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 -130:sc= 0.0715 USER MOD Set 1.2: A 56 LYS NZ :NH3+ 145:sc= 0.073 (180deg=-0.197) USER MOD Single : A 27 MET CE :methyl -177:sc= -0.274 (180deg=-0.29) USER MOD Single : A 31 ASN : amide:sc= -1.41 K(o=-1.4,f=-7.5!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot -25:sc= 1.25 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0932 K(o=-0.093,f=-4.3!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0156 USER MOD ----------------------------------------------------------------- ATOM 272 N PRO A 21 30.400 28.918 -7.411 1.00 25.00 N ATOM 273 CA PRO A 21 30.468 29.373 -6.020 1.00 25.00 C ATOM 274 C PRO A 21 30.816 30.848 -5.881 1.00 25.00 C ATOM 275 O PRO A 21 30.430 31.476 -4.912 1.00 25.00 O ATOM 276 CB PRO A 21 31.599 28.523 -5.429 1.00 25.00 C ATOM 277 CG PRO A 21 32.385 28.091 -6.592 1.00 25.00 C ATOM 278 CD PRO A 21 31.409 27.881 -7.682 1.00 25.00 C ATOM 0 HA PRO A 21 29.503 29.264 -5.524 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.207 29.101 -4.733 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.206 27.669 -4.877 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.123 28.845 -6.867 1.00 25.00 H new ATOM 0 HG3 PRO A 21 32.932 27.174 -6.375 1.00 25.00 H new ATOM 0 HD2 PRO A 21 31.865 28.005 -8.664 1.00 25.00 H new ATOM 0 HD3 PRO A 21 30.979 26.880 -7.654 1.00 25.00 H new ATOM 286 N ALA A 22 31.542 31.403 -6.841 1.00 25.00 N ATOM 287 CA ALA A 22 31.932 32.806 -6.768 1.00 25.00 C ATOM 288 C ALA A 22 30.696 33.705 -6.815 1.00 25.00 C ATOM 289 O ALA A 22 30.576 34.648 -6.028 1.00 25.00 O ATOM 290 CB ALA A 22 32.891 33.138 -7.912 1.00 25.00 C ATOM 0 H ALA A 22 31.871 30.911 -7.672 1.00 25.00 H new ATOM 0 HA ALA A 22 32.444 32.985 -5.823 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.179 34.188 -7.852 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.780 32.513 -7.834 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.398 32.951 -8.866 1.00 25.00 H new ATOM 296 N LEU A 23 29.775 33.391 -7.717 1.00 25.00 N ATOM 297 CA LEU A 23 28.553 34.184 -7.858 1.00 25.00 C ATOM 298 C LEU A 23 27.572 33.862 -6.749 1.00 25.00 C ATOM 299 O LEU A 23 26.886 34.742 -6.249 1.00 25.00 O ATOM 300 CB LEU A 23 27.866 33.922 -9.204 1.00 25.00 C ATOM 301 CG LEU A 23 28.647 34.275 -10.482 1.00 25.00 C ATOM 302 CD1 LEU A 23 27.768 33.986 -11.701 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.090 35.722 -10.505 1.00 25.00 C ATOM 0 H LEU A 23 29.846 32.601 -8.358 1.00 25.00 H new ATOM 0 HA LEU A 23 28.848 35.232 -7.802 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.608 32.864 -9.249 1.00 25.00 H new ATOM 0 HB3 LEU A 23 26.929 34.480 -9.218 1.00 25.00 H new ATOM 0 HG LEU A 23 29.548 33.661 -10.503 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.315 34.234 -12.611 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.501 32.929 -11.715 1.00 25.00 H new ATOM 0 HD13 LEU A 23 26.861 34.589 -11.647 1.00 25.00 H new ATOM 0 HD21 LEU A 23 29.637 35.921 -11.427 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.216 36.371 -10.455 1.00 25.00 H new ATOM 0 HD23 LEU A 23 29.737 35.918 -9.650 1.00 25.00 H new ATOM 315 N LEU A 24 27.505 32.600 -6.351 1.00 25.00 N ATOM 316 CA LEU A 24 26.574 32.201 -5.304 1.00 25.00 C ATOM 317 C LEU A 24 26.957 32.850 -3.987 1.00 25.00 C ATOM 318 O LEU A 24 26.102 33.355 -3.273 1.00 25.00 O ATOM 319 CB LEU A 24 26.548 30.681 -5.154 1.00 25.00 C ATOM 320 CG LEU A 24 25.582 30.169 -4.071 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.154 30.674 -4.266 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.597 28.664 -4.041 1.00 25.00 C ATOM 0 H LEU A 24 28.075 31.844 -6.730 1.00 25.00 H new ATOM 0 HA LEU A 24 25.576 32.536 -5.586 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.271 30.238 -6.111 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.554 30.333 -4.921 1.00 25.00 H new ATOM 0 HG LEU A 24 25.932 30.564 -3.117 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.518 30.281 -3.473 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.145 31.763 -4.232 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.778 30.339 -5.233 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.911 28.309 -3.272 1.00 25.00 H new ATOM 0 HD22 LEU A 24 25.286 28.278 -5.012 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.605 28.315 -3.818 1.00 25.00 H new ATOM 334 N ARG A 25 28.250 32.891 -3.695 1.00 25.00 N ATOM 335 CA ARG A 25 28.748 33.568 -2.504 1.00 25.00 C ATOM 336 C ARG A 25 28.310 35.026 -2.529 1.00 25.00 C ATOM 337 O ARG A 25 27.866 35.552 -1.527 1.00 25.00 O ATOM 338 CB ARG A 25 30.276 33.481 -2.479 1.00 25.00 C ATOM 339 CG ARG A 25 30.953 34.199 -1.313 1.00 25.00 C ATOM 340 CD ARG A 25 32.377 34.584 -1.669 1.00 25.00 C ATOM 341 NE ARG A 25 32.396 35.548 -2.787 1.00 25.00 N ATOM 342 CZ ARG A 25 33.412 36.331 -3.121 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.541 36.341 -2.451 1.00 25.00 N ATOM 344 NH2 ARG A 25 33.282 37.125 -4.146 1.00 25.00 N ATOM 0 H ARG A 25 28.976 32.462 -4.269 1.00 25.00 H new ATOM 0 HA ARG A 25 28.345 33.091 -1.611 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.563 32.430 -2.452 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.662 33.893 -3.411 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.385 35.092 -1.051 