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= 1.73 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -170:sc= 0.623 (180deg=0) USER MOD Single : A 27 MET CE :methyl -116:sc= 0 (180deg=-0.428) USER MOD Single : A 31 ASN : amide:sc= -1.67 K(o=-1.7,f=-7!) USER MOD Single : A 33 HIS : no HD1:sc= -0.122 X(o=-0.12,f=0.0074) 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= -0.0147 K(o=-0.015,f=-2.4) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0367 USER MOD ----------------------------------------------------------------- ATOM 272 N PRO A 21 30.699 28.947 -7.507 1.00 25.00 N ATOM 273 CA PRO A 21 30.621 29.336 -6.094 1.00 25.00 C ATOM 274 C PRO A 21 30.884 30.815 -5.878 1.00 25.00 C ATOM 275 O PRO A 21 30.378 31.394 -4.938 1.00 25.00 O ATOM 276 CB PRO A 21 31.732 28.498 -5.440 1.00 25.00 C ATOM 277 CG PRO A 21 32.620 28.144 -6.539 1.00 25.00 C ATOM 278 CD PRO A 21 31.754 27.943 -7.717 1.00 25.00 C ATOM 0 HA PRO A 21 29.627 29.164 -5.680 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.258 29.066 -4.673 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.326 27.610 -4.956 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.349 28.934 -6.721 1.00 25.00 H new ATOM 0 HG3 PRO A 21 33.182 27.239 -6.310 1.00 25.00 H new ATOM 0 HD2 PRO A 21 32.292 28.108 -8.650 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.350 26.931 -7.757 1.00 25.00 H new ATOM 286 N ALA A 22 31.656 31.435 -6.759 1.00 25.00 N ATOM 287 CA ALA A 22 31.968 32.851 -6.639 1.00 25.00 C ATOM 288 C ALA A 22 30.711 33.716 -6.691 1.00 25.00 C ATOM 289 O ALA A 22 30.561 34.651 -5.910 1.00 25.00 O ATOM 290 CB ALA A 22 32.918 33.247 -7.752 1.00 25.00 C ATOM 0 H ALA A 22 32.079 30.978 -7.567 1.00 25.00 H new ATOM 0 HA ALA A 22 32.437 33.017 -5.669 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.156 34.307 -7.667 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.835 32.662 -7.673 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.448 33.056 -8.717 1.00 25.00 H new ATOM 296 N LEU A 23 29.826 33.397 -7.624 1.00 25.00 N ATOM 297 CA LEU A 23 28.610 34.173 -7.834 1.00 25.00 C ATOM 298 C LEU A 23 27.581 33.845 -6.773 1.00 25.00 C ATOM 299 O LEU A 23 26.860 34.712 -6.305 1.00 25.00 O ATOM 300 CB LEU A 23 28.015 33.865 -9.211 1.00 25.00 C ATOM 301 CG LEU A 23 28.945 34.087 -10.414 1.00 25.00 C ATOM 302 CD1 LEU A 23 28.225 33.669 -11.680 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.402 35.529 -10.543 1.00 25.00 C ATOM 0 H LEU A 23 29.928 32.600 -8.253 1.00 25.00 H new ATOM 0 HA LEU A 23 28.870 35.230 -7.774 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.687 32.826 -9.218 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.126 34.481 -9.346 1.00 25.00 H new ATOM 0 HG LEU A 23 29.837 33.481 -10.256 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.879 33.824 -12.538 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.956 32.615 -11.614 1.00 25.00 H new ATOM 0 HD13 LEU A 23 27.322 34.267 -11.799 1.00 25.00 H new ATOM 0 HD21 LEU A 23 30.056 35.627 -11.409 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.534 36.176 -10.669 1.00 25.00 H new ATOM 0 HD23 LEU A 23 29.945 35.821 -9.644 1.00 25.00 H new ATOM 315 N LEU A 24 27.522 32.582 -6.379 1.00 25.00 N ATOM 316 CA LEU A 24 26.580 32.177 -5.349 1.00 25.00 C ATOM 317 C LEU A 24 26.970 32.820 -4.023 1.00 25.00 C ATOM 318 O LEU A 24 26.121 33.298 -3.288 1.00 25.00 O ATOM 319 CB LEU A 24 26.544 30.652 -5.230 1.00 25.00 C ATOM 320 CG LEU A 24 25.549 30.089 -4.204 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.150 30.684 -4.333 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.476 28.590 -4.354 1.00 25.00 C ATOM 0 H LEU A 24 28.105 31.832 -6.750 1.00 25.00 H new ATOM 0 HA LEU A 24 25.579 32.514 -5.621 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.305 30.235 -6.208 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.543 30.302 -4.970 1.00 25.00 H new ATOM 0 HG LEU A 24 25.917 30.364 -3.216 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.497 30.244 -3.580 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.198 31.763 -4.186 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.754 30.471 -5.326 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.771 28.186 -3.628 1.00 25.00 H new ATOM 0 HD22 LEU A 24 25.142 28.341 -5.361 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.462 28.159 -4.181 1.00 25.00 H new ATOM 334 N ARG A 25 28.267 32.886 -3.757 1.00 25.00 N ATOM 335 CA ARG A 25 28.793 33.562 -2.571 1.00 25.00 C ATOM 336 C ARG A 25 28.344 35.015 -2.576 1.00 25.00 C ATOM 337 O ARG A 25 27.896 35.520 -1.563 1.00 25.00 O ATOM 338 CB ARG A 25 30.330 33.439 -2.572 1.00 25.00 C ATOM 339 CG ARG A 25 31.110 34.327 -1.585 1.00 25.00 C ATOM 340 CD ARG A 25 31.634 35.623 -2.246 1.00 25.00 C ATOM 341 NE ARG A 25 32.454 35.367 -3.446 1.00 25.00 N ATOM 342 CZ ARG A 25 33.757 35.605 -3.567 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.487 36.102 -2.601 1.00 25.00 N ATOM 344 NH2 ARG A 25 34.336 35.334 -4.696 1.00 25.00 N ATOM 0 H ARG A 25 28.985 32.475 -4.353 1.00 25.00 H new ATOM 0 HA ARG A 25 28.411 33.100 -1.661 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.585 32.400 -2.365 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.685 33.660 -3.578 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.465 