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 73:sc= 1.74 USER MOD Set 1.2: A 56 LYS NZ :NH3+ 178:sc= 1.19 (180deg=0.604) USER MOD Single : A 27 MET CE :methyl -174:sc= 0 (180deg=-0.042) USER MOD Single : A 31 ASN : amide:sc= -1.34 K(o=-1.3,f=-7.9!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,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= -0.122 K(o=-0.12,f=-4.6!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0646 USER MOD ----------------------------------------------------------------- ATOM 272 N PRO A 21 30.471 28.974 -7.483 1.00 25.00 N ATOM 273 CA PRO A 21 30.531 29.349 -6.065 1.00 25.00 C ATOM 274 C PRO A 21 30.878 30.814 -5.849 1.00 25.00 C ATOM 275 O PRO A 21 30.428 31.416 -4.892 1.00 25.00 O ATOM 276 CB PRO A 21 31.652 28.455 -5.517 1.00 25.00 C ATOM 277 CG PRO A 21 32.436 28.078 -6.701 1.00 25.00 C ATOM 278 CD PRO A 21 31.454 27.927 -7.795 1.00 25.00 C ATOM 0 HA PRO A 21 29.567 29.217 -5.574 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.264 28.988 -4.789 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.248 27.577 -5.013 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.176 28.842 -6.941 1.00 25.00 H new ATOM 0 HG3 PRO A 21 32.980 27.149 -6.531 1.00 25.00 H new ATOM 0 HD2 PRO A 21 31.910 28.076 -8.774 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.003 26.935 -7.802 1.00 25.00 H new ATOM 286 N ALA A 22 31.660 31.399 -6.747 1.00 25.00 N ATOM 287 CA ALA A 22 32.030 32.804 -6.623 1.00 25.00 C ATOM 288 C ALA A 22 30.792 33.700 -6.685 1.00 25.00 C ATOM 289 O ALA A 22 30.635 34.605 -5.872 1.00 25.00 O ATOM 290 CB ALA A 22 33.026 33.181 -7.726 1.00 25.00 C ATOM 0 H ALA A 22 32.048 30.927 -7.564 1.00 25.00 H new ATOM 0 HA ALA A 22 32.505 32.955 -5.653 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.298 34.232 -7.627 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.920 32.565 -7.635 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.569 33.015 -8.701 1.00 25.00 H new ATOM 296 N LEU A 23 29.917 33.431 -7.643 1.00 25.00 N ATOM 297 CA LEU A 23 28.717 34.248 -7.824 1.00 25.00 C ATOM 298 C LEU A 23 27.710 33.949 -6.723 1.00 25.00 C ATOM 299 O LEU A 23 27.031 34.842 -6.241 1.00 25.00 O ATOM 300 CB LEU A 23 28.058 33.982 -9.187 1.00 25.00 C ATOM 301 CG LEU A 23 28.907 34.156 -10.461 1.00 25.00 C ATOM 302 CD1 LEU A 23 28.023 33.900 -11.683 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.557 35.515 -10.591 1.00 25.00 C ATOM 0 H LEU A 23 30.010 32.660 -8.305 1.00 25.00 H new ATOM 0 HA LEU A 23 29.021 35.294 -7.780 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.679 32.960 -9.178 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.194 34.641 -9.272 1.00 25.00 H new ATOM 0 HG LEU A 23 29.722 33.435 -10.393 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.614 34.020 -12.591 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.627 32.885 -11.640 1.00 25.00 H new ATOM 0 HD13 LEU A 23 27.197 34.612 -11.690 1.00 25.00 H new ATOM 0 HD21 LEU A 23 30.136 35.555 -11.514 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.787 36.286 -10.612 1.00 25.00 H new ATOM 0 HD23 LEU A 23 30.218 35.685 -9.741 1.00 25.00 H new ATOM 315 N LEU A 24 27.613 32.687 -6.327 1.00 25.00 N ATOM 316 CA LEU A 24 26.660 32.299 -5.292 1.00 25.00 C ATOM 317 C LEU A 24 27.049 32.910 -3.957 1.00 25.00 C ATOM 318 O LEU A 24 26.201 33.418 -3.245 1.00 25.00 O ATOM 319 CB LEU A 24 26.587 30.774 -5.170 1.00 25.00 C ATOM 320 CG LEU A 24 25.494 30.182 -4.255 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.152 30.924 -4.328 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.274 28.725 -4.629 1.00 25.00 C ATOM 0 H LEU A 24 28.174 31.922 -6.700 1.00 25.00 H new ATOM 0 HA LEU A 24 25.677 32.673 -5.577 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.447 30.363 -6.170 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.553 30.419 -4.812 1.00 25.00 H new ATOM 0 HG LEU A 24 25.853 30.288 -3.231 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.436 30.448 -3.657 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.294 31.963 -4.030 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.772 30.888 -5.349 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.503 28.297 -3.988 1.00 25.00 H new ATOM 0 HD22 LEU A 24 24.957 28.660 -5.670 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.204 28.171 -4.498 1.00 25.00 H new ATOM 334 N ARG A 25 28.338 32.908 -3.646 1.00 25.00 N ATOM 335 CA ARG A 25 28.835 33.523 -2.419 1.00 25.00 C ATOM 336 C ARG A 25 28.445 34.987 -2.421 1.00 25.00 C ATOM 337 O ARG A 25 27.959 35.510 -1.437 1.00 25.00 O ATOM 338 CB ARG A 25 30.363 33.396 -2.364 1.00 25.00 C ATOM 339 CG ARG A 25 31.009 33.947 -1.100 1.00 25.00 C ATOM 340 CD ARG A 25 32.423 34.423 -1.377 1.00 25.00 C ATOM 341 NE ARG A 25 32.415 35.606 -2.255 1.00 25.00 N ATOM 342 CZ ARG A 25 33.407 36.476 -2.392 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.539 36.362 -1.736 1.00 25.00 N ATOM 344 NH2 ARG A 25 33.251 37.490 -3.202 1.00 25.00 N ATOM 0 H ARG A 25 29.062 32.486 -4.228 1.00 25.00 H new ATOM 0 HA ARG A 25 28.406 33.025 -1.550 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.629 32.343 -2.461 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.787 33.912 -3.225 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.413 