1.00 25.00 H new ATOM 0 HG3 ARG A 25 30.955 33.553 -0.435 1.00 25.00 H new ATOM 0 HD2 ARG A 25 32.869 35.019 -0.799 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.942 33.693 -1.942 1.00 25.00 H new ATOM 0 HE ARG A 25 31.551 35.618 -3.354 1.00 25.00 H new ATOM 0 HH11 ARG A 25 34.659 35.731 -1.642 1.00 25.00 H new ATOM 0 HH12 ARG A 25 35.300 36.958 -2.740 1.00 25.00 H new ATOM 0 HH21 ARG A 25 32.410 37.136 -4.675 1.00 25.00 H new ATOM 0 HH22 ARG A 25 34.052 37.735 -4.419 1.00 25.00 H new ATOM 358 N ASP A 26 28.452 35.672 -3.675 1.00 25.00 N ATOM 359 CA ASP A 26 28.121 37.093 -3.787 1.00 25.00 C ATOM 360 C ASP A 26 26.621 37.336 -3.598 1.00 25.00 C ATOM 361 O ASP A 26 26.214 38.229 -2.859 1.00 25.00 O ATOM 362 CB ASP A 26 28.572 37.623 -5.147 1.00 25.00 C ATOM 363 CG ASP A 26 28.774 39.120 -5.143 1.00 25.00 C ATOM 364 OD1 ASP A 26 28.125 39.821 -5.942 1.00 25.00 O ATOM 365 OD2 ASP A 26 29.641 39.585 -4.370 1.00 25.00 O ATOM 0 H ASP A 26 28.791 35.244 -4.537 1.00 25.00 H new ATOM 0 HA ASP A 26 28.647 37.627 -2.995 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.503 37.134 -5.434 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.829 37.361 -5.901 1.00 25.00 H new ATOM 370 N MET A 27 25.806 36.487 -4.215 1.00 25.00 N ATOM 371 CA MET A 27 24.348 36.568 -4.086 1.00 25.00 C ATOM 372 C MET A 27 23.954 36.408 -2.634 1.00 25.00 C ATOM 373 O MET A 27 23.190 37.194 -2.094 1.00 25.00 O ATOM 374 CB MET A 27 23.692 35.455 -4.914 1.00 25.00 C ATOM 375 CG MET A 27 22.164 35.526 -4.998 1.00 25.00 C ATOM 376 SD MET A 27 21.244 35.010 -3.503 1.00 25.00 S ATOM 377 CE MET A 27 21.524 33.222 -3.461 1.00 25.00 C ATOM 0 H MET A 27 26.130 35.728 -4.815 1.00 25.00 H new ATOM 0 HA MET A 27 24.012 37.539 -4.450 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.098 35.487 -5.925 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.973 34.492 -4.488 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.882 36.552 -5.236 1.00 25.00 H new ATOM 0 HG3 MET A 27 21.838 34.904 -5.832 1.00 25.00 H new ATOM 0 HE1 MET A 27 20.971 32.787 -2.628 1.00 25.00 H new ATOM 0 HE2 MET A 27 21.181 32.778 -4.396 1.00 25.00 H new ATOM 0 HE3 MET A 27 22.588 33.023 -3.334 1.00 25.00 H new ATOM 387 N LEU A 28 24.495 35.379 -2.009 1.00 25.00 N ATOM 388 CA LEU A 28 24.198 35.074 -0.620 1.00 25.00 C ATOM 389 C LEU A 28 24.578 36.213 0.305 1.00 25.00 C ATOM 390 O LEU A 28 23.820 36.574 1.190 1.00 25.00 O ATOM 391 CB LEU A 28 24.954 33.837 -0.198 1.00 25.00 C ATOM 392 CG LEU A 28 24.216 32.537 -0.481 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.205 31.426 -0.465 1.00 25.00 C ATOM 394 CD2 LEU A 28 23.143 32.305 0.564 1.00 25.00 C ATOM 0 H LEU A 28 25.151 34.732 -2.447 1.00 25.00 H new ATOM 0 HA LEU A 28 23.122 34.914 -0.545 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.915 33.817 -0.712 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.165 33.899 0.870 1.00 25.00 H new ATOM 0 HG LEU A 28 23.730 32.587 -1.455 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.696 30.483 -0.666 1.00 25.00 H new ATOM 0 HD12 LEU A 28 25.961 31.601 -1.230 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.683 31.379 0.513 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.622 31.372 0.350 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.603 32.246 1.551 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.431 33.130 0.544 1.00 25.00 H new ATOM 406 N LEU A 29 25.750 36.789 0.092 1.00 25.00 N ATOM 407 CA LEU A 29 26.217 37.891 0.939 1.00 25.00 C ATOM 408 C LEU A 29 25.298 39.100 0.801 1.00 25.00 C ATOM 409 O LEU A 29 25.035 39.808 1.773 1.00 25.00 O ATOM 410 CB LEU A 29 27.649 38.294 0.563 1.00 25.00 C ATOM 411 CG LEU A 29 28.762 37.340 1.030 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.063 37.669 0.300 1.00 25.00 C ATOM 413 CD2 LEU A 29 28.978 37.416 2.545 1.00 25.00 C ATOM 0 H LEU A 29 26.395 36.520 -0.651 1.00 25.00 H new ATOM 0 HA LEU A 29 26.203 37.547 1.973 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.707 38.385 -0.522 1.00 25.00 H new ATOM 0 HB3 LEU A 29 27.848 39.283 0.977 1.00 25.00 H new ATOM 0 HG LEU A 29 28.453 36.322 0.792 1.00 25.00 H new ATOM 0 HD11 LEU A 29 30.849 36.991 0.634 1.00 25.00 H new ATOM 0 HD12 LEU A 29 29.917 37.554 -0.774 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.353 38.697 0.519 1.00 25.00 H new ATOM 0 HD21 LEU A 29 29.772 36.727 2.834 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.260 38.432 2.822 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.056 37.143 3.058 1.00 25.00 H new ATOM 425 N ALA A 30 24.798 39.317 -0.404 1.00 25.00 N ATOM 426 CA ALA A 30 23.898 40.429 -0.681 1.00 25.00 C ATOM 427 C ALA A 30 22.455 40.139 -0.234 1.00 25.00 C ATOM 428 O ALA A 30 21.625 41.049 -0.191 1.00 25.00 O ATOM 429 CB ALA A 30 23.927 40.739 -2.185 1.00 25.00 C ATOM 0 H ALA A 30 25.002 38.732 -1.215 1.00 25.00 H new ATOM 0 HA ALA A 30 24.244 41.290 -0.109 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.255 41.570 -2.398 1.00 25.00 H new ATOM 0 HB2 ALA A 30 24.941 41.007 -2.482 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.605 39.860 -2.744 1.00 25.00 H new ATOM 435 N ASN A 31 22.141 38.881 0.052 1.00 25.00 N ATOM 436 CA ASN A 31 20.769 38.484 0.363 1.00 25.00 C ATOM 437 C ASN A 31 20.612 38.079 1.828 1.00 25.00 C ATOM 438 