USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 356 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 SER OG : rot 71:sc= 1.72 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -170:sc= 0.712 (180deg=0) USER MOD Single : A 27 MET CE :methyl -122:sc= -0.0157 (180deg=-0.2) USER MOD Single : A 31 ASN : amide:sc= -1.24 K(o=-1.2,f=-6.8!) USER MOD Single : A 33 HIS : no HD1:sc=-0.00839 X(o=-0.0084,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= -0.103 K(o=-0.1,f=-4.5!) USER MOD Single : A 58 SER OG : rot 180:sc=-0.000309 USER MOD ----------------------------------------------------------------- ATOM 272 N PRO A 21 30.268 28.907 -7.482 1.00 25.00 N ATOM 273 CA PRO A 21 30.318 29.301 -6.069 1.00 25.00 C ATOM 274 C PRO A 21 30.717 30.757 -5.861 1.00 25.00 C ATOM 275 O PRO A 21 30.320 31.370 -4.889 1.00 25.00 O ATOM 276 CB PRO A 21 31.391 28.375 -5.483 1.00 25.00 C ATOM 277 CG PRO A 21 32.182 27.936 -6.636 1.00 25.00 C ATOM 278 CD PRO A 21 31.226 27.827 -7.766 1.00 25.00 C ATOM 0 HA PRO A 21 29.338 29.213 -5.600 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.011 28.899 -4.756 1.00 25.00 H new ATOM 0 HB3 PRO A 21 30.942 27.527 -4.966 1.00 25.00 H new ATOM 0 HG2 PRO A 21 32.974 28.650 -6.862 1.00 25.00 H new ATOM 0 HG3 PRO A 21 32.664 26.978 -6.438 1.00 25.00 H new ATOM 0 HD2 PRO A 21 31.719 27.965 -8.728 1.00 25.00 H new ATOM 0 HD3 PRO A 21 30.741 26.851 -7.793 1.00 25.00 H new ATOM 286 N ALA A 22 31.497 31.312 -6.778 1.00 25.00 N ATOM 287 CA ALA A 22 31.917 32.706 -6.663 1.00 25.00 C ATOM 288 C ALA A 22 30.709 33.634 -6.698 1.00 25.00 C ATOM 289 O ALA A 22 30.607 34.558 -5.895 1.00 25.00 O ATOM 290 CB ALA A 22 32.897 33.049 -7.792 1.00 25.00 C ATOM 0 H ALA A 22 31.850 30.826 -7.603 1.00 25.00 H new ATOM 0 HA ALA A 22 32.421 32.845 -5.707 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.207 34.090 -7.701 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.772 32.403 -7.723 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.410 32.898 -8.755 1.00 25.00 H new ATOM 296 N LEU A 23 29.798 33.375 -7.628 1.00 25.00 N ATOM 297 CA LEU A 23 28.620 34.213 -7.802 1.00 25.00 C ATOM 298 C LEU A 23 27.581 33.905 -6.738 1.00 25.00 C ATOM 299 O LEU A 23 26.896 34.798 -6.266 1.00 25.00 O ATOM 300 CB LEU A 23 28.006 33.999 -9.190 1.00 25.00 C ATOM 301 CG LEU A 23 28.929 34.203 -10.405 1.00 25.00 C ATOM 302 CD1 LEU A 23 28.123 33.996 -11.683 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.583 35.581 -10.432 1.00 25.00 C ATOM 0 H LEU A 23 29.854 32.588 -8.275 1.00 25.00 H new ATOM 0 HA LEU A 23 28.932 35.253 -7.705 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.611 32.984 -9.232 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.158 34.676 -9.292 1.00 25.00 H new ATOM 0 HG LEU A 23 29.734 33.472 -10.329 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.770 34.139 -12.548 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.716 32.985 -11.697 1.00 25.00 H new ATOM 0 HD13 LEU A 23 27.306 34.716 -11.718 1.00 25.00 H new ATOM 0 HD21 LEU A 23 30.221 35.664 -11.312 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.811 36.349 -10.470 1.00 25.00 H new ATOM 0 HD23 LEU A 23 30.185 35.716 -9.533 1.00 25.00 H new ATOM 315 N LEU A 24 27.486 32.648 -6.331 1.00 25.00 N ATOM 316 CA LEU A 24 26.541 32.281 -5.287 1.00 25.00 C ATOM 317 C LEU A 24 26.939 32.922 -3.969 1.00 25.00 C ATOM 318 O LEU A 24 26.099 33.443 -3.255 1.00 25.00 O ATOM 319 CB LEU A 24 26.480 30.762 -5.117 1.00 25.00 C ATOM 320 CG LEU A 24 25.508 30.292 -4.022 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.076 30.755 -4.275 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.561 28.790 -3.914 1.00 25.00 C ATOM 0 H LEU A 24 28.041 31.876 -6.700 1.00 25.00 H new ATOM 0 HA LEU A 24 25.556 32.641 -5.583 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.187 30.312 -6.066 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.479 30.393 -4.884 1.00 25.00 H new ATOM 0 HG LEU A 24 25.824 30.744 -3.082 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.431 30.397 -3.473 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.046 31.844 -4.306 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.727 30.355 -5.227 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.872 28.456 -3.138 1.00 25.00 H new ATOM 0 HD22 LEU A 24 25.275 28.346 -4.868 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.574 28.479 -3.658 1.00 25.00 H new ATOM 334 N ARG A 25 28.234 32.924 -3.674 1.00 25.00 N ATOM 335 CA ARG A 25 28.751 33.552 -2.461 1.00 25.00 C ATOM 336 C ARG A 25 28.371 35.021 -2.487 1.00 25.00 C ATOM 337 O ARG A 25 27.948 35.579 -1.492 1.00 25.00 O ATOM 338 CB ARG A 25 30.277 33.392 -2.428 1.00 25.00 C ATOM 339 CG ARG A 25 30.992 34.101 -1.273 1.00 25.00 C ATOM 340 CD ARG A 25 32.357 34.621 -1.710 1.00 25.00 C ATOM 341 NE ARG A 25 32.224 35.605 -2.798 1.00 25.00 N ATOM 342 CZ ARG A 25 33.144 36.480 -3.175 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.315 36.555 -2.592 1.00 25.00 N ATOM 344 NH2 ARG A 25 32.885 37.308 -4.145 1.00 25.00 N ATOM 0 H ARG A 25 28.950 32.496 -4.261 1.00 25.00 H new ATOM 0 HA ARG A 25 28.331 33.085 -1.571 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.512 32.329 -2.379 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.684 33.766 -3.368 