34.773 -0.712 1.00 25.00 H new ATOM 0 HG3 ARG A 25 31.025 33.176 -0.329 1.00 25.00 H new ATOM 0 HD2 ARG A 25 32.920 34.665 -0.438 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.996 33.622 -1.844 1.00 25.00 H new ATOM 0 HE ARG A 25 31.573 35.771 -2.806 1.00 25.00 H new ATOM 0 HH11 ARG A 25 34.680 35.583 -1.093 1.00 25.00 H new ATOM 0 HH12 ARG A 25 35.278 37.053 -1.870 1.00 25.00 H new ATOM 0 HH21 ARG A 25 32.377 37.602 -3.716 1.00 25.00 H new ATOM 0 HH22 ARG A 25 34.003 38.169 -3.320 1.00 25.00 H new ATOM 358 N ASP A 26 28.665 35.641 -3.545 1.00 25.00 N ATOM 359 CA ASP A 26 28.381 37.065 -3.666 1.00 25.00 C ATOM 360 C ASP A 26 26.886 37.367 -3.504 1.00 25.00 C ATOM 361 O ASP A 26 26.503 38.268 -2.760 1.00 25.00 O ATOM 362 CB ASP A 26 28.885 37.546 -5.019 1.00 25.00 C ATOM 363 CG ASP A 26 29.513 38.915 -4.942 1.00 25.00 C ATOM 364 OD1 ASP A 26 28.929 39.891 -5.447 1.00 25.00 O ATOM 365 OD2 ASP A 26 30.639 38.998 -4.385 1.00 25.00 O ATOM 0 H ASP A 26 29.040 35.212 -4.391 1.00 25.00 H new ATOM 0 HA ASP A 26 28.894 37.596 -2.865 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.615 36.835 -5.406 1.00 25.00 H new ATOM 0 HB3 ASP A 26 28.056 37.568 -5.726 1.00 25.00 H new ATOM 370 N MET A 27 26.044 36.567 -4.146 1.00 25.00 N ATOM 371 CA MET A 27 24.592 36.724 -4.033 1.00 25.00 C ATOM 372 C MET A 27 24.134 36.496 -2.604 1.00 25.00 C ATOM 373 O MET A 27 23.313 37.234 -2.089 1.00 25.00 O ATOM 374 CB MET A 27 23.878 35.719 -4.936 1.00 25.00 C ATOM 375 CG MET A 27 22.374 35.952 -5.032 1.00 25.00 C ATOM 376 SD MET A 27 21.554 34.712 -6.058 1.00 25.00 S ATOM 377 CE MET A 27 21.318 33.349 -4.874 1.00 25.00 C ATOM 0 H MET A 27 26.338 35.801 -4.752 1.00 25.00 H new ATOM 0 HA MET A 27 24.345 37.741 -4.337 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.310 35.769 -5.935 1.00 25.00 H new ATOM 0 HB3 MET A 27 24.059 34.712 -4.560 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.941 35.937 -4.032 1.00 25.00 H new ATOM 0 HG3 MET A 27 22.188 36.943 -5.445 1.00 25.00 H new ATOM 0 HE1 MET A 27 20.920 32.479 -5.396 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.275 33.093 -4.418 1.00 25.00 H new ATOM 0 HE3 MET A 27 20.618 33.658 -4.098 1.00 25.00 H new ATOM 387 N LEU A 28 24.666 35.465 -1.972 1.00 25.00 N ATOM 388 CA LEU A 28 24.301 35.119 -0.608 1.00 25.00 C ATOM 389 C LEU A 28 24.691 36.205 0.375 1.00 25.00 C ATOM 390 O LEU A 28 23.937 36.524 1.282 1.00 25.00 O ATOM 391 CB LEU A 28 24.991 33.835 -0.220 1.00 25.00 C ATOM 392 CG LEU A 28 24.180 32.593 -0.554 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.096 31.426 -0.616 1.00 25.00 C ATOM 394 CD2 LEU A 28 23.126 32.386 0.504 1.00 25.00 C ATOM 0 H LEU A 28 25.361 34.845 -2.388 1.00 25.00 H new ATOM 0 HA LEU A 28 23.218 35.003 -0.571 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.954 33.780 -0.728 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.196 33.850 0.850 1.00 25.00 H new ATOM 0 HG LEU A 28 23.685 32.710 -1.518 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.526 30.528 -0.855 1.00 25.00 H new ATOM 0 HD12 LEU A 28 25.848 31.594 -1.387 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.588 31.298 0.348 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.543 31.496 0.267 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.605 32.258 1.475 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.467 33.254 0.536 1.00 25.00 H new ATOM 406 N LEU A 29 25.864 36.789 0.179 1.00 25.00 N ATOM 407 CA LEU A 29 26.334 37.877 1.047 1.00 25.00 C ATOM 408 C LEU A 29 25.388 39.067 0.944 1.00 25.00 C ATOM 409 O LEU A 29 25.132 39.763 1.924 1.00 25.00 O ATOM 410 CB LEU A 29 27.749 38.313 0.646 1.00 25.00 C ATOM 411 CG LEU A 29 28.900 37.378 1.057 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.162 37.718 0.266 1.00 25.00 C ATOM 413 CD2 LEU A 29 29.183 37.460 2.556 1.00 25.00 C ATOM 0 H LEU A 29 26.511 36.535 -0.568 1.00 25.00 H new ATOM 0 HA LEU A 29 26.355 37.514 2.075 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.775 38.430 -0.437 1.00 25.00 H new ATOM 0 HB3 LEU A 29 27.938 39.296 1.077 1.00 25.00 H new ATOM 0 HG LEU A 29 28.596 36.356 0.830 1.00 25.00 H new ATOM 0 HD11 LEU A 29 30.970 37.050 0.565 1.00 25.00 H new ATOM 0 HD12 LEU A 29 29.967 37.597 -0.800 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.451 38.750 0.467 1.00 25.00 H new ATOM 0 HD21 LEU A 29 30.002 36.786 2.809 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.459 38.481 2.819 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.291 37.171 3.111 1.00 25.00 H new ATOM 425 N ALA A 30 24.860 39.283 -0.252 1.00 25.00 N ATOM 426 CA ALA A 30 23.933 40.378 -0.504 1.00 25.00 C ATOM 427 C ALA A 30 22.478 40.030 -0.141 1.00 25.00 C ATOM 428 O ALA A 30 21.611 40.907 -0.174 1.00 25.00 O ATOM 429 CB ALA A 30 24.022 40.777 -1.985 1.00 25.00 C ATOM 0 H ALA A 30 25.060 38.709 -1.071 1.00 25.00 H new ATOM 0 HA ALA A 30 24.223 41.209 0.139 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.331 41.596 -2.183 1.00 25.00 H new ATOM 0 HB2 ALA A 30 25.039 41.096 -2.216 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.759 39.922 -2.608 1.00 25.00 H new ATOM 435 N ASN A 31 22.191 38.767 0.153 1.00 25.00 N ATOM 436 CA ASN A 31 20.809 38.332 0.372 1.00 25.00 C ATOM 437 C ASN A 31 20.546 