O ASN A 31 20.895 36.938 2.205 1.00 25.00 O ATOM 439 CB ASN A 31 20.357 37.332 -0.551 1.00 25.00 C ATOM 440 CG ASN A 31 18.877 37.090 -0.538 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.210 37.227 0.487 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.348 36.720 -1.670 1.00 25.00 N ATOM 0 H ASN A 31 22.816 38.117 0.076 1.00 25.00 H new ATOM 0 HA ASN A 31 20.119 39.343 0.194 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.678 37.548 -1.570 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.873 36.424 -0.241 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.347 36.533 -1.728 1.00 25.00 H new ATOM 0 HD22 ASN A 31 18.935 36.618 -2.498 1.00 25.00 H new ATOM 449 N PRO A 32 20.118 38.997 2.679 1.00 25.00 N ATOM 450 CA PRO A 32 20.034 38.656 4.103 1.00 25.00 C ATOM 451 C PRO A 32 19.076 37.512 4.438 1.00 25.00 C ATOM 452 O PRO A 32 19.251 36.834 5.447 1.00 25.00 O ATOM 453 CB PRO A 32 19.582 39.974 4.742 1.00 25.00 C ATOM 454 CG PRO A 32 18.849 40.673 3.654 1.00 25.00 C ATOM 455 CD PRO A 32 19.651 40.374 2.433 1.00 25.00 C ATOM 0 HA PRO A 32 20.987 38.276 4.472 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.941 39.799 5.606 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.432 40.560 5.090 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.827 40.306 3.561 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.787 41.745 3.839 1.00 25.00 H new ATOM 0 HD2 PRO A 32 19.049 40.441 1.527 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.483 41.068 2.315 1.00 25.00 H new ATOM 463 N HIS A 33 18.073 37.278 3.603 1.00 25.00 N ATOM 464 CA HIS A 33 17.142 36.182 3.845 1.00 25.00 C ATOM 465 C HIS A 33 17.769 34.840 3.489 1.00 25.00 C ATOM 466 O HIS A 33 17.636 33.864 4.222 1.00 25.00 O ATOM 467 CB HIS A 33 15.869 36.371 3.017 1.00 25.00 C ATOM 468 CG HIS A 33 14.857 35.291 3.230 1.00 25.00 C ATOM 469 ND1 HIS A 33 14.065 35.179 4.345 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.516 34.227 2.447 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.300 34.101 4.206 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.527 33.485 3.065 1.00 25.00 N ATOM 0 H HIS A 33 17.883 37.824 2.762 1.00 25.00 H new ATOM 0 HA HIS A 33 16.896 36.189 4.907 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.421 37.333 3.267 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.134 36.408 1.960 1.00 25.00 H new ATOM 0 HD2 HIS A 33 14.954 33.998 1.487 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.580 33.771 4.940 1.00 25.00 H new ATOM 0 HE2 HIS A 33 13.072 32.643 2.713 1.00 25.00 H new ATOM 480 N GLU A 34 18.443 34.787 2.356 1.00 25.00 N ATOM 481 CA GLU A 34 18.985 33.526 1.862 1.00 25.00 C ATOM 482 C GLU A 34 20.155 33.125 2.740 1.00 25.00 C ATOM 483 O GLU A 34 20.286 31.984 3.149 1.00 25.00 O ATOM 484 CB GLU A 34 19.420 33.673 0.405 1.00 25.00 C ATOM 485 CG GLU A 34 18.630 32.808 -0.568 1.00 25.00 C ATOM 486 CD GLU A 34 18.953 31.319 -0.448 1.00 25.00 C ATOM 487 OE1 GLU A 34 18.049 30.497 -0.699 1.00 25.00 O ATOM 488 OE2 GLU A 34 20.106 30.970 -0.119 1.00 25.00 O ATOM 0 H GLU A 34 18.630 35.594 1.761 1.00 25.00 H new ATOM 0 HA GLU A 34 18.221 32.749 1.902 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.320 34.718 0.110 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.477 33.419 0.325 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.564 32.957 -0.394 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.836 33.137 -1.587 1.00 25.00 H new ATOM 495 N LEU A 35 20.956 34.097 3.128 1.00 25.00 N ATOM 496 CA LEU A 35 22.070 33.825 4.019 1.00 25.00 C ATOM 497 C LEU A 35 21.578 33.318 5.379 1.00 25.00 C ATOM 498 O LEU A 35 22.266 32.547 6.043 1.00 25.00 O ATOM 499 CB LEU A 35 22.956 35.054 4.098 1.00 25.00 C ATOM 500 CG LEU A 35 22.763 36.200 5.089 1.00 25.00 C ATOM 501 CD1 LEU A 35 23.006 35.848 6.547 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.749 37.249 4.645 1.00 25.00 C ATOM 0 H LEU A 35 20.860 35.072 2.845 1.00 25.00 H new ATOM 0 HA LEU A 35 22.683 33.015 3.623 1.00 25.00 H new ATOM 0 HB2 LEU A 35 23.969 34.685 4.257 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.933 35.506 3.106 1.00 25.00 H new ATOM 0 HG LEU A 35 21.720 36.517 5.071 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.843 36.730 7.166 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.318 35.059 6.850 1.00 25.00 H new ATOM 0 HD13 LEU A 35 24.032 35.502 6.672 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.681 38.115 5.304 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.759 36.840 4.687 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.522 37.552 3.623 1.00 25.00 H new ATOM 514 N SER A 36 20.393 33.759 5.797 1.00 25.00 N ATOM 515 CA SER A 36 19.818 33.359 7.085 1.00 25.00 C ATOM 516 C SER A 36 19.252 31.947 7.031 1.00 25.00 C ATOM 517 O SER A 36 19.368 31.189 7.987 1.00 25.00 O ATOM 518 CB SER A 36 18.746 34.348 7.567 1.00 25.00 C ATOM 519 OG SER A 36 17.523 34.228 6.862 1.00 25.00 O ATOM 0 H SER A 36 19.807 34.398 5.260 1.00 25.00 H new ATOM 0 HA SER A 36 20.634 33.372 7.808 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.563 34.188 8.630 1.00 25.00 H new ATOM 0 HB3 SER A 36 19.123 35.365 7.458 1.00 25.00 H new ATOM 0 HG SER A 36 17.693 33.852 5.973 1.00 25.00 H new ATOM 525 N LEU A 37 18.675 31.569 5.900 1.00 25.00 N