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.381 34.930 -0.917 1.00 25.00 H new ATOM 0 HG3 ARG A 25 31.112 33.411 -0.437 1.00 25.00 H new ATOM 0 HD2 ARG A 25 32.864 35.079 -0.861 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.978 33.789 -2.042 1.00 25.00 H new ATOM 0 HE ARG A 25 31.341 35.613 -3.309 1.00 25.00 H new ATOM 0 HH11 ARG A 25 34.542 35.927 -1.821 1.00 25.00 H new ATOM 0 HH12 ARG A 25 34.999 37.242 -2.909 1.00 25.00 H new ATOM 0 HH21 ARG A 25 31.978 37.281 -4.610 1.00 25.00 H new ATOM 0 HH22 ARG A 25 33.589 37.984 -4.440 1.00 25.00 H new ATOM 358 N ASP A 26 28.520 35.636 -3.646 1.00 25.00 N ATOM 359 CA ASP A 26 28.221 37.052 -3.814 1.00 25.00 C ATOM 360 C ASP A 26 26.729 37.348 -3.606 1.00 25.00 C ATOM 361 O ASP A 26 26.363 38.259 -2.869 1.00 25.00 O ATOM 362 CB ASP A 26 28.651 37.471 -5.213 1.00 25.00 C ATOM 363 CG ASP A 26 29.390 38.785 -5.218 1.00 25.00 C ATOM 364 OD1 ASP A 26 30.593 38.755 -4.873 1.00 25.00 O ATOM 365 OD2 ASP A 26 28.815 39.822 -5.587 1.00 25.00 O ATOM 0 H ASP A 26 28.849 35.174 -4.494 1.00 25.00 H new ATOM 0 HA ASP A 26 28.767 37.620 -3.061 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.288 36.697 -5.641 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.772 37.549 -5.852 1.00 25.00 H new ATOM 370 N MET A 27 25.877 36.524 -4.206 1.00 25.00 N ATOM 371 CA MET A 27 24.423 36.646 -4.060 1.00 25.00 C ATOM 372 C MET A 27 24.028 36.506 -2.606 1.00 25.00 C ATOM 373 O MET A 27 23.279 37.310 -2.078 1.00 25.00 O ATOM 374 CB MET A 27 23.733 35.545 -4.875 1.00 25.00 C ATOM 375 CG MET A 27 22.215 35.671 -4.985 1.00 25.00 C ATOM 376 SD MET A 27 21.264 35.193 -3.498 1.00 25.00 S ATOM 377 CE MET A 27 21.490 33.393 -3.445 1.00 25.00 C ATOM 0 H MET A 27 26.169 35.753 -4.807 1.00 25.00 H new ATOM 0 HA MET A 27 24.115 37.627 -4.422 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.155 35.541 -5.880 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.970 34.580 -4.426 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.973 36.705 -5.231 1.00 25.00 H new ATOM 0 HG3 MET A 27 21.878 35.057 -5.821 1.00 25.00 H new ATOM 0 HE1 MET A 27 20.517 32.903 -3.474 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.082 33.075 -4.303 1.00 25.00 H new ATOM 0 HE3 MET A 27 22.007 33.118 -2.526 1.00 25.00 H new ATOM 387 N LEU A 28 24.553 35.480 -1.962 1.00 25.00 N ATOM 388 CA LEU A 28 24.246 35.198 -0.566 1.00 25.00 C ATOM 389 C LEU A 28 24.648 36.350 0.337 1.00 25.00 C ATOM 390 O LEU A 28 23.900 36.737 1.220 1.00 25.00 O ATOM 391 CB LEU A 28 24.976 33.953 -0.114 1.00 25.00 C ATOM 392 CG LEU A 28 24.375 32.633 -0.593 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.402 31.572 -0.405 1.00 25.00 C ATOM 394 CD2 LEU A 28 23.121 32.297 0.181 1.00 25.00 C ATOM 0 H LEU A 28 25.203 34.819 -2.387 1.00 25.00 H new ATOM 0 HA LEU A 28 23.168 35.053 -0.494 1.00 25.00 H new ATOM 0 HB2 LEU A 28 26.008 34.011 -0.461 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.006 33.945 0.976 1.00 25.00 H new ATOM 0 HG LEU A 28 24.095 32.711 -1.644 1.00 25.00 H new ATOM 0 HD11 LEU A 28 25.002 30.615 -0.739 1.00 25.00 H new ATOM 0 HD12 LEU A 28 26.290 31.817 -0.988 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.668 31.506 0.650 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.713 31.353 -0.180 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.360 32.208 1.241 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.384 33.088 0.041 1.00 25.00 H new ATOM 406 N LEU A 29 25.821 36.912 0.103 1.00 25.00 N ATOM 407 CA LEU A 29 26.295 38.042 0.915 1.00 25.00 C ATOM 408 C LEU A 29 25.374 39.246 0.745 1.00 25.00 C ATOM 409 O LEU A 29 25.139 39.998 1.690 1.00 25.00 O ATOM 410 CB LEU A 29 27.724 38.424 0.522 1.00 25.00 C ATOM 411 CG LEU A 29 28.830 37.475 1.009 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.124 37.744 0.245 1.00 25.00 C ATOM 413 CD2 LEU A 29 29.074 37.615 2.514 1.00 25.00 C ATOM 0 H LEU A 29 26.464 36.616 -0.632 1.00 25.00 H new ATOM 0 HA LEU A 29 26.287 37.735 1.961 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.777 38.485 -0.565 1.00 25.00 H new ATOM 0 HB3 LEU A 29 27.932 39.422 0.908 1.00 25.00 H new ATOM 0 HG LEU A 29 28.499 36.454 0.818 1.00 25.00 H new ATOM 0 HD11 LEU A 29 30.902 37.067 0.597 1.00 25.00 H new ATOM 0 HD12 LEU A 29 29.958 37.583 -0.820 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.438 38.775 0.412 1.00 25.00 H new ATOM 0 HD21 LEU A 29 29.863 36.928 2.820 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.376 38.638 2.740 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.157 37.379 3.055 1.00 25.00 H new ATOM 425 N ALA A 30 24.841 39.409 -0.456 1.00 25.00 N ATOM 426 CA ALA A 30 23.924 40.499 -0.759 1.00 25.00 C ATOM 427 C ALA A 30 22.472 40.187 -0.346 1.00 25.00 C ATOM 428 O ALA A 30 21.605 41.061 -0.426 1.00 25.00 O ATOM 429 CB ALA A 30 23.984 40.806 -2.262 1.00 25.00 C ATOM 0 H ALA A 30 25.030 38.792 -1.246 1.00 25.00 H new ATOM 0 HA ALA A 30 24.239 41.366 -0.178 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.299 41.622 -2.494 1.00 25.00 H new ATOM 0 HB2 ALA A 30 24.999 41.096 -2.534 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.697 39.919 -2.826 1.00 25.00 H new ATOM 435 N ASN A 31 22.193 38.954 0.062 1.00 25.00 N ATOM 436 CA ASN A 31 20.821 38.540 0.372 1.00 25.00 C ATOM 437 