34.586 -0.745 1.00 25.00 H new ATOM 0 HG3 ARG A 25 31.950 33.764 -1.180 1.00 25.00 H new ATOM 0 HD2 ARG A 25 30.787 36.253 -2.519 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.226 36.181 -1.520 1.00 25.00 H new ATOM 0 HE ARG A 25 31.978 34.971 -4.257 1.00 25.00 H new ATOM 0 HH11 ARG A 25 34.060 36.326 -1.702 1.00 25.00 H new ATOM 0 HH12 ARG A 25 35.483 36.265 -2.747 1.00 25.00 H new ATOM 0 HH21 ARG A 25 33.793 34.947 -5.468 1.00 25.00 H new ATOM 0 HH22 ARG A 25 35.334 35.508 -4.812 1.00 25.00 H new ATOM 358 N ASP A 26 28.438 35.670 -3.721 1.00 25.00 N ATOM 359 CA ASP A 26 28.043 37.078 -3.831 1.00 25.00 C ATOM 360 C ASP A 26 26.544 37.259 -3.578 1.00 25.00 C ATOM 361 O ASP A 26 26.134 38.110 -2.793 1.00 25.00 O ATOM 362 CB ASP A 26 28.394 37.603 -5.225 1.00 25.00 C ATOM 363 CG ASP A 26 28.242 39.107 -5.333 1.00 25.00 C ATOM 364 OD1 ASP A 26 27.709 39.579 -6.360 1.00 25.00 O ATOM 365 OD2 ASP A 26 28.685 39.820 -4.408 1.00 25.00 O ATOM 0 H ASP A 26 28.782 35.258 -4.588 1.00 25.00 H new ATOM 0 HA ASP A 26 28.586 37.642 -3.073 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.420 37.326 -5.466 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.752 37.122 -5.963 1.00 25.00 H new ATOM 370 N MET A 27 25.732 36.418 -4.207 1.00 25.00 N ATOM 371 CA MET A 27 24.272 36.484 -4.049 1.00 25.00 C ATOM 372 C MET A 27 23.884 36.291 -2.600 1.00 25.00 C ATOM 373 O MET A 27 23.124 37.063 -2.034 1.00 25.00 O ATOM 374 CB MET A 27 23.608 35.396 -4.901 1.00 25.00 C ATOM 375 CG MET A 27 22.085 35.485 -4.955 1.00 25.00 C ATOM 376 SD MET A 27 21.195 34.829 -3.503 1.00 25.00 S ATOM 377 CE MET A 27 21.328 33.052 -3.743 1.00 25.00 C ATOM 0 H MET A 27 26.053 35.680 -4.833 1.00 25.00 H new ATOM 0 HA MET A 27 23.934 37.467 -4.377 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.000 35.456 -5.916 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.890 34.420 -4.507 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.806 36.531 -5.086 1.00 25.00 H new ATOM 0 HG3 MET A 27 21.740 34.950 -5.840 1.00 25.00 H new ATOM 0 HE1 MET A 27 20.334 32.630 -3.892 1.00 25.00 H new ATOM 0 HE2 MET A 27 21.944 32.848 -4.619 1.00 25.00 H new ATOM 0 HE3 MET A 27 21.786 32.599 -2.864 1.00 25.00 H new ATOM 387 N LEU A 28 24.425 35.246 -2.004 1.00 25.00 N ATOM 388 CA LEU A 28 24.124 34.903 -0.624 1.00 25.00 C ATOM 389 C LEU A 28 24.540 35.991 0.346 1.00 25.00 C ATOM 390 O LEU A 28 23.802 36.318 1.258 1.00 25.00 O ATOM 391 CB LEU A 28 24.822 33.631 -0.258 1.00 25.00 C ATOM 392 CG LEU A 28 24.142 32.393 -0.836 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.072 31.279 -0.628 1.00 25.00 C ATOM 394 CD2 LEU A 28 22.800 32.107 -0.177 1.00 25.00 C ATOM 0 H LEU A 28 25.083 34.612 -2.458 1.00 25.00 H new ATOM 0 HA LEU A 28 23.043 34.785 -0.550 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.852 33.673 -0.613 1.00 25.00 H new ATOM 0 HB3 LEU A 28 24.862 33.544 0.828 1.00 25.00 H new ATOM 0 HG LEU A 28 23.922 32.544 -1.893 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.636 30.362 -1.024 1.00 25.00 H new ATOM 0 HD12 LEU A 28 26.010 31.487 -1.143 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.263 31.159 0.438 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.358 31.217 -0.624 1.00 25.00 H new ATOM 0 HD22 LEU A 28 22.947 31.943 0.891 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.134 32.957 -0.325 1.00 25.00 H new ATOM 406 N LEU A 29 25.717 36.559 0.146 1.00 25.00 N ATOM 407 CA LEU A 29 26.209 37.624 1.032 1.00 25.00 C ATOM 408 C LEU A 29 25.304 38.840 0.954 1.00 25.00 C ATOM 409 O LEU A 29 25.056 39.512 1.953 1.00 25.00 O ATOM 410 CB LEU A 29 27.628 38.048 0.636 1.00 25.00 C ATOM 411 CG LEU A 29 28.772 37.144 1.108 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.041 37.502 0.354 1.00 25.00 C ATOM 413 CD2 LEU A 29 29.007 37.265 2.615 1.00 25.00 C ATOM 0 H LEU A 29 26.352 36.310 -0.613 1.00 25.00 H new ATOM 0 HA LEU A 29 26.215 37.230 2.048 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.673 38.114 -0.451 1.00 25.00 H new ATOM 0 HB3 LEU A 29 27.804 39.051 1.024 1.00 25.00 H new ATOM 0 HG LEU A 29 28.495 36.110 0.902 1.00 25.00 H new ATOM 0 HD11 LEU A 29 30.856 36.860 0.688 1.00 25.00 H new ATOM 0 HD12 LEU A 29 29.882 37.359 -0.715 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.297 38.544 0.547 1.00 25.00 H new ATOM 0 HD21 LEU A 29 29.826 36.609 2.909 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.262 38.296 2.862 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.101 36.977 3.149 1.00 25.00 H new ATOM 425 N ALA A 30 24.826 39.120 -0.246 1.00 25.00 N ATOM 426 CA ALA A 30 23.975 40.277 -0.487 1.00 25.00 C ATOM 427 C ALA A 30 22.532 40.044 -0.022 1.00 25.00 C ATOM 428 O ALA A 30 21.765 40.997 0.128 1.00 25.00 O ATOM 429 CB ALA A 30 23.994 40.616 -1.983 1.00 25.00 C ATOM 0 H ALA A 30 25.014 38.558 -1.076 1.00 25.00 H new ATOM 0 HA ALA A 30 24.370 41.110 0.095 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.358 41.482 -2.168 1.00 25.00 H new ATOM 0 HB2 ALA A 30 25.014 40.843 -2.292 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.623 39.765 -2.554 1.00 25.00 H new ATOM 435 N ASN A 31 22.144 38.788 0.154 1.00 25.00 N ATOM 436 CA ASN A 31 20.758 38.452 0.462 1.00 25.00 C ATOM 437 C ASN A 31 20.558 38.081 1.936 1.00 