ATOM 526 CA LEU A 37 18.153 30.219 5.750 1.00 25.00 C ATOM 527 C LEU A 37 19.297 29.288 5.624 1.00 25.00 C ATOM 528 O LEU A 37 19.255 28.172 6.080 1.00 25.00 O ATOM 529 CB LEU A 37 17.213 30.118 4.563 1.00 25.00 C ATOM 530 CG LEU A 37 17.578 30.057 3.071 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.168 28.733 2.635 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.289 30.326 2.287 1.00 25.00 C ATOM 0 H LEU A 37 18.557 32.168 5.083 1.00 25.00 H new ATOM 0 HA LEU A 37 17.565 29.952 6.628 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.617 29.224 4.747 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.543 30.972 4.657 1.00 25.00 H new ATOM 0 HG LEU A 37 18.353 30.799 2.879 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.399 28.770 1.570 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.081 28.539 3.197 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.450 27.935 2.823 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.500 30.293 1.218 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.547 29.567 2.535 1.00 25.00 H new ATOM 0 HD23 LEU A 37 15.902 31.310 2.550 1.00 25.00 H new ATOM 544 N LEU A 38 20.347 29.773 5.013 1.00 25.00 N ATOM 545 CA LEU A 38 21.531 28.983 4.833 1.00 25.00 C ATOM 546 C LEU A 38 22.164 28.600 6.156 1.00 25.00 C ATOM 547 O LEU A 38 22.501 27.454 6.358 1.00 25.00 O ATOM 548 CB LEU A 38 22.493 29.758 3.973 1.00 25.00 C ATOM 549 CG LEU A 38 23.720 28.936 3.545 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.311 27.812 2.620 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.766 29.796 2.884 1.00 25.00 C ATOM 0 H LEU A 38 20.403 30.717 4.631 1.00 25.00 H new ATOM 0 HA LEU A 38 21.265 28.047 4.342 1.00 25.00 H new ATOM 0 HB2 LEU A 38 21.972 30.111 3.083 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.827 30.641 4.518 1.00 25.00 H new ATOM 0 HG LEU A 38 24.158 28.512 4.449 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.193 27.242 2.328 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.608 27.156 3.133 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.837 28.227 1.731 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.617 29.178 2.596 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.343 30.266 1.996 1.00 25.00 H new ATOM 0 HD23 LEU A 38 25.096 30.567 3.580 1.00 25.00 H new ATOM 563 N LYS A 39 22.275 29.533 7.085 1.00 25.00 N ATOM 564 CA LYS A 39 22.791 29.178 8.421 1.00 25.00 C ATOM 565 C LYS A 39 21.820 28.311 9.214 1.00 25.00 C ATOM 566 O LYS A 39 22.249 27.536 10.057 1.00 25.00 O ATOM 567 CB LYS A 39 23.218 30.407 9.235 1.00 25.00 C ATOM 568 CG LYS A 39 22.225 31.561 9.243 1.00 25.00 C ATOM 569 CD LYS A 39 22.649 32.698 10.166 1.00 25.00 C ATOM 570 CE LYS A 39 23.842 33.463 9.590 1.00 25.00 C ATOM 571 NZ LYS A 39 24.223 34.630 10.454 1.00 25.00 N ATOM 0 H LYS A 39 22.027 30.515 6.960 1.00 25.00 H new ATOM 0 HA LYS A 39 23.685 28.582 8.238 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.396 30.096 10.264 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.168 30.770 8.842 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.113 31.945 8.229 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.248 31.192 9.554 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.813 33.381 10.314 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.910 32.297 11.145 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.693 32.789 9.492 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.598 33.816 8.588 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 25.035 35.124 10.032 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 23.419 35.285 10.527 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 24.480 34.290 11.403 1.00 25.00 H new ATOM 585 N GLU A 40 20.532 28.406 8.929 1.00 25.00 N ATOM 586 CA GLU A 40 19.548 27.556 9.598 1.00 25.00 C ATOM 587 C GLU A 40 19.583 26.128 9.028 1.00 25.00 C ATOM 588 O GLU A 40 19.630 25.145 9.765 1.00 25.00 O ATOM 589 CB GLU A 40 18.142 28.139 9.417 1.00 25.00 C ATOM 590 CG GLU A 40 17.073 27.413 10.218 1.00 25.00 C ATOM 591 CD GLU A 40 15.669 27.768 9.766 1.00 25.00 C ATOM 592 OE1 GLU A 40 15.353 27.515 8.580 1.00 25.00 O ATOM 593 OE2 GLU A 40 14.841 28.153 10.610 1.00 25.00 O ATOM 0 H GLU A 40 20.141 29.055 8.246 1.00 25.00 H new ATOM 0 HA GLU A 40 19.796 27.519 10.659 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.153 29.189 9.710 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.877 28.106 8.360 1.00 25.00 H new ATOM 0 HG2 GLU A 40 17.221 26.337 10.124 1.00 25.00 H new ATOM 0 HG3 GLU A 40 17.185 27.659 11.274 1.00 25.00 H new ATOM 600 N ARG A 41 19.513 26.022 7.708 1.00 25.00 N ATOM 601 CA ARG A 41 19.440 24.719 7.027 1.00 25.00 C ATOM 602 C ARG A 41 20.781 24.028 6.818 1.00 25.00 C ATOM 603 O ARG A 41 20.858 22.805 6.839 1.00 25.00 O ATOM 604 CB ARG A 41 18.798 24.904 5.648 1.00 25.00 C ATOM 605 CG ARG A 41 17.374 25.448 5.681 1.00 25.00 C ATOM 606 CD ARG A 41 16.395 24.426 6.249 1.00 25.00 C ATOM 607 NE ARG A 41 15.629 24.981 7.374 1.00 25.00 N ATOM 608 CZ ARG A 41 14.914 24.282 8.242 1.00 25.00 C ATOM 609 NH1 ARG A 41 14.824 22.974 8.188 1.00 25.00 N ATOM 610 NH2 ARG A 41 14.276 24.913 9.184 1.00 25.00 N ATOM 0 H ARG A 41 19.505 26.823 7.077 1.00 25.00 H new ATOM 0 HA ARG A 41 18.852 24.083 7.689 