C ASN A 31 20.663 38.091 1.828 1.00 25.00 C ATOM 438 O ASN A 31 20.961 36.941 2.176 1.00 25.00 O ATOM 439 CB ASN A 31 20.406 37.408 -0.562 1.00 25.00 C ATOM 440 CG ASN A 31 18.920 37.193 -0.574 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.250 37.278 0.457 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.389 36.915 -1.729 1.00 25.00 N ATOM 0 H ASN A 31 22.893 38.223 0.187 1.00 25.00 H new ATOM 0 HA ASN A 31 20.176 39.407 0.226 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.746 37.631 -1.573 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.901 36.487 -0.255 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.384 36.759 -1.804 1.00 25.00 H new ATOM 0 HD22 ASN A 31 18.978 36.854 -2.560 1.00 25.00 H new ATOM 449 N PRO A 32 20.150 38.975 2.702 1.00 25.00 N ATOM 450 CA PRO A 32 20.060 38.589 4.114 1.00 25.00 C ATOM 451 C PRO A 32 19.102 37.433 4.418 1.00 25.00 C ATOM 452 O PRO A 32 19.274 36.741 5.414 1.00 25.00 O ATOM 453 CB PRO A 32 19.609 39.888 4.790 1.00 25.00 C ATOM 454 CG PRO A 32 18.872 40.618 3.727 1.00 25.00 C ATOM 455 CD PRO A 32 19.672 40.355 2.491 1.00 25.00 C ATOM 0 HA PRO A 32 21.011 38.194 4.472 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.971 39.688 5.651 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.460 40.465 5.152 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.850 40.253 3.627 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.810 41.684 3.944 1.00 25.00 H new ATOM 0 HD2 PRO A 32 19.065 40.440 1.590 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.498 41.058 2.386 1.00 25.00 H new ATOM 463 N HIS A 33 18.103 37.207 3.577 1.00 25.00 N ATOM 464 CA HIS A 33 17.173 36.098 3.798 1.00 25.00 C ATOM 465 C HIS A 33 17.813 34.769 3.409 1.00 25.00 C ATOM 466 O HIS A 33 17.668 33.758 4.095 1.00 25.00 O ATOM 467 CB HIS A 33 15.901 36.295 2.972 1.00 25.00 C ATOM 468 CG HIS A 33 14.906 35.190 3.143 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.993 35.122 4.162 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.692 34.065 2.400 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.289 34.003 4.018 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.667 33.324 2.956 1.00 25.00 N ATOM 0 H HIS A 33 17.913 37.766 2.745 1.00 25.00 H new ATOM 0 HA HIS A 33 16.923 36.081 4.859 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.436 37.240 3.254 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.169 36.373 1.918 1.00 25.00 H new ATOM 0 HD2 HIS A 33 15.242 33.795 1.511 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.504 33.690 4.690 1.00 25.00 H new ATOM 0 HE2 HIS A 33 13.286 32.441 2.617 1.00 25.00 H new ATOM 480 N GLU A 34 18.506 34.779 2.286 1.00 25.00 N ATOM 481 CA GLU A 34 19.082 33.561 1.723 1.00 25.00 C ATOM 482 C GLU A 34 20.264 33.120 2.572 1.00 25.00 C ATOM 483 O GLU A 34 20.442 31.947 2.863 1.00 25.00 O ATOM 484 CB GLU A 34 19.509 33.836 0.283 1.00 25.00 C ATOM 485 CG GLU A 34 18.510 33.378 -0.770 1.00 25.00 C ATOM 486 CD GLU A 34 18.470 31.862 -0.929 1.00 25.00 C ATOM 487 OE1 GLU A 34 17.362 31.319 -1.119 1.00 25.00 O ATOM 488 OE2 GLU A 34 19.540 31.216 -0.876 1.00 25.00 O ATOM 0 H GLU A 34 18.687 35.620 1.739 1.00 25.00 H new ATOM 0 HA GLU A 34 18.346 32.757 1.722 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.677 34.907 0.165 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.463 33.342 0.100 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.516 33.737 -0.501 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.765 33.832 -1.727 1.00 25.00 H new ATOM 495 N LEU A 35 21.030 34.084 3.052 1.00 25.00 N ATOM 496 CA LEU A 35 22.150 33.783 3.936 1.00 25.00 C ATOM 497 C LEU A 35 21.636 33.249 5.281 1.00 25.00 C ATOM 498 O LEU A 35 22.305 32.452 5.944 1.00 25.00 O ATOM 499 CB LEU A 35 23.041 35.011 4.061 1.00 25.00 C ATOM 500 CG LEU A 35 22.808 36.127 5.086 1.00 25.00 C ATOM 501 CD1 LEU A 35 23.089 35.746 6.533 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.732 37.251 4.669 1.00 25.00 C ATOM 0 H LEU A 35 20.901 35.075 2.849 1.00 25.00 H new ATOM 0 HA LEU A 35 22.768 32.989 3.516 1.00 25.00 H new ATOM 0 HB2 LEU A 35 24.051 34.640 4.236 1.00 25.00 H new ATOM 0 HB3 LEU A 35 23.042 35.490 3.082 1.00 25.00 H new ATOM 0 HG LEU A 35 21.750 36.390 5.079 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.895 36.602 7.179 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.442 34.918 6.823 1.00 25.00 H new ATOM 0 HD13 LEU A 35 24.132 35.445 6.634 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.621 38.088 5.358 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.764 36.900 4.688 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.478 37.576 3.660 1.00 25.00 H new ATOM 514 N SER A 36 20.445 33.680 5.674 1.00 25.00 N ATOM 515 CA SER A 36 19.816 33.236 6.914 1.00 25.00 C ATOM 516 C SER A 36 19.310 31.803 6.790 1.00 25.00 C ATOM 517 O SER A 36 19.569 30.980 7.648 1.00 25.00 O ATOM 518 CB SER A 36 18.659 34.157 7.299 1.00 25.00 C ATOM 519 OG SER A 36 18.164 33.824 8.582 1.00 25.00 O ATOM 0 H SER A 36 19.886 34.348 5.143 1.00 25.00 H new ATOM 0 HA SER A 36 20.574 33.274 7.696 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.994 35.194 7.290 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.860 34.074 6.562 1.00 25.00 H new ATOM 0 HG SER A 36 17.425 34.424 8.813 