25.00 C ATOM 438 O ASN A 31 20.887 36.971 2.357 1.00 25.00 O ATOM 439 CB ASN A 31 20.300 37.302 -0.428 1.00 25.00 C ATOM 440 CG ASN A 31 18.818 37.141 -0.423 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.158 37.335 0.599 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.279 36.776 -1.546 1.00 25.00 N ATOM 0 H ASN A 31 22.769 37.984 0.089 1.00 25.00 H new ATOM 0 HA ASN A 31 20.156 39.340 0.269 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.641 37.477 -1.448 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.765 36.376 -0.090 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.270 36.639 -1.607 1.00 25.00 H new ATOM 0 HD22 ASN A 31 18.864 36.627 -2.368 1.00 25.00 H new ATOM 449 N PRO A 32 19.981 38.993 2.738 1.00 25.00 N ATOM 450 CA PRO A 32 19.876 38.684 4.168 1.00 25.00 C ATOM 451 C PRO A 32 18.934 37.531 4.531 1.00 25.00 C ATOM 452 O PRO A 32 19.120 36.886 5.561 1.00 25.00 O ATOM 453 CB PRO A 32 19.386 40.007 4.763 1.00 25.00 C ATOM 454 CG PRO A 32 18.636 40.650 3.652 1.00 25.00 C ATOM 455 CD PRO A 32 19.448 40.337 2.441 1.00 25.00 C ATOM 0 HA PRO A 32 20.831 38.327 4.555 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.748 39.841 5.631 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.219 40.628 5.093 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.625 40.251 3.569 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.543 41.725 3.803 1.00 25.00 H new ATOM 0 HD2 PRO A 32 18.841 40.340 1.536 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.246 41.064 2.291 1.00 25.00 H new ATOM 463 N HIS A 33 17.926 37.264 3.712 1.00 25.00 N ATOM 464 CA HIS A 33 17.002 36.168 3.994 1.00 25.00 C ATOM 465 C HIS A 33 17.656 34.836 3.665 1.00 25.00 C ATOM 466 O HIS A 33 17.567 33.865 4.417 1.00 25.00 O ATOM 467 CB HIS A 33 15.727 36.319 3.160 1.00 25.00 C ATOM 468 CG HIS A 33 14.699 35.268 3.448 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.780 35.344 4.464 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.443 34.078 2.829 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.034 34.244 4.436 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.397 33.434 3.464 1.00 25.00 N ATOM 0 H HIS A 33 17.726 37.782 2.857 1.00 25.00 H new ATOM 0 HA HIS A 33 16.747 36.199 5.053 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.294 37.301 3.347 1.00 25.00 H new ATOM 0 HB3 HIS A 33 15.987 36.282 2.102 1.00 25.00 H new ATOM 0 HD2 HIS A 33 14.978 33.697 1.972 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.229 34.040 5.126 1.00 25.00 H new ATOM 0 HE2 HIS A 33 12.994 32.527 3.230 1.00 25.00 H new ATOM 480 N GLU A 34 18.317 34.802 2.526 1.00 25.00 N ATOM 481 CA GLU A 34 18.888 33.575 2.003 1.00 25.00 C ATOM 482 C GLU A 34 20.083 33.171 2.835 1.00 25.00 C ATOM 483 O GLU A 34 20.281 32.007 3.141 1.00 25.00 O ATOM 484 CB GLU A 34 19.297 33.801 0.558 1.00 25.00 C ATOM 485 CG GLU A 34 18.320 33.247 -0.451 1.00 25.00 C ATOM 486 CD GLU A 34 16.866 33.626 -0.157 1.00 25.00 C ATOM 487 OE1 GLU A 34 16.498 34.812 -0.297 1.00 25.00 O ATOM 488 OE2 GLU A 34 16.096 32.728 0.232 1.00 25.00 O ATOM 0 H GLU A 34 18.474 35.620 1.938 1.00 25.00 H new ATOM 0 HA GLU A 34 18.152 32.772 2.048 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.412 34.871 0.387 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.273 33.345 0.392 1.00 25.00 H new ATOM 0 HG2 GLU A 34 18.589 33.609 -1.443 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.408 32.161 -0.473 1.00 25.00 H new ATOM 495 N LEU A 35 20.854 34.146 3.271 1.00 25.00 N ATOM 496 CA LEU A 35 21.990 33.872 4.132 1.00 25.00 C ATOM 497 C LEU A 35 21.523 33.329 5.483 1.00 25.00 C ATOM 498 O LEU A 35 22.231 32.571 6.133 1.00 25.00 O ATOM 499 CB LEU A 35 22.856 35.102 4.232 1.00 25.00 C ATOM 500 CG LEU A 35 22.656 36.252 5.213 1.00 25.00 C ATOM 501 CD1 LEU A 35 22.790 35.900 6.679 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.723 37.225 4.806 1.00 25.00 C ATOM 0 H LEU A 35 20.717 35.131 3.046 1.00 25.00 H new ATOM 0 HA LEU A 35 22.611 33.087 3.701 1.00 25.00 H new ATOM 0 HB2 LEU A 35 23.869 34.738 4.405 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.845 35.554 3.240 1.00 25.00 H new ATOM 0 HG LEU A 35 21.633 36.624 5.154 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.628 36.792 7.284 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.049 35.145 6.941 1.00 25.00 H new ATOM 0 HD13 LEU A 35 23.789 35.509 6.869 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.678 38.104 5.448 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.701 36.754 4.904 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.566 37.524 3.770 1.00 25.00 H new ATOM 514 N SER A 36 20.338 33.753 5.908 1.00 25.00 N ATOM 515 CA SER A 36 19.749 33.353 7.184 1.00 25.00 C ATOM 516 C SER A 36 19.232 31.926 7.114 1.00 25.00 C ATOM 517 O SER A 36 19.417 31.139 8.037 1.00 25.00 O ATOM 518 CB SER A 36 18.610 34.296 7.570 1.00 25.00 C ATOM 519 OG SER A 36 18.172 34.040 8.893 1.00 25.00 O ATOM 0 H SER A 36 19.751 34.392 5.371 1.00 25.00 H new ATOM 0 HA SER A 36 20.528 33.408 7.945 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.944 35.330 7.486 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.778 34.172 6.876 1.00 25.00 H new ATOM 0 HG SER A 36 17.444 34.655 9.121 1.00 25.00 H new ATOM 525 N LEU A 37 18.619 