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.418 25.581 5.060 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.795 23.944 5.131 1.00 25.00 H new ATOM 0 HG2 ARG A 41 17.345 26.355 6.284 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.067 25.726 4.673 1.00 25.00 H new ATOM 0 HD2 ARG A 41 15.710 24.102 5.465 1.00 25.00 H new ATOM 0 HD3 ARG A 41 16.941 23.542 6.580 1.00 25.00 H new ATOM 0 HE ARG A 41 15.650 25.993 7.497 1.00 25.00 H new ATOM 0 HH11 ARG A 41 15.316 22.459 7.458 1.00 25.00 H new ATOM 0 HH12 ARG A 41 14.262 22.473 8.876 1.00 25.00 H new ATOM 0 HH21 ARG A 41 14.332 25.930 9.245 1.00 25.00 H new ATOM 0 HH22 ARG A 41 13.720 24.391 9.862 1.00 25.00 H new ATOM 624 N ASN A 42 21.811 24.811 6.547 1.00 25.00 N ATOM 625 CA ASN A 42 23.146 24.285 6.218 1.00 25.00 C ATOM 626 C ASN A 42 24.284 25.012 6.945 1.00 25.00 C ATOM 627 O ASN A 42 25.088 25.712 6.311 1.00 25.00 O ATOM 628 CB ASN A 42 23.384 24.413 4.711 1.00 25.00 C ATOM 629 CG ASN A 42 24.494 23.524 4.229 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.185 22.897 5.007 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.661 23.456 2.945 1.00 25.00 N ATOM 0 H ASN A 42 21.757 25.830 6.546 1.00 25.00 H new ATOM 0 HA ASN A 42 23.157 23.245 6.544 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.466 24.164 4.179 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.622 25.449 4.470 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.393 22.861 2.557 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.061 23.998 2.323 1.00 25.00 H new ATOM 638 N PRO A 43 24.394 24.844 8.273 1.00 25.00 N ATOM 639 CA PRO A 43 25.485 25.573 8.935 1.00 25.00 C ATOM 640 C PRO A 43 26.933 25.370 8.412 1.00 25.00 C ATOM 641 O PRO A 43 27.682 26.347 8.375 1.00 25.00 O ATOM 642 CB PRO A 43 25.337 25.170 10.411 1.00 25.00 C ATOM 643 CG PRO A 43 24.521 23.921 10.404 1.00 25.00 C ATOM 644 CD PRO A 43 23.592 24.068 9.238 1.00 25.00 C ATOM 0 HA PRO A 43 25.373 26.637 8.728 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.311 25.000 10.871 1.00 25.00 H new ATOM 0 HB3 PRO A 43 24.846 25.956 10.985 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.152 23.039 10.297 1.00 25.00 H new ATOM 0 HG3 PRO A 43 23.968 23.806 11.336 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.297 23.100 8.832 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.676 24.590 9.515 1.00 25.00 H new ATOM 652 N PRO A 44 27.339 24.152 7.957 1.00 25.00 N ATOM 653 CA PRO A 44 28.728 24.172 7.467 1.00 25.00 C ATOM 654 C PRO A 44 28.971 24.953 6.159 1.00 25.00 C ATOM 655 O PRO A 44 30.053 25.505 5.970 1.00 25.00 O ATOM 656 CB PRO A 44 29.048 22.686 7.286 1.00 25.00 C ATOM 657 CG PRO A 44 27.759 22.074 6.967 1.00 25.00 C ATOM 658 CD PRO A 44 26.776 22.790 7.859 1.00 25.00 C ATOM 0 HA PRO A 44 29.369 24.703 8.171 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.771 22.530 6.486 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.478 22.259 8.192 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.507 22.202 5.914 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.768 21.002 7.164 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.774 22.798 7.429 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.699 22.315 8.837 1.00 25.00 H new ATOM 666 N LEU A 45 27.995 25.038 5.258 1.00 25.00 N ATOM 667 CA LEU A 45 28.190 25.869 4.063 1.00 25.00 C ATOM 668 C LEU A 45 28.056 27.324 4.475 1.00 25.00 C ATOM 669 O LEU A 45 28.734 28.204 3.952 1.00 25.00 O ATOM 670 CB LEU A 45 27.195 25.535 2.957 1.00 25.00 C ATOM 671 CG LEU A 45 27.413 26.271 1.613 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.826 26.068 1.023 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.380 25.779 0.606 1.00 25.00 C ATOM 0 H LEU A 45 27.094 24.564 5.322 1.00 25.00 H new ATOM 0 HA LEU A 45 29.181 25.672 3.655 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.232 24.461 2.772 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.191 25.762 3.316 1.00 25.00 H new ATOM 0 HG LEU A 45 27.303 27.337 1.813 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.909 26.611 0.082 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.571 26.443 1.725 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.997 25.006 0.845 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.526 26.292 -0.345 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.497 24.705 0.460 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.378 25.988 0.981 1.00 25.00 H new ATOM 685 N ALA A 46 27.194 27.571 5.444 1.00 25.00 N ATOM 686 CA ALA A 46 27.009 28.919 5.940 1.00 25.00 C ATOM 687 C ALA A 46 28.283 29.495 6.552 1.00 25.00 C ATOM 688 O ALA A 46 28.644 30.601 6.218 1.00 25.00 O ATOM 689 CB ALA A 46 25.899 28.958 6.940 1.00 25.00 C ATOM 0 H ALA A 46 26.617 26.863 5.898 1.00 25.00 H new ATOM 0 HA ALA A 46 26.750 29.540 5.083 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.772 29.978 7.303 1.00 25.00 H new ATOM 0 HB2 ALA A 46 24.974 28.623 6.470 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.140 28.302 7.777 1.00 25.00 H new ATOM 695 N GLU A 47 28.961 28.775 7.440 1.00 25.00 N ATOM 696 CA GLU A 47 30.166 29.321 8.093 1.00 25.00 C ATOM 697 C GLU A 47 31.236 29.673 7.061 1.00 25.00 C ATOM 698 O GLU A 47 31.985 30.639 7.222 1.00 25.00 O ATOM 699 CB GLU A 47 30.736 28.366 9.155 1.00 25.00 C ATOM 