1.00 25.00 H new ATOM 525 N LEU A 37 18.633 31.467 5.702 1.00 25.00 N ATOM 526 CA LEU A 37 18.157 30.088 5.533 1.00 25.00 C ATOM 527 C LEU A 37 19.312 29.149 5.442 1.00 25.00 C ATOM 528 O LEU A 37 19.235 27.994 5.825 1.00 25.00 O ATOM 529 CB LEU A 37 17.257 29.953 4.320 1.00 25.00 C ATOM 530 CG LEU A 37 17.691 30.008 2.848 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.434 28.758 2.376 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.416 30.196 2.022 1.00 25.00 C ATOM 0 H LEU A 37 18.402 32.104 4.939 1.00 25.00 H new ATOM 0 HA LEU A 37 17.563 29.829 6.410 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.750 28.996 4.439 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.501 30.730 4.430 1.00 25.00 H new ATOM 0 HG LEU A 37 18.398 30.828 2.724 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.708 28.872 1.327 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.335 28.623 2.974 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.789 27.887 2.490 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.672 30.241 0.963 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.742 29.357 2.197 1.00 25.00 H new ATOM 0 HD23 LEU A 37 15.925 31.123 2.317 1.00 25.00 H new ATOM 544 N LEU A 38 20.397 29.668 4.922 1.00 25.00 N ATOM 545 CA LEU A 38 21.594 28.900 4.777 1.00 25.00 C ATOM 546 C LEU A 38 22.223 28.542 6.111 1.00 25.00 C ATOM 547 O LEU A 38 22.607 27.408 6.314 1.00 25.00 O ATOM 548 CB LEU A 38 22.543 29.697 3.926 1.00 25.00 C ATOM 549 CG LEU A 38 23.815 28.945 3.526 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.485 27.775 2.626 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.789 29.872 2.842 1.00 25.00 C ATOM 0 H LEU A 38 20.468 30.630 4.591 1.00 25.00 H new ATOM 0 HA LEU A 38 21.355 27.948 4.303 1.00 25.00 H new ATOM 0 HB2 LEU A 38 22.023 30.014 3.022 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.824 30.601 4.466 1.00 25.00 H new ATOM 0 HG LEU A 38 24.280 28.562 4.434 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.403 27.255 2.354 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.821 27.088 3.151 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.993 28.138 1.724 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.686 29.318 2.566 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.328 30.287 1.945 1.00 25.00 H new ATOM 0 HD23 LEU A 38 25.057 30.682 3.520 1.00 25.00 H new ATOM 563 N LYS A 39 22.291 29.480 7.042 1.00 25.00 N ATOM 564 CA LYS A 39 22.813 29.145 8.378 1.00 25.00 C ATOM 565 C LYS A 39 21.843 28.259 9.141 1.00 25.00 C ATOM 566 O LYS A 39 22.274 27.444 9.942 1.00 25.00 O ATOM 567 CB LYS A 39 23.196 30.389 9.200 1.00 25.00 C ATOM 568 CG LYS A 39 22.134 31.480 9.265 1.00 25.00 C ATOM 569 CD LYS A 39 22.359 32.465 10.397 1.00 25.00 C ATOM 570 CE LYS A 39 23.528 33.397 10.104 1.00 25.00 C ATOM 571 NZ LYS A 39 23.688 34.387 11.221 1.00 25.00 N ATOM 0 H LYS A 39 22.005 30.451 6.916 1.00 25.00 H new ATOM 0 HA LYS A 39 23.734 28.585 8.218 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.432 30.074 10.216 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.106 30.816 8.779 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.119 32.021 8.319 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.154 31.018 9.383 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.455 33.053 10.554 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.550 31.920 11.322 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.444 32.818 9.986 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.359 33.922 9.164 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.488 35.019 11.013 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 22.818 34.949 11.314 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 23.870 33.880 12.111 1.00 25.00 H new ATOM 585 N GLU A 40 20.554 28.371 8.853 1.00 25.00 N ATOM 586 CA GLU A 40 19.558 27.515 9.500 1.00 25.00 C ATOM 587 C GLU A 40 19.631 26.080 8.964 1.00 25.00 C ATOM 588 O GLU A 40 19.693 25.123 9.727 1.00 25.00 O ATOM 589 CB GLU A 40 18.146 28.064 9.249 1.00 25.00 C ATOM 590 CG GLU A 40 17.829 29.350 10.008 1.00 25.00 C ATOM 591 CD GLU A 40 17.853 29.157 11.513 1.00 25.00 C ATOM 592 OE1 GLU A 40 17.071 28.326 12.022 1.00 25.00 O ATOM 593 OE2 GLU A 40 18.660 29.836 12.186 1.00 25.00 O ATOM 0 H GLU A 40 20.171 29.038 8.183 1.00 25.00 H new ATOM 0 HA GLU A 40 19.772 27.508 10.569 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.024 28.246 8.181 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.418 27.302 9.528 1.00 25.00 H new ATOM 0 HG2 GLU A 40 18.551 30.118 9.732 1.00 25.00 H new ATOM 0 HG3 GLU A 40 16.846 29.713 9.707 1.00 25.00 H new ATOM 600 N ARG A 41 19.586 25.927 7.646 1.00 25.00 N ATOM 601 CA ARG A 41 19.533 24.584 7.042 1.00 25.00 C ATOM 602 C ARG A 41 20.877 23.940 6.715 1.00 25.00 C ATOM 603 O ARG A 41 20.976 22.720 6.653 1.00 25.00 O ATOM 604 CB ARG A 41 18.665 24.622 5.788 1.00 25.00 C ATOM 605 CG ARG A 41 17.255 25.117 6.090 1.00 25.00 C ATOM 606 CD ARG A 41 16.203 24.544 5.129 1.00 25.00 C ATOM 607 NE ARG A 41 16.286 25.089 3.759 1.00 25.00 N ATOM 608 CZ ARG A 41 15.632 26.158 3.314 1.00 25.00 C ATOM 609 NH1 ARG A 41 14.851 26.881 4.080 1.00 25.00 N ATOM 610 NH2 ARG A 41 15.758 26.501 2.062 1.00 25.00 N ATOM 0 H ARG A 41 19.585 26.697 6.977 1.00 25.00 