31.563 6.000 1.00 25.00 N ATOM 526 CA LEU A 37 18.141 30.203 5.839 1.00 25.00 C ATOM 527 C LEU A 37 19.318 29.308 5.721 1.00 25.00 C ATOM 528 O LEU A 37 19.303 28.188 6.155 1.00 25.00 O ATOM 529 CB LEU A 37 17.223 30.084 4.639 1.00 25.00 C ATOM 530 CG LEU A 37 17.619 30.001 3.158 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.285 28.694 2.765 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.341 30.170 2.354 1.00 25.00 C ATOM 0 H LEU A 37 18.443 32.180 5.207 1.00 25.00 H new ATOM 0 HA LEU A 37 17.550 29.911 6.707 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.624 29.192 4.825 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.551 30.939 4.707 1.00 25.00 H new ATOM 0 HG LEU A 37 18.357 30.778 2.961 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.533 28.717 1.704 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.196 28.560 3.348 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.604 27.865 2.961 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.571 30.118 1.290 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.641 29.376 2.613 1.00 25.00 H new ATOM 0 HD23 LEU A 37 15.893 31.137 2.582 1.00 25.00 H new ATOM 544 N LEU A 38 20.355 29.825 5.112 1.00 25.00 N ATOM 545 CA LEU A 38 21.559 29.064 4.903 1.00 25.00 C ATOM 546 C LEU A 38 22.219 28.651 6.201 1.00 25.00 C ATOM 547 O LEU A 38 22.580 27.501 6.363 1.00 25.00 O ATOM 548 CB LEU A 38 22.492 29.895 4.063 1.00 25.00 C ATOM 549 CG LEU A 38 23.755 29.174 3.585 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.389 28.065 2.643 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.690 30.155 2.932 1.00 25.00 C ATOM 0 H LEU A 38 20.388 30.778 4.750 1.00 25.00 H new ATOM 0 HA LEU A 38 21.307 28.135 4.391 1.00 25.00 H new ATOM 0 HB2 LEU A 38 21.946 30.255 3.191 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.789 30.772 4.638 1.00 25.00 H new ATOM 0 HG LEU A 38 24.266 28.735 4.442 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.294 27.558 2.308 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.742 27.352 3.154 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.865 28.478 1.781 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.586 29.634 2.595 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.195 30.616 2.077 1.00 25.00 H new ATOM 0 HD23 LEU A 38 24.967 30.927 3.650 1.00 25.00 H new ATOM 563 N LYS A 39 22.333 29.561 7.150 1.00 25.00 N ATOM 564 CA LYS A 39 22.879 29.193 8.471 1.00 25.00 C ATOM 565 C LYS A 39 21.970 28.246 9.242 1.00 25.00 C ATOM 566 O LYS A 39 22.447 27.470 10.057 1.00 25.00 O ATOM 567 CB LYS A 39 23.240 30.422 9.317 1.00 25.00 C ATOM 568 CG LYS A 39 22.212 31.547 9.289 1.00 25.00 C ATOM 569 CD LYS A 39 22.594 32.736 10.158 1.00 25.00 C ATOM 570 CE LYS A 39 23.735 33.531 9.521 1.00 25.00 C ATOM 571 NZ LYS A 39 24.011 34.806 10.266 1.00 25.00 N ATOM 0 H LYS A 39 22.066 30.540 7.050 1.00 25.00 H new ATOM 0 HA LYS A 39 23.803 28.653 8.266 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.381 30.105 10.350 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.196 30.815 8.971 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.082 31.885 8.261 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.249 31.158 9.621 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.728 33.383 10.298 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.895 32.388 11.146 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.637 32.919 9.501 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.483 33.762 8.486 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.790 35.316 9.804 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 23.158 35.401 10.264 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 24.276 34.584 11.247 1.00 25.00 H new ATOM 585 N GLU A 40 20.678 28.287 8.969 1.00 25.00 N ATOM 586 CA GLU A 40 19.733 27.395 9.636 1.00 25.00 C ATOM 587 C GLU A 40 19.699 26.001 8.970 1.00 25.00 C ATOM 588 O GLU A 40 19.828 24.978 9.634 1.00 25.00 O ATOM 589 CB GLU A 40 18.350 28.057 9.623 1.00 25.00 C ATOM 590 CG GLU A 40 17.331 27.421 10.573 1.00 25.00 C ATOM 591 CD GLU A 40 16.555 26.288 9.930 1.00 25.00 C ATOM 592 OE1 GLU A 40 16.125 26.449 8.774 1.00 25.00 O ATOM 593 OE2 GLU A 40 16.358 25.236 10.570 1.00 25.00 O ATOM 0 H GLU A 40 20.256 28.924 8.294 1.00 25.00 H new ATOM 0 HA GLU A 40 20.051 27.234 10.666 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.463 29.109 9.884 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.954 28.021 8.608 1.00 25.00 H new ATOM 0 HG2 GLU A 40 17.849 27.045 11.455 1.00 25.00 H new ATOM 0 HG3 GLU A 40 16.633 28.185 10.914 1.00 25.00 H new ATOM 600 N ARG A 41 19.541 25.972 7.654 1.00 25.00 N ATOM 601 CA ARG A 41 19.461 24.713 6.886 1.00 25.00 C ATOM 602 C ARG A 41 20.805 24.045 6.623 1.00 25.00 C ATOM 603 O ARG A 41 20.881 22.822 6.490 1.00 25.00 O ATOM 604 CB ARG A 41 18.829 24.985 5.512 1.00 25.00 C ATOM 605 CG ARG A 41 17.385 25.472 5.538 1.00 25.00 C ATOM 606 CD ARG A 41 16.390 24.328 5.775 1.00 25.00 C ATOM 607 NE ARG A 41 16.013 24.223 7.190 1.00 25.00 N ATOM 608 CZ ARG A 41 15.256 23.276 7.727 1.00 25.00 C ATOM 609 NH1 ARG A 41 14.757 22.291 7.021 1.00 25.00 N ATOM 610 NH2 ARG A 41 14.999 23.323 9.000 1.00 25.00 N ATOM 0 H ARG A 41 19.464 26.811 7.080 1.00 25.00 H new ATOM 0 HA ARG A 41 18.866 24.043 