700 CG GLU A 47 31.225 27.029 8.622 1.00 25.00 C ATOM 701 CD GLU A 47 31.988 26.237 9.659 1.00 25.00 C ATOM 702 OE1 GLU A 47 31.496 25.173 10.089 1.00 25.00 O ATOM 703 OE2 GLU A 47 33.115 26.663 10.011 1.00 25.00 O ATOM 0 H GLU A 47 28.710 27.829 7.726 1.00 25.00 H new ATOM 0 HA GLU A 47 29.861 30.233 8.606 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.564 28.863 9.661 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.968 28.182 9.906 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.372 26.444 8.278 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.865 27.199 7.756 1.00 25.00 H new ATOM 710 N ALA A 48 31.263 28.922 5.972 1.00 25.00 N ATOM 711 CA ALA A 48 32.143 29.183 4.868 1.00 25.00 C ATOM 712 C ALA A 48 31.868 30.559 4.263 1.00 25.00 C ATOM 713 O ALA A 48 32.790 31.326 3.989 1.00 25.00 O ATOM 714 CB ALA A 48 31.966 28.070 3.827 1.00 25.00 C ATOM 0 H ALA A 48 30.664 28.107 5.838 1.00 25.00 H new ATOM 0 HA ALA A 48 33.176 29.191 5.215 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.628 28.254 2.981 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.211 27.108 4.277 1.00 25.00 H new ATOM 0 HB3 ALA A 48 30.932 28.056 3.482 1.00 25.00 H new ATOM 720 N LEU A 49 30.593 30.874 4.111 1.00 25.00 N ATOM 721 CA LEU A 49 30.159 32.164 3.589 1.00 25.00 C ATOM 722 C LEU A 49 30.474 33.288 4.572 1.00 25.00 C ATOM 723 O LEU A 49 30.940 34.350 4.175 1.00 25.00 O ATOM 724 CB LEU A 49 28.644 32.135 3.359 1.00 25.00 C ATOM 725 CG LEU A 49 28.046 33.410 2.756 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.237 33.403 1.259 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.575 33.504 3.125 1.00 25.00 C ATOM 0 H LEU A 49 29.826 30.243 4.346 1.00 25.00 H new ATOM 0 HA LEU A 49 30.690 32.347 2.655 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.409 31.298 2.701 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.153 31.939 4.312 1.00 25.00 H new ATOM 0 HG LEU A 49 28.556 34.286 3.158 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.810 34.311 0.834 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.301 33.359 1.028 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.737 32.533 0.833 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.150 34.411 2.696 1.00 25.00 H new ATOM 0 HD22 LEU A 49 26.046 32.635 2.734 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.473 33.533 4.210 1.00 25.00 H new ATOM 739 N LEU A 50 30.200 33.054 5.853 1.00 25.00 N ATOM 740 CA LEU A 50 30.348 34.097 6.882 1.00 25.00 C ATOM 741 C LEU A 50 31.798 34.530 6.996 1.00 25.00 C ATOM 742 O LEU A 50 32.104 35.653 7.375 1.00 25.00 O ATOM 743 CB LEU A 50 29.905 33.594 8.269 1.00 25.00 C ATOM 744 CG LEU A 50 28.554 32.881 8.434 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.224 32.728 9.903 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.406 33.544 7.684 1.00 25.00 C ATOM 0 H LEU A 50 29.875 32.155 6.209 1.00 25.00 H new ATOM 0 HA LEU A 50 29.717 34.931 6.574 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.677 32.913 8.628 1.00 25.00 H new ATOM 0 HB3 LEU A 50 29.902 34.454 8.939 1.00 25.00 H new ATOM 0 HG LEU A 50 28.668 31.898 7.977 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.265 32.222 10.010 1.00 25.00 H new ATOM 0 HD12 LEU A 50 29.001 32.140 10.391 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.168 33.712 10.368 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.488 32.980 7.852 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.276 34.564 8.045 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.631 33.563 6.618 1.00 25.00 H new ATOM 758 N SER A 51 32.684 33.602 6.686 1.00 25.00 N ATOM 759 CA SER A 51 34.114 33.836 6.763 1.00 25.00 C ATOM 760 C SER A 51 34.620 34.723 5.626 1.00 25.00 C ATOM 761 O SER A 51 35.688 35.315 5.732 1.00 25.00 O ATOM 762 CB SER A 51 34.809 32.501 6.678 1.00 25.00 C ATOM 763 OG SER A 51 36.164 32.577 7.094 1.00 25.00 O ATOM 0 H SER A 51 32.432 32.664 6.374 1.00 25.00 H new ATOM 0 HA SER A 51 34.327 34.349 7.701 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.280 31.777 7.298 1.00 25.00 H new ATOM 0 HB3 SER A 51 34.765 32.135 5.652 1.00 25.00 H new ATOM 0 HG SER A 51 36.737 32.157 6.419 1.00 25.00 H new ATOM 769 N GLY A 52 33.882 34.759 4.522 1.00 25.00 N ATOM 770 CA GLY A 52 34.253 35.573 3.370 1.00 25.00 C ATOM 771 C GLY A 52 35.175 34.850 2.406 1.00 25.00 C ATOM 772 O GLY A 52 35.312 35.234 1.241 1.00 25.00 O ATOM 0 H GLY A 52 33.018 34.230 4.400 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.350 35.877 2.841 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.741 36.484 3.717 1.00 25.00 H new ATOM 776 N ASP A 53 35.801 33.792 2.895 1.00 25.00 N ATOM 777 CA ASP A 53 36.733 33.000 2.099 1.00 25.00 C ATOM 778 C ASP A 53 36.021 32.243 0.983 1.00 25.00 C ATOM 779 O ASP A 53 35.263 31.304 1.237 1.00 25.00 O ATOM 780 CB ASP A 53 37.431 31.967 2.970 1.00 25.00 C ATOM 781 CG ASP A 53 38.501 31.230 2.225 1.00 25.00 C ATOM 782 OD1 ASP A 53 38.841 30.111 2.647 1.00 25.00 O ATOM 783 OD2 ASP A 53 38.928 31.713 1.159 1.00 25.00 O ATOM 0 H ASP A 53 35.680 33.456 3.851 1.00 25.00 H new ATOM 0 HA ASP A 53 37.449 33.701 1.671 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.869 32.461 3.837 1.00 25.00 H new ATOM 0 HB3 ASP A 53 36.696 31.255 3.346 1.00 25.00 H new ATOM 788 N LEU A 54 