37.900 1.818 1.00 25.00 C ATOM 438 O ASN A 31 20.869 36.777 2.207 1.00 25.00 O ATOM 439 CB ASN A 31 20.482 37.179 -0.572 1.00 25.00 C ATOM 440 CG ASN A 31 19.005 36.937 -0.685 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.268 37.023 0.292 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.560 36.643 -1.872 1.00 25.00 N ATOM 0 H ASN A 31 22.888 38.028 0.246 1.00 25.00 H new ATOM 0 HA ASN A 31 20.165 39.188 0.169 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.889 37.394 -1.560 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.971 36.272 -0.217 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.564 36.474 -2.016 1.00 25.00 H new ATOM 0 HD22 ASN A 31 19.207 36.581 -2.658 1.00 25.00 H new ATOM 449 N PRO A 32 19.908 38.766 2.624 1.00 25.00 N ATOM 450 CA PRO A 32 19.703 38.389 4.028 1.00 25.00 C ATOM 451 C PRO A 32 18.757 37.204 4.260 1.00 25.00 C ATOM 452 O PRO A 32 18.854 36.529 5.277 1.00 25.00 O ATOM 453 CB PRO A 32 19.141 39.675 4.643 1.00 25.00 C ATOM 454 CG PRO A 32 18.466 40.357 3.506 1.00 25.00 C ATOM 455 CD PRO A 32 19.376 40.114 2.347 1.00 25.00 C ATOM 0 HA PRO A 32 20.632 38.033 4.473 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.441 39.458 5.450 1.00 25.00 H new ATOM 0 HB3 PRO A 32 19.933 40.294 5.066 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.473 39.946 3.327 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.340 41.423 3.698 1.00 25.00 H new ATOM 0 HD2 PRO A 32 18.841 40.150 1.398 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.170 40.859 2.293 1.00 25.00 H new ATOM 463 N HIS A 33 17.847 36.952 3.331 1.00 25.00 N ATOM 464 CA HIS A 33 16.907 35.836 3.453 1.00 25.00 C ATOM 465 C HIS A 33 17.595 34.504 3.144 1.00 25.00 C ATOM 466 O HIS A 33 17.388 33.496 3.813 1.00 25.00 O ATOM 467 CB HIS A 33 15.752 36.055 2.470 1.00 25.00 C ATOM 468 CG HIS A 33 14.722 34.970 2.493 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.648 34.940 3.343 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.600 33.847 1.730 1.00 25.00 C ATOM 471 CE1 HIS A 33 12.935 33.854 3.071 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.469 33.151 2.095 1.00 25.00 N ATOM 0 H HIS A 33 17.736 37.504 2.481 1.00 25.00 H new ATOM 0 HA HIS A 33 16.534 35.797 4.476 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.269 37.005 2.698 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.157 36.137 1.461 1.00 25.00 H new ATOM 0 HD2 HIS A 33 15.289 33.547 0.954 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.027 33.581 3.588 1.00 25.00 H new ATOM 0 HE2 HIS A 33 13.121 32.280 1.695 1.00 25.00 H new ATOM 480 N GLU A 34 18.410 34.520 2.107 1.00 25.00 N ATOM 481 CA GLU A 34 19.058 33.312 1.605 1.00 25.00 C ATOM 482 C GLU A 34 20.186 32.929 2.549 1.00 25.00 C ATOM 483 O GLU A 34 20.399 31.767 2.853 1.00 25.00 O ATOM 484 CB GLU A 34 19.597 33.596 0.204 1.00 25.00 C ATOM 485 CG GLU A 34 18.707 33.123 -0.929 1.00 25.00 C ATOM 486 CD GLU A 34 18.765 31.617 -1.125 1.00 25.00 C ATOM 487 OE1 GLU A 34 17.693 30.995 -1.235 1.00 25.00 O ATOM 488 OE2 GLU A 34 19.885 31.063 -1.205 1.00 25.00 O ATOM 0 H GLU A 34 18.645 35.365 1.586 1.00 25.00 H new ATOM 0 HA GLU A 34 18.350 32.485 1.553 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.752 34.670 0.101 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.573 33.121 0.103 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.678 33.420 -0.727 1.00 25.00 H new ATOM 0 HG3 GLU A 34 19.006 33.618 -1.853 1.00 25.00 H new ATOM 495 N LEU A 35 20.877 33.923 3.076 1.00 25.00 N ATOM 496 CA LEU A 35 21.944 33.671 4.031 1.00 25.00 C ATOM 497 C LEU A 35 21.365 33.114 5.335 1.00 25.00 C ATOM 498 O LEU A 35 22.013 32.341 6.034 1.00 25.00 O ATOM 499 CB LEU A 35 22.783 34.923 4.206 1.00 25.00 C ATOM 500 CG LEU A 35 22.450 36.040 5.196 1.00 25.00 C ATOM 501 CD1 LEU A 35 22.601 35.693 6.664 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.409 37.139 4.822 1.00 25.00 C ATOM 0 H LEU A 35 20.721 34.908 2.861 1.00 25.00 H new ATOM 0 HA LEU A 35 22.620 32.903 3.656 1.00 25.00 H new ATOM 0 HB2 LEU A 35 23.789 34.584 4.455 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.839 35.392 3.224 1.00 25.00 H new ATOM 0 HG LEU A 35 21.393 36.294 5.116 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.339 36.559 7.271 1.00 25.00 H new ATOM 0 HD12 LEU A 35 21.940 34.862 6.911 1.00 25.00 H new ATOM 0 HD13 LEU A 35 23.633 35.408 6.866 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.253 37.996 5.477 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.433 36.781 4.930 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.236 37.437 3.788 1.00 25.00 H new ATOM 514 N SER A 36 20.139 33.515 5.647 1.00 25.00 N ATOM 515 CA SER A 36 19.438 33.087 6.861 1.00 25.00 C ATOM 516 C SER A 36 19.042 31.624 6.765 1.00 25.00 C ATOM 517 O SER A 36 19.279 30.856 7.684 1.00 25.00 O ATOM 518 CB SER A 36 18.184 33.942 7.077 1.00 25.00 C ATOM 519 OG SER A 36 17.372 33.433 8.116 1.00 25.00 O ATOM 0 H SER A 36 19.595 34.151 5.064 1.00 25.00 H new ATOM 0 HA SER A 36 20.114 33.215 7.706 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.478 34.965 7.314 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.608 33.982 6.152 1.00 25.00 H new ATOM 0 HG SER A 36 16.584 34.005 8.225 1.00 25.00 H new ATOM 525 N LEU A 37 18.491 