7.506 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.435 25.728 4.993 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.874 24.069 4.923 1.00 25.00 H new ATOM 0 HG2 ARG A 41 17.270 26.219 6.323 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.152 25.963 4.593 1.00 25.00 H new ATOM 0 HD2 ARG A 41 15.497 24.491 5.171 1.00 25.00 H new ATOM 0 HD3 ARG A 41 16.831 23.387 5.445 1.00 25.00 H new ATOM 0 HE ARG A 41 16.366 24.945 7.818 1.00 25.00 H new ATOM 0 HH11 ARG A 41 14.947 22.233 6.020 1.00 25.00 H new ATOM 0 HH12 ARG A 41 14.179 21.582 7.472 1.00 25.00 H new ATOM 0 HH21 ARG A 41 15.378 24.080 9.569 1.00 25.00 H new ATOM 0 HH22 ARG A 41 14.418 22.603 9.430 1.00 25.00 H new ATOM 624 N ASN A 42 21.842 24.846 6.433 1.00 25.00 N ATOM 625 CA ASN A 42 23.174 24.339 6.062 1.00 25.00 C ATOM 626 C ASN A 42 24.327 25.044 6.787 1.00 25.00 C ATOM 627 O ASN A 42 25.145 25.722 6.149 1.00 25.00 O ATOM 628 CB ASN A 42 23.385 24.514 4.552 1.00 25.00 C ATOM 629 CG ASN A 42 24.428 23.577 4.001 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.005 22.779 4.715 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.642 23.642 2.720 1.00 25.00 N ATOM 0 H ASN A 42 21.795 25.860 6.528 1.00 25.00 H new ATOM 0 HA ASN A 42 23.191 23.290 6.358 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.440 24.345 4.035 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.681 25.543 4.347 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.313 23.010 2.282 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.139 24.325 2.153 1.00 25.00 H new ATOM 638 N PRO A 43 24.437 24.875 8.117 1.00 25.00 N ATOM 639 CA PRO A 43 25.530 25.599 8.784 1.00 25.00 C ATOM 640 C PRO A 43 26.977 25.411 8.258 1.00 25.00 C ATOM 641 O PRO A 43 27.726 26.386 8.252 1.00 25.00 O ATOM 642 CB PRO A 43 25.390 25.177 10.254 1.00 25.00 C ATOM 643 CG PRO A 43 24.567 23.931 10.236 1.00 25.00 C ATOM 644 CD PRO A 43 23.629 24.107 9.084 1.00 25.00 C ATOM 0 HA PRO A 43 25.412 26.664 8.587 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.366 24.996 10.705 1.00 25.00 H new ATOM 0 HB3 PRO A 43 24.907 25.958 10.842 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.191 23.047 10.106 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.024 23.803 11.172 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.309 23.149 8.673 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.727 24.646 9.375 1.00 25.00 H new ATOM 652 N PRO A 44 27.382 24.207 7.764 1.00 25.00 N ATOM 653 CA PRO A 44 28.772 24.233 7.277 1.00 25.00 C ATOM 654 C PRO A 44 29.014 25.081 6.015 1.00 25.00 C ATOM 655 O PRO A 44 30.084 25.661 5.858 1.00 25.00 O ATOM 656 CB PRO A 44 29.068 22.754 7.008 1.00 25.00 C ATOM 657 CG PRO A 44 27.763 22.177 6.673 1.00 25.00 C ATOM 658 CD PRO A 44 26.806 22.854 7.611 1.00 25.00 C ATOM 0 HA PRO A 44 29.425 24.709 8.009 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.778 22.633 6.190 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.504 22.270 7.882 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.500 22.366 5.632 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.759 21.096 6.812 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.797 22.890 7.200 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.742 22.333 8.566 1.00 25.00 H new ATOM 666 N LEU A 45 28.043 25.178 5.111 1.00 25.00 N ATOM 667 CA LEU A 45 28.224 26.045 3.944 1.00 25.00 C ATOM 668 C LEU A 45 28.064 27.484 4.392 1.00 25.00 C ATOM 669 O LEU A 45 28.733 28.387 3.896 1.00 25.00 O ATOM 670 CB LEU A 45 27.233 25.713 2.830 1.00 25.00 C ATOM 671 CG LEU A 45 27.433 26.487 1.507 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.836 26.290 0.908 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.386 26.029 0.497 1.00 25.00 C ATOM 0 H LEU A 45 27.150 24.686 5.156 1.00 25.00 H new ATOM 0 HA LEU A 45 29.221 25.886 3.532 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.295 24.645 2.619 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.225 25.907 3.195 1.00 25.00 H new ATOM 0 HG LEU A 45 27.323 27.548 1.731 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.918 26.857 -0.019 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.587 26.642 1.616 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.999 25.232 0.702 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.521 26.571 -0.439 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.498 24.960 0.316 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.389 26.228 0.891 1.00 25.00 H new ATOM 685 N ALA A 46 27.187 27.695 5.358 1.00 25.00 N ATOM 686 CA ALA A 46 26.987 29.030 5.885 1.00 25.00 C ATOM 687 C ALA A 46 28.251 29.618 6.505 1.00 25.00 C ATOM 688 O ALA A 46 28.592 30.737 6.193 1.00 25.00 O ATOM 689 CB ALA A 46 25.892 29.025 6.888 1.00 25.00 C ATOM 0 H ALA A 46 26.611 26.971 5.787 1.00 25.00 H new ATOM 0 HA ALA A 46 26.718 29.664 5.040 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.751 30.033 7.277 1.00 25.00 H new ATOM 0 HB2 ALA A 46 24.969 28.685 6.418 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.151 28.353 7.706 1.00 25.00 H new ATOM 695 N GLU A 47 28.938 28.889 7.379 1.00 25.00 N ATOM 696 CA GLU A 47 30.134 29.437 8.046 1.00 25.00 C ATOM 697 C GLU A 47 31.210 29.799 7.021 1.00 25.00 C ATOM 698 O GLU A 47 31.958 30.766 7.189 1.00 25.00 O ATOM 699 