7.645 1.00 25.00 N ATOM 0 H LYS A 56 37.300 29.212 1.412 1.00 25.00 H new ATOM 0 HA LYS A 56 36.697 26.419 1.727 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.017 26.979 3.922 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.506 27.828 3.558 1.00 25.00 H new ATOM 0 HG2 LYS A 56 36.019 29.845 3.051 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.746 28.945 3.851 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.484 29.367 5.126 1.00 25.00 H new ATOM 0 HD3 LYS A 56 36.179 30.518 5.328 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.752 28.593 6.243 1.00 25.00 H new ATOM 0 HE3 LYS A 56 36.196 27.601 6.222 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 36.029 28.500 8.393 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 37.266 29.389 7.642 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.721 30.070 7.824 1.00 25.00 H new ATOM 844 N PHE A 57 34.285 28.435 0.898 1.00 25.00 N ATOM 845 CA PHE A 57 32.910 28.404 0.392 1.00 25.00 C ATOM 846 C PHE A 57 32.784 27.389 -0.747 1.00 25.00 C ATOM 847 O PHE A 57 31.949 26.501 -0.690 1.00 25.00 O ATOM 848 CB PHE A 57 32.465 29.788 -0.084 1.00 25.00 C ATOM 849 CG PHE A 57 31.058 29.810 -0.603 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.811 29.816 -1.991 1.00 25.00 C ATOM 851 CD2 PHE A 57 29.969 29.812 0.285 1.00 25.00 C ATOM 852 CE1 PHE A 57 29.490 29.818 -2.489 1.00 25.00 C ATOM 853 CE2 PHE A 57 28.639 29.815 -0.201 1.00 25.00 C ATOM 854 CZ PHE A 57 28.403 29.822 -1.596 1.00 25.00 C ATOM 0 H PHE A 57 34.751 29.339 0.823 1.00 25.00 H new ATOM 0 HA PHE A 57 32.258 28.101 1.211 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.552 30.494 0.742 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.140 30.130 -0.868 1.00 25.00 H new ATOM 0 HD1 PHE A 57 31.642 29.819 -2.681 1.00 25.00 H new ATOM 0 HD2 PHE A 57 30.148 29.811 1.350 1.00 25.00 H new ATOM 0 HE1 PHE A 57 29.314 29.816 -3.555 1.00 25.00 H new ATOM 0 HE2 PHE A 57 27.809 29.812 0.490 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.391 29.830 -1.974 1.00 25.00 H new ATOM 864 N SER A 58 33.661 27.471 -1.736 1.00 25.00 N ATOM 865 CA SER A 58 33.686 26.520 -2.853 1.00 25.00 C ATOM 866 C SER A 58 33.953 25.090 -2.389 1.00 25.00 C ATOM 867 O SER A 58 33.340 24.136 -2.875 1.00 25.00 O ATOM 868 CB SER A 58 34.783 26.926 -3.839 1.00 25.00 C ATOM 869 OG SER A 58 34.805 26.046 -4.942 1.00 25.00 O ATOM 0 H SER A 58 34.377 28.195 -1.793 1.00 25.00 H new ATOM 0 HA SER A 58 32.704 26.546 -3.325 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.612 27.946 -4.183 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.752 26.917 -3.339 1.00 25.00 H new ATOM 0 HG SER A 58 35.511 26.319 -5.565 1.00 25.00 H new ATOM 875 N ARG A 59 34.858 24.932 -1.439 1.00 25.00 N ATOM 876 CA ARG A 59 35.201 23.611 -0.930 1.00 25.00 C ATOM 877 C ARG A 59 33.993 22.974 -0.271 1.00 25.00 C ATOM 878 O ARG A 59 33.696 21.817 -0.506 1.00 25.00 O ATOM 879 CB ARG A 59 36.355 23.724 0.065 1.00 25.00 C ATOM 880 CG ARG A 59 36.800 22.377 0.656 1.00 25.00 C ATOM 881 CD ARG A 59 36.404 22.252 2.124 1.00 25.00 C ATOM 882 NE ARG A 59 37.195 23.164 2.975 1.00 25.00 N ATOM 883 CZ ARG A 59 36.987 23.383 4.272 1.00 25.00 C ATOM 884 NH1 ARG A 59 36.024 22.792 4.935 1.00 25.00 N ATOM 885 NH2 ARG A 59 37.765 24.212 4.904 1.00 25.00 N ATOM 0 H ARG A 59 35.369 25.700 -1.003 1.00 25.00 H new ATOM 0 HA ARG A 59 35.513 22.978 -1.761 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.206 24.191 -0.431 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.058 24.386 0.878 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.352 21.563 0.087 1.00 25.00 H new ATOM 0 HG3 ARG A 59 37.881 22.276 0.560 1.00 25.00 H new ATOM 0 HD2 ARG A 59 35.343 22.475 2.237 1.00 25.00 H new ATOM 0 HD3 ARG A 59 36.550 21.224 2.456 1.00 25.00 H new ATOM 0 HE ARG A 59 37.964 23.668 2.533 1.00 25.00 H new ATOM 0 HH11 ARG A 59 35.403 22.139 4.458 1.00 25.00 H new ATOM 0 HH12 ARG A 59 35.896 22.985 5.928 1.00 25.00 H new ATOM 0 HH21 ARG A 59 38.520 24.683 4.406 1.00 25.00 