31.205 5.639 1.00 25.00 N ATOM 526 CA LEU A 37 18.133 29.800 5.481 1.00 25.00 C ATOM 527 C LEU A 37 19.369 28.970 5.470 1.00 25.00 C ATOM 528 O LEU A 37 19.386 27.851 5.934 1.00 25.00 O ATOM 529 CB LEU A 37 17.302 29.583 4.233 1.00 25.00 C ATOM 530 CG LEU A 37 17.802 29.626 2.785 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.558 28.381 2.384 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.580 29.802 1.895 1.00 25.00 C ATOM 0 H LEU A 37 18.284 31.799 4.836 1.00 25.00 H new ATOM 0 HA LEU A 37 17.517 29.493 6.326 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.844 28.601 4.354 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.499 30.318 4.286 1.00 25.00 H new ATOM 0 HG LEU A 37 18.506 30.451 2.679 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.886 28.472 1.348 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.427 28.259 3.030 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.907 27.512 2.483 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.892 29.838 0.851 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.899 28.963 2.042 1.00 25.00 H new ATOM 0 HD23 LEU A 37 16.072 30.731 2.154 1.00 25.00 H new ATOM 544 N LEU A 38 20.417 29.532 4.923 1.00 25.00 N ATOM 545 CA LEU A 38 21.656 28.820 4.800 1.00 25.00 C ATOM 546 C LEU A 38 22.286 28.489 6.139 1.00 25.00 C ATOM 547 O LEU A 38 22.712 27.374 6.349 1.00 25.00 O ATOM 548 CB LEU A 38 22.578 29.652 3.950 1.00 25.00 C ATOM 549 CG LEU A 38 23.880 28.942 3.565 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.588 27.771 2.660 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.853 29.885 2.897 1.00 25.00 C ATOM 0 H LEU A 38 20.433 30.483 4.556 1.00 25.00 H new ATOM 0 HA LEU A 38 21.465 27.855 4.331 1.00 25.00 H new ATOM 0 HB2 LEU A 38 22.053 29.944 3.041 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.821 30.569 4.486 1.00 25.00 H new ATOM 0 HG LEU A 38 24.343 28.581 4.483 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.522 27.275 2.394 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.937 27.066 3.176 1.00 25.00 H new ATOM 0 HD13 LEU A 38 23.094 28.125 1.755 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.764 29.345 2.639 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.403 30.291 1.991 1.00 25.00 H new ATOM 0 HD23 LEU A 38 25.095 30.700 3.578 1.00 25.00 H new ATOM 563 N LYS A 39 22.306 29.428 7.066 1.00 25.00 N ATOM 564 CA LYS A 39 22.830 29.129 8.413 1.00 25.00 C ATOM 565 C LYS A 39 21.913 28.183 9.183 1.00 25.00 C ATOM 566 O LYS A 39 22.384 27.443 10.036 1.00 25.00 O ATOM 567 CB LYS A 39 23.119 30.405 9.218 1.00 25.00 C ATOM 568 CG LYS A 39 21.958 31.403 9.241 1.00 25.00 C ATOM 569 CD LYS A 39 21.956 32.332 10.426 1.00 25.00 C ATOM 570 CE LYS A 39 22.971 33.447 10.287 1.00 25.00 C ATOM 571 NZ LYS A 39 22.810 34.390 11.444 1.00 25.00 N ATOM 0 H LYS A 39 21.978 30.384 6.931 1.00 25.00 H new ATOM 0 HA LYS A 39 23.781 28.617 8.269 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.367 30.128 10.243 1.00 25.00 H new ATOM 0 HB3 LYS A 39 23.998 30.895 8.799 1.00 25.00 H new ATOM 0 HG2 LYS A 39 21.989 31.999 8.329 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.019 30.849 9.228 1.00 25.00 H new ATOM 0 HD2 LYS A 39 20.962 32.762 10.545 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.167 31.763 11.331 1.00 25.00 H new ATOM 0 HE2 LYS A 39 23.981 33.038 10.270 1.00 25.00 H new ATOM 0 HE3 LYS A 39 22.825 33.976 9.345 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 23.502 35.162 11.361 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 21.848 34.785 11.439 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 22.968 33.877 12.335 1.00 25.00 H new ATOM 585 N GLU A 40 20.632 28.182 8.857 1.00 25.00 N ATOM 586 CA GLU A 40 19.677 27.281 9.504 1.00 25.00 C ATOM 587 C GLU A 40 19.759 25.859 8.955 1.00 25.00 C ATOM 588 O GLU A 40 19.850 24.892 9.706 1.00 25.00 O ATOM 589 CB GLU A 40 18.263 27.800 9.257 1.00 25.00 C ATOM 590 CG GLU A 40 17.930 29.039 10.043 1.00 25.00 C ATOM 591 CD GLU A 40 17.510 28.735 11.468 1.00 25.00 C ATOM 592 OE1 GLU A 40 18.112 29.302 12.414 1.00 25.00 O ATOM 593 OE2 GLU A 40 16.555 27.944 11.649 1.00 25.00 O ATOM 0 H GLU A 40 20.223 28.792 8.149 1.00 25.00 H new ATOM 0 HA GLU A 40 19.920 27.254 10.566 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.143 28.011 8.194 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.548 27.017 9.509 1.00 25.00 H new ATOM 0 HG2 GLU A 40 18.798 29.699 10.058 1.00 25.00 H new ATOM 0 HG3 GLU A 40 17.128 29.578 9.540 1.00 25.00 H new ATOM 600 N ARG A 41 19.686 25.729 7.637 1.00 25.00 N ATOM 601 CA ARG A 41 19.666 24.411 6.992 1.00 25.00 C ATOM 602 C ARG A 41 21.054 23.827 6.769 1.00 25.00 C ATOM 603 O ARG A 41 21.226 22.614 6.743 1.00 25.00 O ATOM 604 CB ARG A 41 18.954 24.515 5.638 1.00 25.00 C ATOM 605 CG ARG A 41 17.533 25.105 5.688 1.00 25.00 C ATOM 606 CD ARG A 41 16.473 24.133 6.241 1.00 25.00 C ATOM 607 NE ARG A 41 16.455 24.080 7.718 1.00 25.00 N ATOM 608 CZ ARG A 41 15.807 24.928 8.515 1.00 25.00 C ATOM 609 NH1 ARG A 41 15.114 25.937 8.055 1.00 25.00 N ATOM 610 NH2 ARG A 41 15.871 24.758 9.804 1.00 25.00 N ATOM 0 H ARG A 41 19.639 26.516 6.989 1.00 25.00 H new ATOM 0 HA ARG A 41 19.136 23.742 7.670 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.561 