CB GLU A 47 30.699 28.469 9.099 1.00 25.00 C ATOM 700 CG GLU A 47 31.205 27.145 8.547 1.00 25.00 C ATOM 701 CD GLU A 47 31.958 26.341 9.583 1.00 25.00 C ATOM 702 OE1 GLU A 47 33.191 26.544 9.698 1.00 25.00 O ATOM 703 OE2 GLU A 47 31.337 25.504 10.272 1.00 25.00 O ATOM 0 H GLU A 47 28.700 27.933 7.645 1.00 25.00 H new ATOM 0 HA GLU A 47 29.825 30.344 8.565 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.517 28.963 9.624 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.923 28.265 9.837 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.361 26.561 8.180 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.856 27.335 7.694 1.00 25.00 H new ATOM 710 N ALA A 48 31.239 29.047 5.934 1.00 25.00 N ATOM 711 CA ALA A 48 32.133 29.292 4.838 1.00 25.00 C ATOM 712 C ALA A 48 31.839 30.641 4.189 1.00 25.00 C ATOM 713 O ALA A 48 32.750 31.403 3.881 1.00 25.00 O ATOM 714 CB ALA A 48 32.003 28.149 3.833 1.00 25.00 C ATOM 0 H ALA A 48 30.630 28.240 5.795 1.00 25.00 H new ATOM 0 HA ALA A 48 33.159 29.332 5.202 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.678 28.323 2.995 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.262 27.207 4.317 1.00 25.00 H new ATOM 0 HB3 ALA A 48 30.977 28.100 3.469 1.00 25.00 H new ATOM 720 N LEU A 49 30.560 30.951 4.044 1.00 25.00 N ATOM 721 CA LEU A 49 30.133 32.231 3.495 1.00 25.00 C ATOM 722 C LEU A 49 30.507 33.371 4.439 1.00 25.00 C ATOM 723 O LEU A 49 30.969 34.419 4.004 1.00 25.00 O ATOM 724 CB LEU A 49 28.612 32.226 3.309 1.00 25.00 C ATOM 725 CG LEU A 49 28.052 33.452 2.586 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.176 33.252 1.093 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.604 33.681 2.987 1.00 25.00 C ATOM 0 H LEU A 49 29.793 30.329 4.301 1.00 25.00 H new ATOM 0 HA LEU A 49 30.631 32.379 2.537 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.331 31.333 2.751 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.140 32.152 4.289 1.00 25.00 H new ATOM 0 HG LEU A 49 28.622 34.337 2.870 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.778 34.124 0.575 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.226 33.121 0.829 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.614 32.366 0.797 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.216 34.556 2.466 1.00 25.00 H new ATOM 0 HD22 LEU A 49 26.010 32.807 2.720 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.546 33.844 4.063 1.00 25.00 H new ATOM 739 N LEU A 50 30.292 33.159 5.734 1.00 25.00 N ATOM 740 CA LEU A 50 30.500 34.216 6.735 1.00 25.00 C ATOM 741 C LEU A 50 31.955 34.644 6.798 1.00 25.00 C ATOM 742 O LEU A 50 32.268 35.763 7.180 1.00 25.00 O ATOM 743 CB LEU A 50 30.100 33.747 8.146 1.00 25.00 C ATOM 744 CG LEU A 50 28.746 33.060 8.371 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.472 32.927 9.854 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.580 33.734 7.657 1.00 25.00 C ATOM 0 H LEU A 50 29.975 32.270 6.120 1.00 25.00 H new ATOM 0 HA LEU A 50 29.872 35.051 6.423 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.873 33.060 8.491 1.00 25.00 H new ATOM 0 HB3 LEU A 50 30.134 34.619 8.799 1.00 25.00 H new ATOM 0 HG LEU A 50 28.825 32.070 7.921 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.509 32.438 10.004 1.00 25.00 H new ATOM 0 HD12 LEU A 50 29.258 32.330 10.317 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.452 33.917 10.310 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.660 33.188 7.867 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.481 34.760 8.010 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.764 33.736 6.583 1.00 25.00 H new ATOM 758 N SER A 51 32.841 33.724 6.453 1.00 25.00 N ATOM 759 CA SER A 51 34.263 33.965 6.514 1.00 25.00 C ATOM 760 C SER A 51 34.768 34.830 5.360 1.00 25.00 C ATOM 761 O SER A 51 35.839 35.410 5.442 1.00 25.00 O ATOM 762 CB SER A 51 34.964 32.628 6.463 1.00 25.00 C ATOM 763 OG SER A 51 34.525 31.775 7.515 1.00 25.00 O ATOM 0 H SER A 51 32.589 32.792 6.124 1.00 25.00 H new ATOM 0 HA SER A 51 34.475 34.505 7.437 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.774 32.151 5.501 1.00 25.00 H new ATOM 0 HB3 SER A 51 36.041 32.776 6.537 1.00 25.00 H new ATOM 0 HG SER A 51 33.615 31.465 7.326 1.00 25.00 H new ATOM 769 N GLY A 52 34.026 34.858 4.257 1.00 25.00 N ATOM 770 CA GLY A 52 34.455 35.589 3.068 1.00 25.00 C ATOM 771 C GLY A 52 35.364 34.762 2.172 1.00 25.00 C ATOM 772 O GLY A 52 35.424 34.973 0.960 1.00 25.00 O ATOM 0 H GLY A 52 33.128 34.385 4.161 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.578 35.901 2.501 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.977 36.496 3.372 1.00 25.00 H new ATOM 776 N ASP A 53 36.046 33.800 2.779 1.00 25.00 N ATOM 777 CA ASP A 53 36.936 32.867 2.113 1.00 25.00 C ATOM 778 C ASP A 53 36.230 32.076 1.013 1.00 25.00 C ATOM 779 O ASP A 53 35.518 31.108 1.280 1.00 25.00 O ATOM 780 CB ASP A 53 37.455 31.911 3.158 1.00 25.00 C ATOM 781 CG ASP A 53 38.464 32.536 4.085 1.00 25.00 C ATOM 782 OD1 ASP A 53 39.392 33.214 3.609 1.00 25.00 O ATOM 783 OD2 ASP A 53 38.342 32.296 5.307 1.00 25.00 O ATOM 0 H ASP A 53 35.990 33.645 3.786 1.00 25.00 H new ATOM 0 HA ASP A 53 37.741 33.427 1.638 1.00 25.00 H new ATOM 0 HB2 ASP A 53 36.617 31.534 3.744 1.00 25.00 H new ATOM 0 HB3 ASP A 53 37.909 31.053 