H new ATOM 0 HA ARG A 41 19.103 23.948 7.816 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.127 25.273 5.046 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.614 23.625 5.351 1.00 25.00 H new ATOM 0 HG2 ARG A 41 16.991 24.847 7.113 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.237 26.205 6.033 1.00 25.00 H new ATOM 0 HD2 ARG A 41 16.316 23.461 5.086 1.00 25.00 H new ATOM 0 HD3 ARG A 41 15.210 24.746 5.530 1.00 25.00 H new ATOM 0 HE ARG A 41 16.895 24.605 3.099 1.00 25.00 H new ATOM 0 HH11 ARG A 41 14.726 26.631 5.061 1.00 25.00 H new ATOM 0 HH12 ARG A 41 14.369 27.693 3.695 1.00 25.00 H new ATOM 0 HH21 ARG A 41 16.351 25.952 1.440 1.00 25.00 H new ATOM 0 HH22 ARG A 41 15.263 27.318 1.705 1.00 25.00 H new ATOM 624 N ASN A 42 21.899 24.748 6.487 1.00 25.00 N ATOM 625 CA ASN A 42 23.245 24.236 6.166 1.00 25.00 C ATOM 626 C ASN A 42 24.369 24.975 6.901 1.00 25.00 C ATOM 627 O ASN A 42 25.176 25.679 6.271 1.00 25.00 O ATOM 628 CB ASN A 42 23.505 24.341 4.658 1.00 25.00 C ATOM 629 CG ASN A 42 24.615 23.429 4.202 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.307 22.824 4.995 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.786 23.326 2.921 1.00 25.00 N ATOM 0 H ASN A 42 21.834 25.766 6.516 1.00 25.00 H new ATOM 0 HA ASN A 42 23.256 23.198 6.497 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.591 24.096 4.117 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.758 25.371 4.406 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.520 22.722 2.551 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.186 23.849 2.283 1.00 25.00 H new ATOM 638 N PRO A 43 24.468 24.814 8.232 1.00 25.00 N ATOM 639 CA PRO A 43 25.549 25.562 8.897 1.00 25.00 C ATOM 640 C PRO A 43 27.005 25.371 8.392 1.00 25.00 C ATOM 641 O PRO A 43 27.745 26.353 8.356 1.00 25.00 O ATOM 642 CB PRO A 43 25.391 25.173 10.378 1.00 25.00 C ATOM 643 CG PRO A 43 24.593 23.916 10.375 1.00 25.00 C ATOM 644 CD PRO A 43 23.667 24.039 9.201 1.00 25.00 C ATOM 0 HA PRO A 43 25.428 26.622 8.674 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.362 25.021 10.850 1.00 25.00 H new ATOM 0 HB3 PRO A 43 24.884 25.959 10.938 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.237 23.042 10.279 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.036 23.801 11.305 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.385 23.064 8.804 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.744 24.554 9.466 1.00 25.00 H new ATOM 652 N PRO A 44 27.426 24.156 7.944 1.00 25.00 N ATOM 653 CA PRO A 44 28.814 24.189 7.452 1.00 25.00 C ATOM 654 C PRO A 44 29.042 24.980 6.153 1.00 25.00 C ATOM 655 O PRO A 44 30.124 25.531 5.953 1.00 25.00 O ATOM 656 CB PRO A 44 29.144 22.703 7.250 1.00 25.00 C ATOM 657 CG PRO A 44 27.863 22.088 6.934 1.00 25.00 C ATOM 658 CD PRO A 44 26.875 22.786 7.840 1.00 25.00 C ATOM 0 HA PRO A 44 29.454 24.714 8.161 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.863 22.562 6.443 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.583 22.268 8.148 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.605 22.226 5.884 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.882 21.014 7.119 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.870 22.786 7.417 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.810 22.302 8.815 1.00 25.00 H new ATOM 666 N LEU A 45 28.052 25.078 5.265 1.00 25.00 N ATOM 667 CA LEU A 45 28.229 25.915 4.074 1.00 25.00 C ATOM 668 C LEU A 45 28.100 27.371 4.494 1.00 25.00 C ATOM 669 O LEU A 45 28.791 28.249 3.982 1.00 25.00 O ATOM 670 CB LEU A 45 27.208 25.573 2.988 1.00 25.00 C ATOM 671 CG LEU A 45 27.348 26.335 1.650 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.754 26.231 1.043 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.332 25.778 0.651 1.00 25.00 C ATOM 0 H LEU A 45 27.150 24.608 5.339 1.00 25.00 H new ATOM 0 HA LEU A 45 29.215 25.731 3.647 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.273 24.505 2.782 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.210 25.760 3.385 1.00 25.00 H new ATOM 0 HG LEU A 45 27.164 27.389 1.859 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.788 26.786 0.106 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.482 26.648 1.738 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.992 25.184 0.853 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.424 26.310 -0.296 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.523 24.717 0.491 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.324 25.910 1.045 1.00 25.00 H new ATOM 685 N ALA A 46 27.238 27.618 5.465 1.00 25.00 N ATOM 686 CA ALA A 46 27.058 28.970 5.972 1.00 25.00 C ATOM 687 C ALA A 46 28.332 29.549 6.590 1.00 25.00 C ATOM 688 O ALA A 46 28.694 30.661 6.265 1.00 25.00 O ATOM 689 CB ALA A 46 25.948 28.999 6.971 1.00 25.00 C ATOM 0 H ALA A 46 26.657 26.910 5.915 1.00 25.00 H new ATOM 0 HA ALA A 46 26.806 29.597 5.117 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.821 30.015 7.345 1.00 25.00 H new ATOM 0 HB2 ALA A 46 25.024 28.668 6.497 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.188 28.335 7.801 1.00 25.00 H new ATOM 695 N GLU A 47 29.008 28.820 7.472 1.00 25.00 N ATOM 696 CA GLU A 47 30.220 29.351 8.123 1.00 25.00 C ATOM 697 C GLU A 47 31.293 29.702 7.086 1.00 25.00 C ATOM 698 O GLU A 47 32.060 