36.297 32.609 -0.259 1.00 25.00 N ATOM 789 CA LEU A 54 35.732 31.884 -1.386 1.00 25.00 C ATOM 790 C LEU A 54 36.286 30.466 -1.400 1.00 25.00 C ATOM 791 O LEU A 54 35.582 29.539 -1.741 1.00 25.00 O ATOM 792 CB LEU A 54 36.067 32.581 -2.707 1.00 25.00 C ATOM 793 CG LEU A 54 35.492 31.994 -4.019 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.384 30.910 -4.636 1.00 25.00 C ATOM 795 CD2 LEU A 54 34.048 31.479 -3.896 1.00 25.00 C ATOM 0 H LEU A 54 36.900 33.392 -0.510 1.00 25.00 H new ATOM 0 HA LEU A 54 34.648 31.859 -1.277 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.730 33.615 -2.631 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.153 32.606 -2.803 1.00 25.00 H new ATOM 0 HG LEU A 54 35.474 32.848 -4.696 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.925 30.540 -5.553 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.363 31.331 -4.865 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.499 30.088 -3.930 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.719 31.084 -4.857 1.00 25.00 H new ATOM 0 HD22 LEU A 54 34.006 30.689 -3.146 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.394 32.298 -3.597 1.00 25.00 H new ATOM 807 N GLU A 55 37.544 30.291 -1.032 1.00 25.00 N ATOM 808 CA GLU A 55 38.161 28.966 -1.098 1.00 25.00 C ATOM 809 C GLU A 55 37.418 27.979 -0.199 1.00 25.00 C ATOM 810 O GLU A 55 37.030 26.901 -0.649 1.00 25.00 O ATOM 811 CB GLU A 55 39.643 29.023 -0.717 1.00 25.00 C ATOM 812 CG GLU A 55 40.457 30.000 -1.565 1.00 25.00 C ATOM 813 CD GLU A 55 41.573 29.312 -2.333 1.00 25.00 C ATOM 814 OE1 GLU A 55 41.565 29.391 -3.582 1.00 25.00 O ATOM 815 OE2 GLU A 55 42.451 28.686 -1.699 1.00 25.00 O ATOM 0 H GLU A 55 38.154 31.033 -0.689 1.00 25.00 H new ATOM 0 HA GLU A 55 38.091 28.619 -2.129 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.729 29.307 0.332 1.00 25.00 H new ATOM 0 HB3 GLU A 55 40.073 28.026 -0.814 1.00 25.00 H new ATOM 0 HG2 GLU A 55 39.795 30.506 -2.268 1.00 25.00 H new ATOM 0 HG3 GLU A 55 40.884 30.768 -0.920 1.00 25.00 H new ATOM 822 N LYS A 56 37.149 28.352 1.049 1.00 25.00 N ATOM 823 CA LYS A 56 36.383 27.467 1.931 1.00 25.00 C ATOM 824 C LYS A 56 34.951 27.352 1.430 1.00 25.00 C ATOM 825 O LYS A 56 34.384 26.277 1.482 1.00 25.00 O ATOM 826 CB LYS A 56 36.455 27.890 3.422 1.00 25.00 C ATOM 827 CG LYS A 56 35.558 28.931 3.873 1.00 25.00 C ATOM 828 CD LYS A 56 36.056 29.501 5.208 1.00 25.00 C ATOM 829 CE LYS A 56 35.595 28.700 6.435 1.00 25.00 C ATOM 830 NZ LYS A 56 36.038 29.352 7.716 1.00 25.00 N ATOM 0 H LYS A 56 37.439 29.236 1.467 1.00 25.00 H new ATOM 0 HA LYS A 56 36.842 26.479 1.894 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.272 27.004 4.030 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.475 28.214 3.629 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.501 29.724 3.127 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.551 28.531 3.991 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.145 29.533 5.195 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.708 30.529 5.306 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.509 28.612 6.427 1.00 25.00 H new ATOM 0 HE3 LYS A 56 35.997 27.688 6.382 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.311 29.212 8.446 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 36.932 28.925 8.032 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 36.178 30.370 7.557 1.00 25.00 H new ATOM 844 N PHE A 57 34.383 28.426 0.896 1.00 25.00 N ATOM 845 CA PHE A 57 33.017 28.367 0.374 1.00 25.00 C ATOM 846 C PHE A 57 32.907 27.378 -0.782 1.00 25.00 C ATOM 847 O PHE A 57 32.061 26.502 -0.753 1.00 25.00 O ATOM 848 CB PHE A 57 32.529 29.756 -0.043 1.00 25.00 C ATOM 849 CG PHE A 57 31.104 29.770 -0.513 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.044 29.775 0.415 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.806 29.763 -1.889 1.00 25.00 C ATOM 852 CE1 PHE A 57 28.699 29.775 -0.025 1.00 25.00 C ATOM 853 CE2 PHE A 57 29.464 29.756 -2.336 1.00 25.00 C ATOM 854 CZ PHE A 57 28.413 29.768 -1.407 1.00 25.00 C ATOM 0 H PHE A 57 34.835 29.336 0.812 1.00 25.00 H new ATOM 0 HA PHE A 57 32.371 28.010 1.176 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.632 30.438 0.801 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.170 30.135 -0.839 1.00 25.00 H new ATOM 0 HD1 PHE A 57 30.260 29.779 1.473 1.00 25.00 H new ATOM 0 HD2 PHE A 57 31.610 29.763 -2.610 1.00 25.00 H new ATOM 0 HE1 PHE A 57 27.894 29.780 0.695 1.00 25.00 H new ATOM 0 HE2 PHE A 57 29.248 29.741 -3.394 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.388 29.772 -1.748 1.00 25.00 H new ATOM 864 N SER A 58 33.787 27.484 -1.765 1.00 25.00 N ATOM 865 CA SER A 58 33.798 26.576 -2.908 1.00 25.00 C ATOM 866 C SER A 58 34.114 25.143 -2.508 1.00 25.00 C ATOM 867 O SER A 58 33.497 24.203 -2.995 1.00 25.00 O ATOM 868 CB SER A 58 34.851 27.052 -3.913 1.00 25.00 C ATOM 869 OG SER A 58 34.875 26.224 -5.061 1.00 25.00 O ATOM 0 H SER A 58 34.514 28.199 -1.796 1.00 25.00 H new ATOM 0 HA SER A 58 32.800 26.587 -3.346 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.638 28.080 -4.207 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.834 27.052 -3.441 1.00 25.00 H new ATOM 0 HG SER A 58 35.555 26.551 -5.686 1.00 25.00 H new ATOM 875 N ARG A 59 35.058 24.968 -1.599 1.00 