25.128 4.972 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.902 23.520 5.196 1.00 25.00 H new ATOM 0 HG2 ARG A 41 17.545 26.004 6.305 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.242 25.412 4.683 1.00 25.00 H new ATOM 0 HD2 ARG A 41 15.489 24.434 5.881 1.00 25.00 H new ATOM 0 HD3 ARG A 41 16.664 23.134 5.849 1.00 25.00 H new ATOM 0 HE ARG A 41 16.984 23.331 8.165 1.00 25.00 H new ATOM 0 HH11 ARG A 41 15.054 26.099 7.050 1.00 25.00 H new ATOM 0 HH12 ARG A 41 14.633 26.562 8.702 1.00 25.00 H new ATOM 0 HH21 ARG A 41 16.412 23.984 10.190 1.00 25.00 H new ATOM 0 HH22 ARG A 41 15.380 25.399 10.428 1.00 25.00 H new ATOM 624 N ASN A 42 22.034 24.691 6.556 1.00 25.00 N ATOM 625 CA ASN A 42 23.405 24.262 6.245 1.00 25.00 C ATOM 626 C ASN A 42 24.499 25.032 6.999 1.00 25.00 C ATOM 627 O ASN A 42 25.279 25.780 6.387 1.00 25.00 O ATOM 628 CB ASN A 42 23.647 24.442 4.747 1.00 25.00 C ATOM 629 CG ASN A 42 24.793 23.619 4.247 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.572 23.074 5.005 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.911 23.534 2.963 1.00 25.00 N ATOM 0 H ASN A 42 21.912 25.703 6.591 1.00 25.00 H new ATOM 0 HA ASN A 42 23.476 23.222 6.562 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.744 24.170 4.201 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.841 25.494 4.538 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.676 22.997 2.556 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.239 24.004 2.357 1.00 25.00 H new ATOM 638 N PRO A 43 24.609 24.844 8.326 1.00 25.00 N ATOM 639 CA PRO A 43 25.666 25.608 9.004 1.00 25.00 C ATOM 640 C PRO A 43 27.120 25.479 8.474 1.00 25.00 C ATOM 641 O PRO A 43 27.830 26.489 8.454 1.00 25.00 O ATOM 642 CB PRO A 43 25.537 25.164 10.471 1.00 25.00 C ATOM 643 CG PRO A 43 24.771 23.882 10.436 1.00 25.00 C ATOM 644 CD PRO A 43 23.838 24.013 9.271 1.00 25.00 C ATOM 0 HA PRO A 43 25.507 26.671 8.824 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.518 25.023 10.926 1.00 25.00 H new ATOM 0 HB3 PRO A 43 25.016 25.916 11.064 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.438 23.028 10.313 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.222 23.726 11.365 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.586 23.042 8.844 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.900 24.489 9.556 1.00 25.00 H new ATOM 652 N PRO A 44 27.577 24.287 7.998 1.00 25.00 N ATOM 653 CA PRO A 44 28.954 24.382 7.484 1.00 25.00 C ATOM 654 C PRO A 44 29.130 25.191 6.185 1.00 25.00 C ATOM 655 O PRO A 44 30.177 25.804 5.992 1.00 25.00 O ATOM 656 CB PRO A 44 29.345 22.915 7.274 1.00 25.00 C ATOM 657 CG PRO A 44 28.088 22.246 6.970 1.00 25.00 C ATOM 658 CD PRO A 44 27.077 22.900 7.880 1.00 25.00 C ATOM 0 HA PRO A 44 29.582 24.933 8.185 1.00 25.00 H new ATOM 0 HB2 PRO A 44 30.060 22.807 6.458 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.813 22.497 8.165 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.816 22.371 5.922 1.00 25.00 H new ATOM 0 HG3 PRO A 44 28.154 21.174 7.157 1.00 25.00 H new ATOM 0 HD2 PRO A 44 26.073 22.868 7.456 1.00 25.00 H new ATOM 0 HD3 PRO A 44 27.029 22.405 8.850 1.00 25.00 H new ATOM 666 N LEU A 45 28.140 25.237 5.297 1.00 25.00 N ATOM 667 CA LEU A 45 28.281 26.085 4.108 1.00 25.00 C ATOM 668 C LEU A 45 28.084 27.533 4.524 1.00 25.00 C ATOM 669 O LEU A 45 28.680 28.447 3.959 1.00 25.00 O ATOM 670 CB LEU A 45 27.292 25.702 3.011 1.00 25.00 C ATOM 671 CG LEU A 45 27.428 26.446 1.663 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.850 26.399 1.090 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.465 25.829 0.647 1.00 25.00 C ATOM 0 H LEU A 45 27.263 24.721 5.368 1.00 25.00 H new ATOM 0 HA LEU A 45 29.278 25.943 3.691 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.391 24.633 2.821 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.283 25.866 3.390 1.00 25.00 H new ATOM 0 HG LEU A 45 27.188 27.492 1.852 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.879 26.939 0.144 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.541 26.863 1.794 1.00 25.00 H new ATOM 0 HD13 LEU A 45 29.142 25.362 0.925 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.558 26.351 -0.305 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.708 24.775 0.509 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.442 25.920 1.013 1.00 25.00 H new ATOM 685 N ALA A 46 27.264 27.744 5.538 1.00 25.00 N ATOM 686 CA ALA A 46 27.045 29.092 6.024 1.00 25.00 C ATOM 687 C ALA A 46 28.312 29.705 6.611 1.00 25.00 C ATOM 688 O ALA A 46 28.663 30.802 6.240 1.00 25.00 O ATOM 689 CB ALA A 46 25.962 29.101 7.038 1.00 25.00 C ATOM 0 H ALA A 46 26.749 27.015 6.032 1.00 25.00 H new ATOM 0 HA ALA A 46 26.751 29.701 5.169 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.807 30.119 7.396 1.00 25.00 H new ATOM 0 HB2 ALA A 46 25.041 28.729 6.590 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.242 28.461 7.875 1.00 25.00 H new ATOM 695 N GLU A 47 29.014 29.007 7.497 1.00 25.00 N ATOM 696 CA GLU A 47 30.239 29.578 8.095 1.00 25.00 C ATOM 697 C GLU A 47 31.298 29.903 7.029 1.00 25.00 C ATOM 698 O GLU A 47 32.021 30.898 7.132 1.00 25.00 O ATOM 699 CB GLU A 47 30.818 28.699 9.200 1.00 25.00 C ATOM 700 CG GLU A 47 31.246 27.336 8.764 1.00 25.00 C ATOM 701 CD