H new ATOM 0 HH22 ARG A 59 37.620 24.391 5.898 1.00 25.00 H new ATOM 899 N VAL A 60 33.271 23.718 0.539 1.00 25.00 N ATOM 900 CA VAL A 60 32.097 23.142 1.192 1.00 25.00 C ATOM 901 C VAL A 60 30.977 22.983 0.163 1.00 25.00 C ATOM 902 O VAL A 60 30.219 22.031 0.226 1.00 25.00 O ATOM 903 CB VAL A 60 31.631 23.959 2.425 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.458 23.259 3.114 1.00 25.00 C ATOM 905 CG2 VAL A 60 32.779 24.098 3.436 1.00 25.00 C ATOM 0 H VAL A 60 33.461 24.695 0.762 1.00 25.00 H new ATOM 0 HA VAL A 60 32.373 22.162 1.581 1.00 25.00 H new ATOM 0 HB VAL A 60 31.321 24.945 2.079 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.142 23.844 3.978 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.627 23.167 2.414 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.768 22.267 3.442 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.438 24.674 4.297 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.097 23.108 3.764 1.00 25.00 H new ATOM 0 HG23 VAL A 60 33.618 24.611 2.966 1.00 25.00 H new ATOM 915 N LEU A 61 30.908 23.878 -0.812 1.00 25.00 N ATOM 916 CA LEU A 61 29.896 23.782 -1.865 1.00 25.00 C ATOM 917 C LEU A 61 30.000 22.447 -2.597 1.00 25.00 C ATOM 918 O LEU A 61 28.987 21.790 -2.831 1.00 25.00 O ATOM 919 CB LEU A 61 30.051 24.932 -2.872 1.00 25.00 C ATOM 920 CG LEU A 61 28.835 25.176 -3.782 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.038 26.328 -3.218 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.222 25.522 -5.211 1.00 25.00 C ATOM 0 H LEU A 61 31.536 24.677 -0.900 1.00 25.00 H new ATOM 0 HA LEU A 61 28.916 23.851 -1.392 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.262 25.849 -2.322 1.00 25.00 H new ATOM 0 HB3 LEU A 61 30.919 24.729 -3.499 1.00 25.00 H new ATOM 0 HG LEU A 61 28.260 24.251 -3.810 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.171 26.515 -3.851 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.705 26.081 -2.210 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.663 27.221 -3.185 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.321 25.683 -5.803 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.825 26.430 -5.215 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.797 24.702 -5.641 1.00 25.00 H new ATOM 934 N VAL A 62 31.210 22.033 -2.947 1.00 25.00 N ATOM 935 CA VAL A 62 31.381 20.753 -3.636 1.00 25.00 C ATOM 936 C VAL A 62 31.178 19.576 -2.672 1.00 25.00 C ATOM 937 O VAL A 62 30.590 18.576 -3.060 1.00 25.00 O ATOM 938 CB VAL A 62 32.742 20.668 -4.407 1.00 25.00 C ATOM 939 CG1 VAL A 62 33.957 20.612 -3.481 1.00 25.00 C ATOM 940 CG2 VAL A 62 32.744 19.465 -5.339 1.00 25.00 C ATOM 0 H VAL A 62 32.073 22.548 -2.772 1.00 25.00 H new ATOM 0 HA VAL A 62 30.604 20.686 -4.397 1.00 25.00 H new ATOM 0 HB VAL A 62 32.829 21.588 -4.985 1.00 25.00 H new ATOM 0 HG11 VAL A 62 34.867 20.554 -4.078 1.00 25.00 H new ATOM 0 HG12 VAL A 62 33.985 21.509 -2.863 1.00 25.00 H new ATOM 0 HG13 VAL A 62 33.886 19.733 -2.841 1.00 25.00 H new ATOM 0 HG21 VAL A 62 33.695 19.417 -5.869 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.606 18.554 -4.757 1.00 25.00 H new ATOM 0 HG23 VAL A 62 31.932 19.561 -6.059 1.00 25.00 H new ATOM 950 N GLU A 63 31.588 19.705 -1.419 1.00 25.00 N ATOM 951 CA GLU A 63 31.367 18.632 -0.435 1.00 25.00 C ATOM 952 C GLU A 63 29.873 18.382 -0.224 1.00 25.00 C ATOM 953 O GLU A 63 29.426 17.241 -0.150 1.00 25.00 O ATOM 954 CB GLU A 63 31.997 18.988 0.919 1.00 25.00 C ATOM 955 CG GLU A 63 33.514 18.831 0.946 1.00 25.00 C ATOM 956 CD GLU A 63 33.948 17.391 0.744 1.00 25.00 C ATOM 957 OE1 GLU A 63 33.505 16.506 1.507 1.00 25.00 O ATOM 958 OE2 GLU A 63 34.733 17.150 -0.194 1.00 25.00 O ATOM 0 H GLU A 63 32.070 20.526 -1.054 1.00 25.00 H new ATOM 0 HA GLU A 63 31.837 17.732 -0.832 1.00 25.00 H new ATOM 0 HB2 GLU A 63 31.742 20.018 1.170 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.561 18.355 1.691 1.00 25.00 H new ATOM 0 HG2 GLU A 63 33.955 19.454 0.168 1.00 25.00 H new ATOM 0 HG3 GLU A 63 33.898 19.193 1.900 1.00 25.00 H new