2.663 1.00 25.00 H new ATOM 788 N LEU A 54 36.451 32.464 -0.235 1.00 25.00 N ATOM 789 CA LEU A 54 35.863 31.743 -1.360 1.00 25.00 C ATOM 790 C LEU A 54 36.405 30.328 -1.367 1.00 25.00 C ATOM 791 O LEU A 54 35.701 29.393 -1.691 1.00 25.00 O ATOM 792 CB LEU A 54 36.190 32.438 -2.687 1.00 25.00 C ATOM 793 CG LEU A 54 35.544 31.888 -3.983 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.326 30.735 -4.620 1.00 25.00 C ATOM 795 CD2 LEU A 54 34.074 31.478 -3.796 1.00 25.00 C ATOM 0 H LEU A 54 37.027 33.265 -0.495 1.00 25.00 H new ATOM 0 HA LEU A 54 34.779 31.728 -1.249 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.905 33.486 -2.592 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.272 32.412 -2.818 1.00 25.00 H new ATOM 0 HG LEU A 54 35.580 32.732 -4.672 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.813 30.402 -5.523 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.330 31.074 -4.877 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.392 29.907 -3.914 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.679 31.101 -4.739 1.00 25.00 H new ATOM 0 HD22 LEU A 54 34.007 30.698 -3.037 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.492 32.344 -3.479 1.00 25.00 H new ATOM 807 N GLU A 55 37.653 30.174 -0.960 1.00 25.00 N ATOM 808 CA GLU A 55 38.286 28.855 -0.910 1.00 25.00 C ATOM 809 C GLU A 55 37.462 27.875 -0.091 1.00 25.00 C ATOM 810 O GLU A 55 37.140 26.779 -0.549 1.00 25.00 O ATOM 811 CB GLU A 55 39.681 28.955 -0.294 1.00 25.00 C ATOM 812 CG GLU A 55 40.490 30.084 -0.858 1.00 25.00 C ATOM 813 CD GLU A 55 41.987 29.847 -0.718 1.00 25.00 C ATOM 814 OE1 GLU A 55 42.739 30.223 -1.640 1.00 25.00 O ATOM 815 OE2 GLU A 55 42.406 29.265 0.305 1.00 25.00 O ATOM 0 H GLU A 55 38.253 30.942 -0.658 1.00 25.00 H new ATOM 0 HA GLU A 55 38.356 28.492 -1.935 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.588 29.085 0.784 1.00 25.00 H new ATOM 0 HB3 GLU A 55 40.212 28.017 -0.457 1.00 25.00 H new ATOM 0 HG2 GLU A 55 40.242 30.215 -1.911 1.00 25.00 H new ATOM 0 HG3 GLU A 55 40.222 31.010 -0.349 1.00 25.00 H new ATOM 822 N LYS A 56 37.091 28.277 1.116 1.00 25.00 N ATOM 823 CA LYS A 56 36.296 27.399 1.969 1.00 25.00 C ATOM 824 C LYS A 56 34.874 27.324 1.459 1.00 25.00 C ATOM 825 O LYS A 56 34.283 26.263 1.483 1.00 25.00 O ATOM 826 CB LYS A 56 36.378 27.784 3.461 1.00 25.00 C ATOM 827 CG LYS A 56 35.690 28.994 3.910 1.00 25.00 C ATOM 828 CD LYS A 56 36.201 29.410 5.314 1.00 25.00 C ATOM 829 CE LYS A 56 35.532 28.662 6.472 1.00 25.00 C ATOM 830 NZ LYS A 56 35.981 29.214 7.795 1.00 25.00 N ATOM 0 H LYS A 56 37.320 29.184 1.522 1.00 25.00 H new ATOM 0 HA LYS A 56 36.724 26.398 1.912 1.00 25.00 H new ATOM 0 HB2 LYS A 56 35.989 26.947 4.041 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.432 27.887 3.719 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.859 29.803 3.199 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.615 28.819 3.943 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.277 29.242 5.361 1.00 25.00 H new ATOM 0 HD3 LYS A 56 36.039 30.480 5.445 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.449 28.746 6.387 1.00 25.00 H new ATOM 0 HE3 LYS A 56 35.775 27.601 6.414 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.653 28.591 8.560 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 37.019 29.269 7.814 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.582 30.165 7.928 1.00 25.00 H new ATOM 844 N PHE A 57 34.341 28.414 0.930 1.00 25.00 N ATOM 845 CA PHE A 57 32.989 28.377 0.373 1.00 25.00 C ATOM 846 C PHE A 57 32.890 27.363 -0.762 1.00 25.00 C ATOM 847 O PHE A 57 32.031 26.504 -0.735 1.00 25.00 O ATOM 848 CB PHE A 57 32.536 29.758 -0.096 1.00 25.00 C ATOM 849 CG PHE A 57 31.108 29.784 -0.562 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.055 29.853 0.370 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.803 29.713 -1.932 1.00 25.00 C ATOM 852 CE1 PHE A 57 28.707 29.851 -0.062 1.00 25.00 C ATOM 853 CE2 PHE A 57 29.458 29.711 -2.373 1.00 25.00 C ATOM 854 CZ PHE A 57 28.413 29.777 -1.438 1.00 25.00 C ATOM 0 H PHE A 57 34.808 29.319 0.872 1.00 25.00 H new ATOM 0 HA PHE A 57 32.318 28.061 1.172 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.659 30.470 0.720 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.183 30.089 -0.908 1.00 25.00 H new ATOM 0 HD1 PHE A 57 30.278 29.908 1.425 1.00 25.00 H new ATOM 0 HD2 PHE A 57 31.603 29.659 -2.656 1.00 25.00 H new ATOM 0 HE1 PHE A 57 27.906 29.906 0.661 1.00 25.00 H new ATOM 0 HE2 PHE A 57 29.236 29.659 -3.429 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.386 29.771 -1.773 1.00 25.00 H new ATOM 864 N SER A 58 33.796 27.429 -1.725 1.00 25.00 N ATOM 865 CA SER A 58 33.827 26.494 -2.843 1.00 25.00 C ATOM 866 C SER A 58 34.121 25.066 -2.413 1.00 25.00 C ATOM 867 O SER A 58 33.507 24.122 -2.911 1.00 25.00 O ATOM 868 CB SER A 58 34.897 26.938 -3.842 1.00 25.00 C ATOM 869 OG SER A 58 34.943 26.073 -4.961 1.00 25.00 O ATOM 0 H SER A 58 34.533 28.133 -1.755 1.00 25.00 H new ATOM 0 HA SER A 58 32.835 26.503 -3.295 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.689 27.955 -4.174 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.871 26.955 -3.352 1.00 25.00 H new ATOM 0 HG SER A 58 35.634 26.381 -5.584 1.00 25.00 H new ATOM 875 N ARG A 59 35.031 