30.653 7.255 1.00 25.00 O ATOM 699 CB GLU A 47 30.787 28.378 9.172 1.00 25.00 C ATOM 700 CG GLU A 47 31.312 27.064 8.613 1.00 25.00 C ATOM 701 CD GLU A 47 32.123 26.292 9.632 1.00 25.00 C ATOM 702 OE1 GLU A 47 31.529 25.687 10.546 1.00 25.00 O ATOM 703 OE2 GLU A 47 33.374 26.304 9.516 1.00 25.00 O ATOM 0 H GLU A 47 28.750 27.875 7.755 1.00 25.00 H new ATOM 0 HA GLU A 47 29.926 30.262 8.644 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.595 28.876 9.708 1.00 25.00 H new ATOM 0 HB3 GLU A 47 30.007 28.159 9.902 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.474 26.452 8.280 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.929 27.264 7.737 1.00 25.00 H new ATOM 710 N ALA A 48 31.308 28.959 5.991 1.00 25.00 N ATOM 711 CA ALA A 48 32.215 29.200 4.898 1.00 25.00 C ATOM 712 C ALA A 48 31.928 30.558 4.248 1.00 25.00 C ATOM 713 O ALA A 48 32.847 31.299 3.910 1.00 25.00 O ATOM 714 CB ALA A 48 32.078 28.060 3.894 1.00 25.00 C ATOM 0 H ALA A 48 30.683 28.167 5.842 1.00 25.00 H new ATOM 0 HA ALA A 48 33.241 29.232 5.264 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.759 28.227 3.059 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.324 27.116 4.380 1.00 25.00 H new ATOM 0 HB3 ALA A 48 31.053 28.022 3.525 1.00 25.00 H new ATOM 720 N LEU A 49 30.651 30.893 4.137 1.00 25.00 N ATOM 721 CA LEU A 49 30.236 32.187 3.609 1.00 25.00 C ATOM 722 C LEU A 49 30.623 33.298 4.577 1.00 25.00 C ATOM 723 O LEU A 49 31.094 34.352 4.166 1.00 25.00 O ATOM 724 CB LEU A 49 28.713 32.210 3.423 1.00 25.00 C ATOM 725 CG LEU A 49 28.144 33.496 2.818 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.393 33.521 1.325 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.662 33.586 3.120 1.00 25.00 C ATOM 0 H LEU A 49 29.879 30.283 4.407 1.00 25.00 H new ATOM 0 HA LEU A 49 30.732 32.344 2.651 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.429 31.372 2.786 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.243 32.046 4.393 1.00 25.00 H new ATOM 0 HG LEU A 49 28.643 34.358 3.260 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.985 34.440 0.903 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.465 33.479 1.134 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.908 32.662 0.861 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.258 34.502 2.689 1.00 25.00 H new ATOM 0 HD22 LEU A 49 26.150 32.725 2.689 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.511 33.595 4.199 1.00 25.00 H new ATOM 739 N LEU A 50 30.412 33.059 5.867 1.00 25.00 N ATOM 740 CA LEU A 50 30.637 34.089 6.894 1.00 25.00 C ATOM 741 C LEU A 50 32.099 34.488 6.958 1.00 25.00 C ATOM 742 O LEU A 50 32.435 35.598 7.346 1.00 25.00 O ATOM 743 CB LEU A 50 30.228 33.588 8.288 1.00 25.00 C ATOM 744 CG LEU A 50 28.832 32.985 8.505 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.544 32.866 9.987 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.712 33.738 7.799 1.00 25.00 C ATOM 0 H LEU A 50 30.086 32.165 6.233 1.00 25.00 H new ATOM 0 HA LEU A 50 30.025 34.946 6.611 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.957 32.836 8.590 1.00 25.00 H new ATOM 0 HB3 LEU A 50 30.331 34.426 8.977 1.00 25.00 H new ATOM 0 HG LEU A 50 28.852 31.996 8.048 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.552 32.438 10.132 1.00 25.00 H new ATOM 0 HD12 LEU A 50 29.289 32.221 10.452 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.583 33.854 10.446 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.760 33.248 8.003 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.678 34.765 8.164 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.896 33.741 6.725 1.00 25.00 H new ATOM 758 N SER A 51 32.965 33.557 6.592 1.00 25.00 N ATOM 759 CA SER A 51 34.395 33.789 6.611 1.00 25.00 C ATOM 760 C SER A 51 34.853 34.672 5.449 1.00 25.00 C ATOM 761 O SER A 51 35.941 35.228 5.482 1.00 25.00 O ATOM 762 CB SER A 51 35.095 32.450 6.517 1.00 25.00 C ATOM 763 OG SER A 51 34.685 31.579 7.564 1.00 25.00 O ATOM 0 H SER A 51 32.696 32.625 6.276 1.00 25.00 H new ATOM 0 HA SER A 51 34.645 34.307 7.537 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.878 31.991 5.553 1.00 25.00 H new ATOM 0 HB3 SER A 51 36.174 32.597 6.565 1.00 25.00 H new ATOM 0 HG SER A 51 33.762 31.289 7.406 1.00 25.00 H new ATOM 769 N GLY A 52 34.045 34.753 4.399 1.00 25.00 N ATOM 770 CA GLY A 52 34.401 35.531 3.217 1.00 25.00 C ATOM 771 C GLY A 52 35.251 34.743 2.233 1.00 25.00 C ATOM 772 O GLY A 52 35.194 34.963 1.020 1.00 25.00 O ATOM 0 H GLY A 52 33.138 34.290 4.341 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.491 35.865 2.719 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.943 36.425 3.525 1.00 25.00 H new ATOM 776 N ASP A 53 36.021 33.808 2.775 1.00 25.00 N ATOM 777 CA ASP A 53 36.890 32.915 2.027 1.00 25.00 C ATOM 778 C ASP A 53 36.131 32.143 0.951 1.00 25.00 C ATOM 779 O ASP A 53 35.461 31.147 1.233 1.00 25.00 O ATOM 780 CB ASP A 53 37.507 31.938 3.003 1.00 25.00 C ATOM 781 CG ASP A 53 38.537 32.567 3.898 1.00 25.00 C ATOM 782 OD1 ASP A 53 39.365 33.361 3.414 1.00 25.00 O ATOM 783 OD2 ASP A 53 38.524 32.234 5.105 1.00 25.00 O ATOM 0 H ASP A 53 36.057 33.647 3.782 1.00 25.00 H new ATOM 0 HA ASP A 53 37.651 33.510 1.523 1.00 25.00 H new ATOM 0 HB2 ASP A 53 36.719 31.501 3.617 1.00 25.00 H new ATOM 0 HB3 ASP A 