GLU A 47 32.637 26.978 9.277 1.00 25.00 C ATOM 702 OE1 GLU A 47 32.761 26.026 10.071 1.00 25.00 O ATOM 703 OE2 GLU A 47 33.615 27.666 8.883 1.00 25.00 O ATOM 0 H GLU A 47 28.774 28.069 7.818 1.00 25.00 H new ATOM 0 HA GLU A 47 29.940 30.516 8.562 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.676 29.210 9.638 1.00 25.00 H new ATOM 0 HB3 GLU A 47 30.073 28.594 9.988 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.527 26.599 9.123 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.238 27.285 7.675 1.00 25.00 H new ATOM 710 N ALA A 48 31.315 29.112 5.967 1.00 25.00 N ATOM 711 CA ALA A 48 32.136 29.353 4.811 1.00 25.00 C ATOM 712 C ALA A 48 31.830 30.700 4.172 1.00 25.00 C ATOM 713 O ALA A 48 32.736 31.467 3.847 1.00 25.00 O ATOM 714 CB ALA A 48 31.925 28.209 3.815 1.00 25.00 C ATOM 0 H ALA A 48 30.744 28.270 5.892 1.00 25.00 H new ATOM 0 HA ALA A 48 33.182 29.387 5.117 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.541 28.377 2.932 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.208 27.265 4.280 1.00 25.00 H new ATOM 0 HB3 ALA A 48 30.876 28.170 3.523 1.00 25.00 H new ATOM 720 N LEU A 49 30.550 31.001 4.043 1.00 25.00 N ATOM 721 CA LEU A 49 30.112 32.276 3.507 1.00 25.00 C ATOM 722 C LEU A 49 30.501 33.412 4.452 1.00 25.00 C ATOM 723 O LEU A 49 30.971 34.456 4.012 1.00 25.00 O ATOM 724 CB LEU A 49 28.586 32.263 3.356 1.00 25.00 C ATOM 725 CG LEU A 49 27.961 33.540 2.796 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.143 33.570 1.301 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.489 33.596 3.175 1.00 25.00 C ATOM 0 H LEU A 49 29.790 30.373 4.305 1.00 25.00 H new ATOM 0 HA LEU A 49 30.589 32.432 2.540 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.311 31.432 2.707 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.145 32.064 4.333 1.00 25.00 H new ATOM 0 HG LEU A 49 28.453 34.415 3.220 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.698 34.480 0.898 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.207 33.550 1.063 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.656 32.701 0.858 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.045 34.507 2.775 1.00 25.00 H new ATOM 0 HD22 LEU A 49 25.974 32.729 2.761 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.392 33.592 4.261 1.00 25.00 H new ATOM 739 N LEU A 50 30.292 33.205 5.748 1.00 25.00 N ATOM 740 CA LEU A 50 30.520 34.256 6.751 1.00 25.00 C ATOM 741 C LEU A 50 31.981 34.666 6.795 1.00 25.00 C ATOM 742 O LEU A 50 32.312 35.806 7.101 1.00 25.00 O ATOM 743 CB LEU A 50 30.131 33.788 8.166 1.00 25.00 C ATOM 744 CG LEU A 50 28.768 33.124 8.412 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.500 33.019 9.896 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.611 33.796 7.693 1.00 25.00 C ATOM 0 H LEU A 50 29.965 32.320 6.135 1.00 25.00 H new ATOM 0 HA LEU A 50 29.896 35.098 6.452 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.897 33.086 8.496 1.00 25.00 H new ATOM 0 HB3 LEU A 50 30.190 34.657 8.822 1.00 25.00 H new ATOM 0 HG LEU A 50 28.832 32.125 7.980 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.531 32.547 10.058 1.00 25.00 H new ATOM 0 HD12 LEU A 50 29.279 32.418 10.365 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.496 34.016 10.336 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.685 33.267 7.919 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.528 34.831 8.025 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.789 33.774 6.618 1.00 25.00 H new ATOM 758 N SER A 51 32.854 33.715 6.507 1.00 25.00 N ATOM 759 CA SER A 51 34.281 33.949 6.521 1.00 25.00 C ATOM 760 C SER A 51 34.734 34.806 5.343 1.00 25.00 C ATOM 761 O SER A 51 35.798 35.409 5.378 1.00 25.00 O ATOM 762 CB SER A 51 34.980 32.615 6.444 1.00 25.00 C ATOM 763 OG SER A 51 34.612 31.776 7.531 1.00 25.00 O ATOM 0 H SER A 51 32.590 32.762 6.258 1.00 25.00 H new ATOM 0 HA SER A 51 34.530 34.483 7.438 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.730 32.125 5.503 1.00 25.00 H new ATOM 0 HB3 SER A 51 36.059 32.767 6.448 1.00 25.00 H new ATOM 0 HG SER A 51 33.694 31.459 7.403 1.00 25.00 H new ATOM 769 N GLY A 52 33.947 34.798 4.273 1.00 25.00 N ATOM 770 CA GLY A 52 34.279 35.549 3.068 1.00 25.00 C ATOM 771 C GLY A 52 35.190 34.772 2.137 1.00 25.00 C ATOM 772 O GLY A 52 35.277 35.065 0.937 1.00 25.00 O ATOM 0 H GLY A 52 33.072 34.278 4.216 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.361 35.809 2.541 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.762 36.485 3.348 1.00 25.00 H new ATOM 776 N ASP A 53 35.861 33.770 2.689 1.00 25.00 N ATOM 777 CA ASP A 53 36.789 32.933 1.935 1.00 25.00 C ATOM 778 C ASP A 53 36.072 32.162 0.835 1.00 25.00 C ATOM 779 O ASP A 53 35.262 31.273 1.107 1.00 25.00 O ATOM 780 CB ASP A 53 37.453 31.900 2.841 1.00 25.00 C ATOM 781 CG ASP A 53 38.519 31.125 2.124 1.00 25.00 C ATOM 782 OD1 ASP A 53 38.841 30.015 2.577 1.00 25.00 O ATOM 783 OD2 ASP A 53 38.974 31.582 1.056 1.00 25.00 O ATOM 0 H ASP A 53 35.778 33.513 3.673 1.00 25.00 H new ATOM 0 HA ASP A 53 37.531 33.607 1.506 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.889 32.402 3.705 1.00 25.00 H new ATOM 0 HB3 ASP A 53 36.698 31.212 3.220 1.00 25.00 H new ATOM 788 N LEU A 54 36.396 32.468 -0.409 1.00 25.00 N ATOM 789 CA LEU A 54 