24.896 -1.462 1.00 25.00 N ATOM 876 CA ARG A 59 35.345 23.559 -0.962 1.00 25.00 C ATOM 877 C ARG A 59 34.091 22.942 -0.377 1.00 25.00 C ATOM 878 O ARG A 59 33.730 21.823 -0.707 1.00 25.00 O ATOM 879 CB ARG A 59 36.425 23.624 0.118 1.00 25.00 C ATOM 880 CG ARG A 59 36.726 22.259 0.766 1.00 25.00 C ATOM 881 CD ARG A 59 37.238 22.413 2.179 1.00 25.00 C ATOM 882 NE ARG A 59 36.955 21.204 2.964 1.00 25.00 N ATOM 883 CZ ARG A 59 37.287 21.000 4.229 1.00 25.00 C ATOM 884 NH1 ARG A 59 37.961 21.878 4.933 1.00 25.00 N ATOM 885 NH2 ARG A 59 36.922 19.886 4.790 1.00 25.00 N ATOM 0 H ARG A 59 35.558 25.652 -1.026 1.00 25.00 H new ATOM 0 HA ARG A 59 35.715 22.953 -1.789 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.342 24.020 -0.319 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.112 24.324 0.892 1.00 25.00 H new ATOM 0 HG2 ARG A 59 35.821 21.651 0.771 1.00 25.00 H new ATOM 0 HG3 ARG A 59 37.465 21.727 0.167 1.00 25.00 H new ATOM 0 HD2 ARG A 59 38.312 22.601 2.164 1.00 25.00 H new ATOM 0 HD3 ARG A 59 36.769 23.277 2.650 1.00 25.00 H new ATOM 0 HE ARG A 59 36.456 20.451 2.490 1.00 25.00 H new ATOM 0 HH11 ARG A 59 38.250 22.759 4.508 1.00 25.00 H new ATOM 0 HH12 ARG A 59 38.196 21.680 5.906 1.00 25.00 H new ATOM 0 HH21 ARG A 59 36.393 19.196 4.257 1.00 25.00 H new ATOM 0 HH22 ARG A 59 37.164 19.702 5.764 1.00 25.00 H new ATOM 899 N VAL A 60 33.418 23.676 0.488 1.00 25.00 N ATOM 900 CA VAL A 60 32.238 23.144 1.143 1.00 25.00 C ATOM 901 C VAL A 60 31.141 22.970 0.105 1.00 25.00 C ATOM 902 O VAL A 60 30.374 22.027 0.176 1.00 25.00 O ATOM 903 CB VAL A 60 31.787 24.025 2.332 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.546 23.433 2.987 1.00 25.00 C ATOM 905 CG2 VAL A 60 32.912 24.106 3.385 1.00 25.00 C ATOM 0 H VAL A 60 33.663 24.630 0.751 1.00 25.00 H new ATOM 0 HA VAL A 60 32.474 22.172 1.576 1.00 25.00 H new ATOM 0 HB VAL A 60 31.561 25.022 1.954 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.240 24.063 3.822 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.739 23.381 2.256 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.770 22.431 3.352 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.586 24.728 4.219 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.143 23.105 3.748 1.00 25.00 H new ATOM 0 HG23 VAL A 60 33.803 24.543 2.933 1.00 25.00 H new ATOM 915 N LEU A 61 31.084 23.850 -0.882 1.00 25.00 N ATOM 916 CA LEU A 61 30.089 23.737 -1.945 1.00 25.00 C ATOM 917 C LEU A 61 30.184 22.388 -2.657 1.00 25.00 C ATOM 918 O LEU A 61 29.173 21.719 -2.844 1.00 25.00 O ATOM 919 CB LEU A 61 30.274 24.865 -2.968 1.00 25.00 C ATOM 920 CG LEU A 61 29.045 25.139 -3.839 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.228 26.231 -3.196 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.416 25.583 -5.237 1.00 25.00 C ATOM 0 H LEU A 61 31.711 24.649 -0.972 1.00 25.00 H new ATOM 0 HA LEU A 61 29.105 23.817 -1.484 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.539 25.780 -2.438 1.00 25.00 H new ATOM 0 HB3 LEU A 61 31.115 24.617 -3.616 1.00 25.00 H new ATOM 0 HG LEU A 61 28.483 24.208 -3.918 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.349 26.436 -3.807 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.913 25.912 -2.202 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.831 27.135 -3.113 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.509 25.764 -5.814 1.00 25.00 H new ATOM 0 HD22 LEU A 61 30.002 26.501 -5.184 1.00 25.00 H new ATOM 0 HD23 LEU A 61 30.005 24.804 -5.722 1.00 25.00 H new ATOM 934 N VAL A 62 31.385 21.970 -3.038 1.00 25.00 N ATOM 935 CA VAL A 62 31.541 20.691 -3.739 1.00 25.00 C ATOM 936 C VAL A 62 31.404 19.509 -2.775 1.00 25.00 C ATOM 937 O VAL A 62 30.826 18.482 -3.123 1.00 25.00 O ATOM 938 CB VAL A 62 32.875 20.629 -4.562 1.00 25.00 C ATOM 939 CG1 VAL A 62 34.126 20.651 -3.677 1.00 25.00 C ATOM 940 CG2 VAL A 62 32.889 19.389 -5.448 1.00 25.00 C ATOM 0 H VAL A 62 32.253 22.483 -2.880 1.00 25.00 H new ATOM 0 HA VAL A 62 30.729 20.616 -4.462 1.00 25.00 H new ATOM 0 HB VAL A 62 32.904 21.528 -5.178 1.00 25.00 H new ATOM 0 HG11 VAL A 62 35.016 20.606 -4.304 1.00 25.00 H new ATOM 0 HG12 VAL A 62 34.141 21.570 -3.091 1.00 25.00 H new ATOM 0 HG13 VAL A 62 34.112 19.793 -3.005 1.00 25.00 H new ATOM 0 HG21 VAL A 62 33.820 19.357 -6.014 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.811 18.497 -4.827 1.00 25.00 H new ATOM 0 HG23 VAL A 62 32.046 19.425 -6.138 1.00 25.00 H new ATOM 950 N GLU A 63 31.864 19.668 -1.545 1.00 25.00 N ATOM 951 CA GLU A 63 31.694 18.628 -0.519 1.00 25.00 C ATOM 952 C GLU A 63 30.201 18.386 -0.289 1.00 25.00 C ATOM 953 O GLU A 63 29.745 17.244 -0.201 1.00 25.00 O ATOM 954 CB GLU A 63 32.348 19.045 0.804 1.00 25.00 C ATOM 955 CG GLU A 63 33.876 18.942 0.816 1.00 25.00 C ATOM 956 CD GLU A 63 34.472 19.352 2.149 1.00 25.00 C ATOM 957 OE1 GLU A 63 35.486 18.746 2.561 1.00 25.00 O ATOM 958 OE2 GLU A 63 33.999 20.336 2.750 1.00 25.00 O ATOM 0 H GLU A 63 32.358 20.501 -1.224 1.00 25.00 H new ATOM 0 HA GLU A 63 32.176 17.716 -0.870 1.00 25.00 H new ATOM 0 HB2 GLU A 63 32.064 20.073 1.027 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.948 18.423 1.605 1.00 25.00 H new ATOM 0 HG2 GLU A 63 34.170 17.917 0.589 1.00 25.00 H new ATOM 0 HG3 GLU A 63 34.286 19.573 0.028 1.00 25.00 H new