25.00 N ATOM 876 CA ARG A 59 35.442 23.627 -1.164 1.00 25.00 C ATOM 877 C ARG A 59 34.273 22.945 -0.474 1.00 25.00 C ATOM 878 O ARG A 59 33.958 21.797 -0.759 1.00 25.00 O ATOM 879 CB ARG A 59 36.649 23.717 -0.232 1.00 25.00 C ATOM 880 CG ARG A 59 37.156 22.362 0.278 1.00 25.00 C ATOM 881 CD ARG A 59 36.751 22.107 1.728 1.00 25.00 C ATOM 882 NE ARG A 59 37.410 23.052 2.647 1.00 25.00 N ATOM 883 CZ ARG A 59 37.244 23.083 3.963 1.00 25.00 C ATOM 884 NH1 ARG A 59 36.450 22.249 4.589 1.00 25.00 N ATOM 885 NH2 ARG A 59 37.894 23.973 4.663 1.00 25.00 N ATOM 0 H ARG A 59 35.571 25.726 -1.149 1.00 25.00 H new ATOM 0 HA ARG A 59 35.717 23.029 -2.033 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.461 24.222 -0.756 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.387 24.339 0.624 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.761 21.566 -0.354 1.00 25.00 H new ATOM 0 HG3 ARG A 59 38.242 22.327 0.194 1.00 25.00 H new ATOM 0 HD2 ARG A 59 35.669 22.197 1.826 1.00 25.00 H new ATOM 0 HD3 ARG A 59 37.012 21.086 2.006 1.00 25.00 H new ATOM 0 HE ARG A 59 38.045 23.738 2.238 1.00 25.00 H new ATOM 0 HH11 ARG A 59 35.933 21.544 4.063 1.00 25.00 H new ATOM 0 HH12 ARG A 59 36.349 22.305 5.602 1.00 25.00 H new ATOM 0 HH21 ARG A 59 38.518 24.631 4.197 1.00 25.00 H new ATOM 0 HH22 ARG A 59 37.777 24.010 5.676 1.00 25.00 H new ATOM 899 N VAL A 60 33.609 23.661 0.417 1.00 25.00 N ATOM 900 CA VAL A 60 32.462 23.107 1.122 1.00 25.00 C ATOM 901 C VAL A 60 31.317 22.922 0.128 1.00 25.00 C ATOM 902 O VAL A 60 30.559 21.976 0.246 1.00 25.00 O ATOM 903 CB VAL A 60 32.043 23.990 2.335 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.799 23.423 3.020 1.00 25.00 C ATOM 905 CG2 VAL A 60 33.188 24.044 3.371 1.00 25.00 C ATOM 0 H VAL A 60 33.841 24.622 0.670 1.00 25.00 H new ATOM 0 HA VAL A 60 32.733 22.137 1.540 1.00 25.00 H new ATOM 0 HB VAL A 60 31.825 24.990 1.959 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.527 24.058 3.864 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.974 23.392 2.308 1.00 25.00 H new ATOM 0 HG13 VAL A 60 31.008 22.415 3.377 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.886 24.664 4.215 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.409 23.036 3.722 1.00 25.00 H new ATOM 0 HG23 VAL A 60 34.078 24.471 2.908 1.00 25.00 H new ATOM 915 N LEU A 61 31.212 23.788 -0.873 1.00 25.00 N ATOM 916 CA LEU A 61 30.175 23.647 -1.898 1.00 25.00 C ATOM 917 C LEU A 61 30.252 22.278 -2.572 1.00 25.00 C ATOM 918 O LEU A 61 29.230 21.636 -2.772 1.00 25.00 O ATOM 919 CB LEU A 61 30.312 24.742 -2.968 1.00 25.00 C ATOM 920 CG LEU A 61 29.045 25.011 -3.786 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.220 26.060 -3.073 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.363 25.511 -5.184 1.00 25.00 C ATOM 0 H LEU A 61 31.827 24.592 -1.000 1.00 25.00 H new ATOM 0 HA LEU A 61 29.211 23.746 -1.400 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.615 25.669 -2.481 1.00 25.00 H new ATOM 0 HB3 LEU A 61 31.115 24.463 -3.651 1.00 25.00 H new ATOM 0 HG LEU A 61 28.500 24.072 -3.880 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.314 26.261 -3.645 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.950 25.698 -2.081 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.801 26.977 -2.979 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.435 25.688 -5.727 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.928 26.441 -5.118 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.955 24.763 -5.712 1.00 25.00 H new ATOM 934 N VAL A 62 31.453 21.813 -2.893 1.00 25.00 N ATOM 935 CA VAL A 62 31.611 20.493 -3.518 1.00 25.00 C ATOM 936 C VAL A 62 31.243 19.395 -2.536 1.00 25.00 C ATOM 937 O VAL A 62 30.513 18.478 -2.885 1.00 25.00 O ATOM 938 CB VAL A 62 33.062 20.239 -4.011 1.00 25.00 C ATOM 939 CG1 VAL A 62 33.178 18.834 -4.654 1.00 25.00 C ATOM 940 CG2 VAL A 62 33.468 21.304 -5.025 1.00 25.00 C ATOM 0 H VAL A 62 32.325 22.318 -2.736 1.00 25.00 H new ATOM 0 HA VAL A 62 30.944 20.479 -4.380 1.00 25.00 H new ATOM 0 HB VAL A 62 33.731 20.290 -3.152 1.00 25.00 H new ATOM 0 HG11 VAL A 62 34.201 18.673 -4.994 1.00 25.00 H new ATOM 0 HG12 VAL A 62 32.916 18.074 -3.918 1.00 25.00 H new ATOM 0 HG13 VAL A 62 32.498 18.765 -5.503 1.00 25.00 H new ATOM 0 HG21 VAL A 62 34.487 21.115 -5.363 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.791 21.271 -5.878 1.00 25.00 H new ATOM 0 HG23 VAL A 62 33.417 22.288 -4.559 1.00 25.00 H new ATOM 950 N GLU A 63 31.710 19.504 -1.302 1.00 25.00 N ATOM 951 CA GLU A 63 31.396 18.503 -0.272 1.00 25.00 C ATOM 952 C GLU A 63 29.883 18.409 -0.065 1.00 25.00 C ATOM 953 O GLU A 63 29.312 17.324 0.051 1.00 25.00 O ATOM 954 CB GLU A 63 32.071 18.869 1.055 1.00 25.00 C ATOM 955 CG GLU A 63 33.593 18.800 1.015 1.00 25.00 C ATOM 956 CD GLU A 63 34.096 17.423 0.618 1.00 25.00 C ATOM 957 OE1 GLU A 63 33.690 16.431 1.257 1.00 25.00 O ATOM 958 OE2 GLU A 63 34.886 17.335 -0.344 1.00 25.00 O ATOM 0 H GLU A 63 32.305 20.268 -0.982 1.00 25.00 H new ATOM 0 HA GLU A 63 31.773 17.538 -0.610 1.00 25.00 H new ATOM 0 HB2 GLU A 63 31.770 19.878 1.338 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.707 18.198 1.833 1.00 25.00 H new ATOM 0 HG2 GLU A 63 33.970 19.540 0.309 1.00 25.00 H new ATOM 0 HG3 GLU A 63 33.993 19.062 1.995 1.00 25.00 H new