35.813 31.745 -1.524 1.00 25.00 C ATOM 790 C LEU A 54 36.309 30.309 -1.509 1.00 25.00 C ATOM 791 O LEU A 54 35.567 29.403 -1.829 1.00 25.00 O ATOM 792 CB LEU A 54 36.185 32.406 -2.851 1.00 25.00 C ATOM 793 CG LEU A 54 35.576 31.827 -4.146 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.433 30.711 -4.760 1.00 25.00 C ATOM 795 CD2 LEU A 54 34.123 31.349 -3.993 1.00 25.00 C ATOM 0 H LEU A 54 37.052 33.204 -0.670 1.00 25.00 H new ATOM 0 HA LEU A 54 34.728 31.761 -1.424 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.903 33.457 -2.791 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.270 32.372 -2.948 1.00 25.00 H new ATOM 0 HG LEU A 54 35.566 32.673 -4.833 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.955 30.343 -5.668 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.421 31.103 -5.003 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.533 29.894 -4.045 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.767 30.956 -4.945 1.00 25.00 H new ATOM 0 HD22 LEU A 54 34.075 30.565 -3.237 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.495 32.186 -3.688 1.00 25.00 H new ATOM 807 N GLU A 55 37.555 30.095 -1.129 1.00 25.00 N ATOM 808 CA GLU A 55 38.119 28.747 -1.148 1.00 25.00 C ATOM 809 C GLU A 55 37.313 27.827 -0.251 1.00 25.00 C ATOM 810 O GLU A 55 36.844 26.779 -0.692 1.00 25.00 O ATOM 811 CB GLU A 55 39.574 28.752 -0.689 1.00 25.00 C ATOM 812 CG GLU A 55 40.473 29.667 -1.482 1.00 25.00 C ATOM 813 CD GLU A 55 40.757 29.135 -2.884 1.00 25.00 C ATOM 814 OE1 GLU A 55 41.826 28.521 -3.086 1.00 25.00 O ATOM 815 OE2 GLU A 55 39.903 29.327 -3.781 1.00 25.00 O ATOM 0 H GLU A 55 38.193 30.823 -0.807 1.00 25.00 H new ATOM 0 HA GLU A 55 38.078 28.385 -2.175 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.611 29.046 0.360 1.00 25.00 H new ATOM 0 HB3 GLU A 55 39.965 27.736 -0.749 1.00 25.00 H new ATOM 0 HG2 GLU A 55 40.010 30.651 -1.557 1.00 25.00 H new ATOM 0 HG3 GLU A 55 41.415 29.798 -0.949 1.00 25.00 H new ATOM 822 N LYS A 56 37.100 28.230 0.996 1.00 25.00 N ATOM 823 CA LYS A 56 36.292 27.414 1.906 1.00 25.00 C ATOM 824 C LYS A 56 34.852 27.351 1.413 1.00 25.00 C ATOM 825 O LYS A 56 34.254 26.289 1.454 1.00 25.00 O ATOM 826 CB LYS A 56 36.409 27.860 3.386 1.00 25.00 C ATOM 827 CG LYS A 56 35.525 28.900 3.869 1.00 25.00 C ATOM 828 CD LYS A 56 36.032 29.394 5.238 1.00 25.00 C ATOM 829 CE LYS A 56 35.395 28.623 6.407 1.00 25.00 C ATOM 830 NZ LYS A 56 35.833 29.079 7.761 1.00 25.00 N ATOM 0 H LYS A 56 37.464 29.095 1.397 1.00 25.00 H new ATOM 0 HA LYS A 56 36.694 26.401 1.893 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.256 26.979 4.010 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.434 28.194 3.551 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.493 29.726 3.159 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.508 28.518 3.960 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.116 29.287 5.282 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.812 30.456 5.343 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.311 28.716 6.339 1.00 25.00 H new ATOM 0 HE3 LYS A 56 35.632 27.564 6.300 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.333 28.532 8.490 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 36.858 28.934 7.862 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.614 30.089 7.875 1.00 25.00 H new ATOM 844 N PHE A 57 34.309 28.439 0.882 1.00 25.00 N ATOM 845 CA PHE A 57 32.954 28.400 0.340 1.00 25.00 C ATOM 846 C PHE A 57 32.822 27.373 -0.783 1.00 25.00 C ATOM 847 O PHE A 57 31.964 26.514 -0.721 1.00 25.00 O ATOM 848 CB PHE A 57 32.522 29.783 -0.136 1.00 25.00 C ATOM 849 CG PHE A 57 31.089 29.835 -0.580 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.757 29.706 -1.940 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.058 29.992 0.363 1.00 25.00 C ATOM 852 CE1 PHE A 57 29.407 29.739 -2.358 1.00 25.00 C ATOM 853 CE2 PHE A 57 28.703 30.021 -0.044 1.00 25.00 C ATOM 854 CZ PHE A 57 28.381 29.890 -1.409 1.00 25.00 C ATOM 0 H PHE A 57 34.774 29.344 0.815 1.00 25.00 H new ATOM 0 HA PHE A 57 32.289 28.089 1.145 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.672 30.501 0.670 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.163 30.093 -0.962 1.00 25.00 H new ATOM 0 HD1 PHE A 57 31.541 29.580 -2.672 1.00 25.00 H new ATOM 0 HD2 PHE A 57 30.303 30.092 1.410 1.00 25.00 H new ATOM 0 HE1 PHE A 57 29.164 29.648 -3.406 1.00 25.00 H new ATOM 0 HE2 PHE A 57 27.919 30.143 0.689 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.349 29.906 -1.726 1.00 25.00 H new ATOM 864 N SER A 58 33.692 27.428 -1.780 1.00 25.00 N ATOM 865 CA SER A 58 33.670 26.472 -2.887 1.00 25.00 C ATOM 866 C SER A 58 33.958 25.044 -2.443 1.00 25.00 C ATOM 867 O SER A 58 33.323 24.099 -2.918 1.00 25.00 O ATOM 868 CB SER A 58 34.715 26.880 -3.930 1.00 25.00 C ATOM 869 OG SER A 58 34.653 26.037 -5.066 1.00 25.00 O ATOM 0 H SER A 58 34.430 28.129 -1.849 1.00 25.00 H new ATOM 0 HA SER A 58 32.663 26.492 -3.304 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.549 27.915 -4.231 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.711 26.831 -3.490 1.00 25.00 H new ATOM 0 HG SER A 58 35.328 26.317 -5.719 1.00 25.00 H new ATOM 875 N ARG A 59 34.902 24.878 -1.529 1.00 25.00 N ATOM 876 CA ARG A 59 35.259 