53 37.968 31.121 2.447 1.00 25.00 H new ATOM 788 N LEU A 54 36.263 32.578 -0.295 1.00 25.00 N ATOM 789 CA LEU A 54 35.620 31.888 -1.413 1.00 25.00 C ATOM 790 C LEU A 54 36.184 30.474 -1.467 1.00 25.00 C ATOM 791 O LEU A 54 35.482 29.529 -1.779 1.00 25.00 O ATOM 792 CB LEU A 54 35.885 32.610 -2.738 1.00 25.00 C ATOM 793 CG LEU A 54 35.263 32.021 -4.031 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.178 30.988 -4.703 1.00 25.00 C ATOM 795 CD2 LEU A 54 33.853 31.428 -3.848 1.00 25.00 C ATOM 0 H LEU A 54 36.805 33.400 -0.560 1.00 25.00 H new ATOM 0 HA LEU A 54 34.540 31.872 -1.264 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.530 33.635 -2.635 1.00 25.00 H new ATOM 0 HB3 LEU A 54 36.965 32.659 -2.880 1.00 25.00 H new ATOM 0 HG LEU A 54 35.159 32.885 -4.687 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.696 30.606 -5.603 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.124 31.459 -4.969 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.364 30.164 -4.014 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.495 31.039 -4.801 1.00 25.00 H new ATOM 0 HD22 LEU A 54 33.890 30.620 -3.118 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.175 32.205 -3.495 1.00 25.00 H new ATOM 807 N GLU A 55 37.458 30.324 -1.145 1.00 25.00 N ATOM 808 CA GLU A 55 38.086 29.010 -1.190 1.00 25.00 C ATOM 809 C GLU A 55 37.381 27.997 -0.287 1.00 25.00 C ATOM 810 O GLU A 55 37.092 26.892 -0.732 1.00 25.00 O ATOM 811 CB GLU A 55 39.581 29.098 -0.866 1.00 25.00 C ATOM 812 CG GLU A 55 39.935 29.806 0.437 1.00 25.00 C ATOM 813 CD GLU A 55 41.435 29.851 0.638 1.00 25.00 C ATOM 814 OE1 GLU A 55 42.106 30.629 -0.072 1.00 25.00 O ATOM 815 OE2 GLU A 55 41.949 29.052 1.449 1.00 25.00 O ATOM 0 H GLU A 55 38.073 31.084 -0.853 1.00 25.00 H new ATOM 0 HA GLU A 55 37.983 28.646 -2.212 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.986 28.087 -0.830 1.00 25.00 H new ATOM 0 HB3 GLU A 55 40.082 29.613 -1.686 1.00 25.00 H new ATOM 0 HG2 GLU A 55 39.535 30.820 0.425 1.00 25.00 H new ATOM 0 HG3 GLU A 55 39.467 29.289 1.275 1.00 25.00 H new ATOM 822 N LYS A 56 37.035 28.361 0.946 1.00 25.00 N ATOM 823 CA LYS A 56 36.322 27.422 1.810 1.00 25.00 C ATOM 824 C LYS A 56 34.868 27.337 1.405 1.00 25.00 C ATOM 825 O LYS A 56 34.286 26.277 1.488 1.00 25.00 O ATOM 826 CB LYS A 56 36.489 27.738 3.307 1.00 25.00 C ATOM 827 CG LYS A 56 35.825 28.942 3.834 1.00 25.00 C ATOM 828 CD LYS A 56 36.390 29.309 5.221 1.00 25.00 C ATOM 829 CE LYS A 56 35.749 28.518 6.368 1.00 25.00 C ATOM 830 NZ LYS A 56 36.176 29.050 7.709 1.00 25.00 N ATOM 0 H LYS A 56 37.229 29.272 1.361 1.00 25.00 H new ATOM 0 HA LYS A 56 36.775 26.441 1.669 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.125 26.880 3.873 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.556 27.827 3.513 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.968 29.774 3.145 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.751 28.770 3.907 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.466 29.133 5.225 1.00 25.00 H new ATOM 0 HD3 LYS A 56 36.240 30.374 5.396 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.663 28.568 6.284 1.00 25.00 H new ATOM 0 HE3 LYS A 56 36.027 27.467 6.287 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.866 28.397 8.456 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 37.212 29.138 7.734 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.746 29.984 7.865 1.00 25.00 H new ATOM 844 N PHE A 57 34.299 28.422 0.904 1.00 25.00 N ATOM 845 CA PHE A 57 32.918 28.384 0.422 1.00 25.00 C ATOM 846 C PHE A 57 32.781 27.374 -0.711 1.00 25.00 C ATOM 847 O PHE A 57 31.950 26.485 -0.647 1.00 25.00 O ATOM 848 CB PHE A 57 32.451 29.768 -0.028 1.00 25.00 C ATOM 849 CG PHE A 57 31.026 29.784 -0.496 1.00 25.00 C ATOM 850 CD1 PHE A 57 29.971 29.881 0.431 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.725 29.678 -1.868 1.00 25.00 C ATOM 852 CE1 PHE A 57 28.630 29.876 -0.008 1.00 25.00 C ATOM 853 CE2 PHE A 57 29.386 29.668 -2.313 1.00 25.00 C ATOM 854 CZ PHE A 57 28.342 29.770 -1.385 1.00 25.00 C ATOM 0 H PHE A 57 34.759 29.328 0.819 1.00 25.00 H new ATOM 0 HA PHE A 57 32.279 28.071 1.248 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.564 30.470 0.799 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.096 30.118 -0.834 1.00 25.00 H new ATOM 0 HD1 PHE A 57 30.190 29.960 1.486 1.00 25.00 H new ATOM 0 HD2 PHE A 57 31.528 29.604 -2.587 1.00 25.00 H new ATOM 0 HE1 PHE A 57 27.826 29.953 0.709 1.00 25.00 H new ATOM 0 HE2 PHE A 57 29.167 29.582 -3.367 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.316 29.768 -1.724 1.00 25.00 H new ATOM 864 N SER A 58 33.635 27.481 -1.717 1.00 25.00 N ATOM 865 CA SER A 58 33.644 26.552 -2.844 1.00 25.00 C ATOM 866 C SER A 58 33.983 25.133 -2.398 1.00 25.00 C ATOM 867 O SER A 58 33.385 24.164 -2.866 1.00 25.00 O ATOM 868 CB SER A 58 34.677 27.017 -3.877 1.00 25.00 C ATOM 869 OG SER A 58 34.652 26.187 -5.023 1.00 25.00 O ATOM 0 H SER A 58 34.343 28.213 -1.778 1.00 25.00 H new ATOM 0 HA SER A 58 32.646 26.542 -3.282 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.471 28.048 -4.165 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.673 27.003 -3.434 1.00 25.00 H new ATOM 0 HG SER A 58 35.317 26.502 -5.670 1.00 25.00 H new ATOM 875 N ARG A 59 34.914 25.008 -1.462 1.00 25.00 N ATOM 876 CA ARG A 59 35.292 23.696 -0.943 1.00 25.00 C ATOM 877 C ARG A 59 34.097 23.020 -0.294 1.00 25.00 C ATOM 878 O ARG A 59 33.803 21.877 -0.583 1.00 25.00 O ATOM 879 CB ARG A 59 36.425 23.846 0.068 1.00 25.00 C ATOM 880 CG ARG A 59 36.957 22.534 0.624 1.00 25.00 C ATOM 881 CD ARG A 59 37.026 22.591 2.145 1.00 25.00 C ATOM 882 NE ARG A 59 37.761 21.440 2.696 1.00 25.00 N ATOM 883 CZ ARG A 59 39.057 21.421 2.989 1.00 25.00 C ATOM 884 NH1 ARG A 59 39.840 22.460 2.816 1.00 25.00 N ATOM 885 NH2 ARG A 59 39.578 20.325 3.468 1.00 25.00 N ATOM 0 H ARG A 59 35.419 25.791 -1.048 1.00 25.00 H new ATOM 0 HA ARG A 59 35.634 23.075 -1.771 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.246 24.385 -0.404 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.075 24.461 0.897 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.312 21.712 0.313 1.00 25.00 H new ATOM 0 HG3 ARG A 59 37.948 22.334 0.216 1.00 25.00 H new ATOM 0 HD2 ARG A 59 37.513 23.516 2.454 1.00 25.00 H new ATOM 0 HD3 ARG A 59 36.016 22.610 2.556 1.00 25.00 H new ATOM 0 HE ARG A 59 37.231 20.586 2.867 1.00 25.00 H new ATOM 0 HH11 ARG A 59 39.459 23.329 2.442 1.00 25.00 H new ATOM 0 HH12 ARG A 59 40.830 22.398 3.055 1.00 25.00 H new ATOM 0 HH21 ARG A 59 38.992 19.502 3.611 1.00 25.00 H new ATOM 0 HH22 ARG A 59 40.571 20.291 3.699 1.00 25.00 H new ATOM 899 N VAL A 60 33.387 23.716 0.574 1.00 25.00 N ATOM 900 CA VAL A 60 32.242 23.106 1.235 1.00 25.00 C ATOM 901 C VAL A 60 31.138 22.881 0.207 1.00 25.00 C ATOM 902 O VAL A 60 30.440 21.880 0.259 1.00 25.00 O ATOM 903 CB VAL A 60 31.726 23.948 2.435 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.527 23.252 3.088 1.00 25.00 C ATOM 905 CG2 VAL A 60 32.839 24.115 3.490 1.00 25.00 C ATOM 0 H VAL A 60 33.574 24.684 0.836 1.00 25.00 H new ATOM 0 HA VAL A 60 32.559 22.150 1.653 1.00 25.00 H new ATOM 0 HB VAL A 60 31.427 24.928 2.062 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.172 23.850 3.928 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.726 23.144 2.356 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.828 22.267 3.445 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.463 24.707 4.325 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.148 23.134 3.851 1.00 25.00 H new ATOM 0 HG23 VAL A 60 33.693 24.622 3.041 1.00 25.00 H new ATOM 915 N LEU A 61 31.017 23.774 -0.765 1.00 25.00 N ATOM 916 CA LEU A 61 30.007 23.627 -1.811 1.00 25.00 C ATOM 917 C LEU A 61 30.164 22.298 -2.547 1.00 25.00 C ATOM 918 O LEU A 61 29.181 21.592 -2.757 1.00 25.00 O ATOM 919 CB LEU A 61 30.098 24.784 -2.813 1.00 25.00 C ATOM 920 CG LEU A 61 28.837 25.009 -3.657 1.00 25.00 C ATOM 921 CD1 LEU A 61 27.995 26.062 -2.977 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.149 25.473 -5.074 1.00 25.00 C ATOM 0 H LEU A 61 31.601 24.605 -0.854 1.00 25.00 H new ATOM 0 HA LEU A 61 29.029 23.644 -1.330 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.321 25.701 -2.267 1.00 25.00 H new ATOM 0 HB3 LEU A 61 30.938 24.600 -3.483 1.00 25.00 H new ATOM 0 HG LEU A 61 28.314 24.056 -3.735 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.092 26.238 -3.561 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.721 25.720 -1.979 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.564 26.989 -2.900 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.218 25.616 -5.623 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.696 26.415 -5.036 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.756 24.721 -5.578 1.00 25.00 H new ATOM 934 N VAL A 62 31.384 21.939 -2.930 1.00 25.00 N ATOM 935 CA VAL A 62 31.596 20.679 -3.650 1.00 25.00 C ATOM 936 C VAL A 62 31.483 19.476 -2.707 1.00 25.00 C ATOM 937 O VAL A 62 30.937 18.451 -3.085 1.00 25.00 O ATOM 938 CB VAL A 62 32.943 20.675 -4.456 1.00 25.00 C ATOM 939 CG1 VAL A 62 34.179 20.693 -3.558 1.00 25.00 C ATOM 940 CG2 VAL A 62 32.998 19.472 -5.395 1.00 25.00 C ATOM 0 H VAL A 62 32.228 22.486 -2.761 1.00 25.00 H new ATOM 0 HA VAL A 62 30.799 20.590 -4.388 1.00 25.00 H new ATOM 0 HB VAL A 62 32.959 21.598 -5.036 1.00 25.00 H new ATOM 0 HG11 VAL A 62 35.077 20.689 -4.175 1.00 25.00 H new ATOM 0 HG12 VAL A 62 34.167 21.591 -2.940 1.00 25.00 H new ATOM 0 HG13 VAL A 62 34.176 19.812 -2.917 1.00 25.00 H new ATOM 0 HG21 VAL A 62 33.938 19.484 -5.947 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.930 18.553 -4.813 1.00 25.00 H new ATOM 0 HG23 VAL A 62 32.165 19.520 -6.097 1.00 25.00 H new ATOM 950 N GLU A 63 31.918 19.611 -1.464 1.00 25.00 N ATOM 951 CA GLU A 63 31.767 18.522 -0.482 1.00 25.00 C ATOM 952 C GLU A 63 30.280 18.212 -0.271 1.00 25.00 C ATOM 953 O GLU A 63 29.869 17.048 -0.237 1.00 25.00 O ATOM 954 CB GLU A 63 32.403 18.896 0.865 1.00 25.00 C ATOM 955 CG GLU A 63 33.933 18.948 0.859 1.00 25.00 C ATOM 956 CD GLU A 63 34.574 17.621 0.503 1.00 25.00 C ATOM 957 OE1 GLU A 63 35.402 17.595 -0.433 1.00 25.00 O ATOM 958 OE2 GLU A 63 34.275 16.610 1.172 1.00 25.00 O ATOM 0 H GLU A 63 32.375 20.449 -1.104 1.00 25.00 H new ATOM 0 HA GLU A 63 32.278 17.643 -0.875 1.00 25.00 H new ATOM 0 HB2 GLU A 63 32.021 19.869 1.173 1.00 25.00 H new ATOM 0 HB3 GLU A 63 32.081 18.175 1.616 1.00 25.00 H new ATOM 0 HG2 GLU A 63 34.262 19.705 0.147 1.00 25.00 H new ATOM 0 HG3 GLU A 63 34.283 19.261 1.842 1.00 25.00 H new