23.550 -1.029 1.00 25.00 C ATOM 877 C ARG A 59 34.059 22.908 -0.353 1.00 25.00 C ATOM 878 O ARG A 59 33.750 21.748 -0.596 1.00 25.00 O ATOM 879 CB ARG A 59 36.433 23.668 -0.048 1.00 25.00 C ATOM 880 CG ARG A 59 36.857 22.353 0.581 1.00 25.00 C ATOM 881 CD ARG A 59 36.545 22.348 2.073 1.00 25.00 C ATOM 882 NE ARG A 59 36.577 20.983 2.611 1.00 25.00 N ATOM 883 CZ ARG A 59 37.633 20.366 3.118 1.00 25.00 C ATOM 884 NH1 ARG A 59 38.808 20.942 3.226 1.00 25.00 N ATOM 885 NH2 ARG A 59 37.502 19.137 3.519 1.00 25.00 N ATOM 0 H ARG A 59 35.437 25.642 -1.116 1.00 25.00 H new ATOM 0 HA ARG A 59 35.561 22.918 -1.864 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.287 24.099 -0.571 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.160 24.365 0.744 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.340 21.527 0.093 1.00 25.00 H new ATOM 0 HG3 ARG A 59 37.925 22.197 0.426 1.00 25.00 H new ATOM 0 HD2 ARG A 59 37.269 22.968 2.602 1.00 25.00 H new ATOM 0 HD3 ARG A 59 35.562 22.788 2.244 1.00 25.00 H new ATOM 0 HE ARG A 59 35.702 20.459 2.593 1.00 25.00 H new ATOM 0 HH11 ARG A 59 38.935 21.904 2.913 1.00 25.00 H new ATOM 0 HH12 ARG A 59 39.594 20.427 3.623 1.00 25.00 H new ATOM 0 HH21 ARG A 59 36.600 18.668 3.440 1.00 25.00 H new ATOM 0 HH22 ARG A 59 38.302 18.641 3.913 1.00 25.00 H new ATOM 899 N VAL A 60 33.357 23.665 0.469 1.00 25.00 N ATOM 900 CA VAL A 60 32.193 23.128 1.156 1.00 25.00 C ATOM 901 C VAL A 60 31.039 22.986 0.163 1.00 25.00 C ATOM 902 O VAL A 60 30.267 22.042 0.244 1.00 25.00 O ATOM 903 CB VAL A 60 31.793 24.002 2.377 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.573 23.414 3.080 1.00 25.00 C ATOM 905 CG2 VAL A 60 32.961 24.075 3.384 1.00 25.00 C ATOM 0 H VAL A 60 33.567 24.641 0.677 1.00 25.00 H new ATOM 0 HA VAL A 60 32.442 22.143 1.551 1.00 25.00 H new ATOM 0 HB VAL A 60 31.555 25.002 2.014 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.308 24.039 3.932 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.735 23.375 2.384 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.803 22.407 3.427 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.669 24.690 4.235 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.207 23.071 3.729 1.00 25.00 H new ATOM 0 HG23 VAL A 60 33.832 24.516 2.899 1.00 25.00 H new ATOM 915 N LEU A 61 30.939 23.891 -0.802 1.00 25.00 N ATOM 916 CA LEU A 61 29.870 23.835 -1.805 1.00 25.00 C ATOM 917 C LEU A 61 29.873 22.493 -2.533 1.00 25.00 C ATOM 918 O LEU A 61 28.825 21.866 -2.680 1.00 25.00 O ATOM 919 CB LEU A 61 30.027 24.974 -2.829 1.00 25.00 C ATOM 920 CG LEU A 61 28.805 25.243 -3.721 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.038 26.420 -3.164 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.188 25.569 -5.161 1.00 25.00 C ATOM 0 H LEU A 61 31.582 24.674 -0.916 1.00 25.00 H new ATOM 0 HA LEU A 61 28.920 23.950 -1.282 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.269 25.890 -2.291 1.00 25.00 H new ATOM 0 HB3 LEU A 61 30.878 24.746 -3.470 1.00 25.00 H new ATOM 0 HG LEU A 61 28.205 24.333 -3.727 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.169 26.618 -3.791 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.709 26.193 -2.150 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.682 27.299 -3.148 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.286 25.750 -5.745 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.816 26.460 -5.178 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.736 24.731 -5.590 1.00 25.00 H new ATOM 934 N VAL A 62 31.036 22.037 -2.974 1.00 25.00 N ATOM 935 CA VAL A 62 31.106 20.768 -3.699 1.00 25.00 C ATOM 936 C VAL A 62 30.890 19.579 -2.756 1.00 25.00 C ATOM 937 O VAL A 62 30.236 18.614 -3.121 1.00 25.00 O ATOM 938 CB VAL A 62 32.433 20.637 -4.526 1.00 25.00 C ATOM 939 CG1 VAL A 62 33.677 20.545 -3.637 1.00 25.00 C ATOM 940 CG2 VAL A 62 32.360 19.430 -5.455 1.00 25.00 C ATOM 0 H VAL A 62 31.930 22.512 -2.849 1.00 25.00 H new ATOM 0 HA VAL A 62 30.291 20.758 -4.423 1.00 25.00 H new ATOM 0 HB VAL A 62 32.530 21.548 -5.117 1.00 25.00 H new ATOM 0 HG11 VAL A 62 34.565 20.456 -4.262 1.00 25.00 H new ATOM 0 HG12 VAL A 62 33.753 21.443 -3.024 1.00 25.00 H new ATOM 0 HG13 VAL A 62 33.599 19.670 -2.991 1.00 25.00 H new ATOM 0 HG21 VAL A 62 33.287 19.351 -6.023 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.218 18.525 -4.865 1.00 25.00 H new ATOM 0 HG23 VAL A 62 31.523 19.550 -6.143 1.00 25.00 H new ATOM 950 N GLU A 63 31.378 19.663 -1.529 1.00 25.00 N ATOM 951 CA GLU A 63 31.156 18.593 -0.544 1.00 25.00 C ATOM 952 C GLU A 63 29.666 18.442 -0.235 1.00 25.00 C ATOM 953 O GLU A 63 29.145 17.333 -0.147 1.00 25.00 O ATOM 954 CB GLU A 63 31.915 18.890 0.750 1.00 25.00 C ATOM 955 CG GLU A 63 33.412 18.645 0.644 1.00 25.00 C ATOM 956 CD GLU A 63 34.153 19.014 1.920 1.00 25.00 C ATOM 957 OE1 GLU A 63 33.873 20.088 2.491 1.00 25.00 O ATOM 958 OE2 GLU A 63 35.074 18.271 2.320 1.00 25.00 O ATOM 0 H GLU A 63 31.927 20.450 -1.184 1.00 25.00 H new ATOM 0 HA GLU A 63 31.526 17.662 -0.973 1.00 25.00 H new ATOM 0 HB2 GLU A 63 31.744 19.929 1.032 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.509 18.271 1.550 1.00 25.00 H new ATOM 0 HG2 GLU A 63 33.590 17.594 0.415 1.00 25.00 H new ATOM 0 HG3 GLU A 63 33.814 19.225 -0.187 1.00 25.00 H new