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= 1.58 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -173:sc= 0.647 (180deg=0) USER MOD Single : A 27 MET CE :methyl -140:sc= 0 (180deg=-0.109) USER MOD Single : A 31 ASN : amide:sc= -1.64! C(o=-1.6!,f=-6.5!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0418 K(o=-0.042,f=-3.8!) USER MOD Single : A 58 SER OG : rot 180:sc=-0.00331 USER MOD ----------------------------------------------------------------- ATOM 272 N PRO A 21 30.453 28.835 -7.529 1.00 25.00 N ATOM 273 CA PRO A 21 30.489 29.217 -6.112 1.00 25.00 C ATOM 274 C PRO A 21 30.799 30.694 -5.923 1.00 25.00 C ATOM 275 O PRO A 21 30.331 31.305 -4.981 1.00 25.00 O ATOM 276 CB PRO A 21 31.630 28.358 -5.550 1.00 25.00 C ATOM 277 CG PRO A 21 32.454 28.030 -6.721 1.00 25.00 C ATOM 278 CD PRO A 21 31.500 27.846 -7.835 1.00 25.00 C ATOM 0 HA PRO A 21 29.530 29.060 -5.618 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.204 28.902 -4.800 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.249 27.458 -5.068 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.162 28.829 -6.939 1.00 25.00 H new ATOM 0 HG3 PRO A 21 33.037 27.125 -6.550 1.00 25.00 H new ATOM 0 HD2 PRO A 21 31.965 28.035 -8.802 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.103 26.831 -7.865 1.00 25.00 H new ATOM 286 N ALA A 22 31.575 31.275 -6.829 1.00 25.00 N ATOM 287 CA ALA A 22 31.941 32.682 -6.728 1.00 25.00 C ATOM 288 C ALA A 22 30.713 33.590 -6.811 1.00 25.00 C ATOM 289 O ALA A 22 30.606 34.560 -6.061 1.00 25.00 O ATOM 290 CB ALA A 22 32.944 33.035 -7.831 1.00 25.00 C ATOM 0 H ALA A 22 31.963 30.795 -7.641 1.00 25.00 H new ATOM 0 HA ALA A 22 32.402 32.845 -5.754 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.216 34.088 -7.753 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.838 32.421 -7.720 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.494 32.848 -8.806 1.00 25.00 H new ATOM 296 N LEU A 23 29.798 33.268 -7.717 1.00 25.00 N ATOM 297 CA LEU A 23 28.601 34.082 -7.912 1.00 25.00 C ATOM 298 C LEU A 23 27.590 33.803 -6.813 1.00 25.00 C ATOM 299 O LEU A 23 26.920 34.708 -6.336 1.00 25.00 O ATOM 300 CB LEU A 23 27.951 33.789 -9.276 1.00 25.00 C ATOM 301 CG LEU A 23 28.809 33.965 -10.545 1.00 25.00 C ATOM 302 CD1 LEU A 23 27.935 33.690 -11.770 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.438 35.334 -10.677 1.00 25.00 C ATOM 0 H LEU A 23 29.860 32.453 -8.327 1.00 25.00 H new ATOM 0 HA LEU A 23 28.903 35.129 -7.879 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.590 32.761 -9.259 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.077 34.433 -9.373 1.00 25.00 H new ATOM 0 HG LEU A 23 29.634 33.257 -10.470 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.529 33.811 -12.676 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.551 32.671 -11.722 1.00 25.00 H new ATOM 0 HD13 LEU A 23 27.101 34.392 -11.787 1.00 25.00 H new ATOM 0 HD21 LEU A 23 30.025 35.378 -11.594 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.656 36.092 -10.710 1.00 25.00 H new ATOM 0 HD23 LEU A 23 30.087 35.520 -9.822 1.00 25.00 H new ATOM 315 N LEU A 24 27.483 32.548 -6.396 1.00 25.00 N ATOM 316 CA LEU A 24 26.535 32.197 -5.342 1.00 25.00 C ATOM 317 C LEU A 24 26.959 32.830 -4.022 1.00 25.00 C ATOM 318 O LEU A 24 26.135 33.387 -3.312 1.00 25.00 O ATOM 319 CB LEU A 24 26.419 30.678 -5.200 1.00 25.00 C ATOM 320 CG LEU A 24 25.393 30.186 -4.163 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.022 30.845 -4.331 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.243 28.682 -4.264 1.00 25.00 C ATOM 0 H LEU A 24 28.029 31.768 -6.762 1.00 25.00 H new ATOM 0 HA LEU A 24 25.554 32.585 -5.615 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.157 30.259 -6.171 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.398 30.280 -4.934 1.00 25.00 H new ATOM 0 HG LEU A 24 25.773 30.466 -3.180 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.338 30.461 -3.574 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.121 31.924 -4.217 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.629 30.620 -5.322 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.516 28.339 -3.528 1.00 25.00 H new ATOM 0 HD22 LEU A 24 24.900 28.417 -5.264 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.205 28.207 -4.073 1.00 25.00 H new ATOM 334 N ARG A 25 28.254 32.810 -3.738 1.00 25.00 N ATOM 335 CA ARG A 25 28.808 33.481 -2.563 1.00 25.00 C ATOM 336 C ARG A 25 28.392 34.945 -2.565 1.00 25.00 C ATOM 337 O ARG A 25 27.971 35.471 -1.549 1.00 25.00 O ATOM 338 CB ARG A 25 30.344 33.339 -2.594 1.00 25.00 C ATOM 339 CG ARG A 25 31.131 34.066 -1.500 1.00 25.00 C ATOM 340 CD ARG A 25 31.538 35.484 -1.913 1.00 25.00 C ATOM 341 NE ARG A 25 32.387 35.524 -3.116 1.00 25.00 N ATOM 342 CZ ARG A 25 33.708 35.650 -3.123 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.421 35.731 -2.024 1.00 25.00 N ATOM 344 NH2 ARG A 25 34.324 35.697 -4.270 1.00 25.00 N ATOM 0 H ARG A 25 28.950 32.332 -4.310 1.00 25.00 H new ATOM 0 HA ARG A 25 28.428 33.026 -1.649 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.587 32.278 -2.538 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.698 33.697 -3.561 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.527 34.114 -0.594 1.00 25.00 H new ATOM 0 HG3 ARG A 25 32.025 33.491 -1.257 1.00 25.00 H new ATOM 0 HD2 ARG A 25 30.639 36.074 -2.092 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.070 35.956 -1.087 1.00 25.00 H new ATOM 0 HE ARG A 25 31.920 35.448 -4.020 1.00 25.00 H new ATOM 0 HH11 ARG A 25 33.961 35.698 -1.114 1.00 25.00 H new ATOM 0 HH12 ARG A 25 35.435 35.827 -2.080 1.00 25.00 H new ATOM 0 HH21 ARG A 25 33.791 35.637 -5.138 1.00 25.00 H new ATOM 0 HH22 ARG A 25 35.339 35.794 -4.300 1.00 25.00 H new ATOM 358 N ASP A 26 28.508 35.596 -3.710 1.00 25.00 N ATOM 359 CA ASP A 26 28.185 37.020 -3.812 1.00 25.00 C ATOM 360 C ASP A 26 26.688 37.279 -3.611 1.00 25.00 C ATOM 361 O ASP A 26 26.295 38.185 -2.882 1.00 25.00 O ATOM 362 CB ASP A 26 28.634 37.547 -5.173 1.00 25.00 C ATOM 363 CG ASP A 26 28.752 39.055 -5.200 1.00 25.00 C ATOM 364 OD1 ASP A 26 29.322 39.619 -4.243 1.00 25.00 O ATOM 365 OD2 ASP A 26 28.351 39.667 -6.210 1.00 25.00 O ATOM 0 H ASP A 26 28.821 35.169 -4.582 1.00 25.00 H new ATOM 0 HA ASP A 26 28.716 37.547 -3.019 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.597 37.106 -5.430 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.923 37.228 -5.935 1.00 25.00 H new ATOM 370 N MET A 27 25.855 36.438 -4.214 1.00 25.00 N ATOM 371 CA MET A 27 24.397 36.557 -4.080 1.00 25.00 C ATOM 372 C MET A 27 23.991 36.422 -2.631 1.00 25.00 C ATOM 373 O MET A 27 23.233 37.220 -2.104 1.00 25.00 O ATOM 374 CB MET A 27 23.708 35.452 -4.887 1.00 25.00 C ATOM 375 CG MET A 27 22.194 35.608 -5.021 1.00 25.00 C ATOM 376 SD MET A 27 21.201 35.152 -3.560 1.00 25.00 S ATOM 377 CE MET A 27 21.283 33.348 -3.580 1.00 25.00 C ATOM 0 H MET A 27 26.160 35.663 -4.803 1.00 25.00 H new ATOM 0 HA MET A 27 24.096 37.536 -4.454 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.146 35.423 -5.885 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.920 34.492 -4.417 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.978 36.647 -5.271 1.00 25.00 H new ATOM 0 HG3 MET A 27 21.861 35.002 -5.864 1.00 25.00 H new ATOM 0 HE1 MET A 27 20.310 32.937 -3.312 1.00 25.00 H new ATOM 0 HE2 MET A 27 21.559 33.007 -4.578 1.00 25.00 H new ATOM 0 HE3 MET A 27 22.030 33.010 -2.862 1.00 25.00 H new ATOM 387 N LEU A 28 24.509 35.387 -1.998 1.00 25.00 N ATOM 388 CA LEU A 28 24.186 35.083 -0.612 1.00 25.00 C ATOM 389 C LEU A 28 24.588 36.205 0.326 1.00 25.00 C ATOM 390 O LEU A 28 23.841 36.561 1.222 1.00 25.00 O ATOM 391 CB LEU A 28 24.890 33.819 -0.196 1.00 25.00 C ATOM 392 CG LEU A 28 24.281 32.542 -0.771 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.248 31.447 -0.523 1.00 25.00 C ATOM 394 CD2 LEU A 28 22.936 32.229 -0.145 1.00 25.00 C ATOM 0 H LEU A 28 25.164 34.733 -2.426 1.00 25.00 H new ATOM 0 HA LEU A 28 23.105 34.960 -0.547 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.934 33.880 -0.504 1.00 25.00 H new ATOM 0 HB3 LEU A 28 24.882 33.754 0.892 1.00 25.00 H new ATOM 0 HG LEU A 28 24.098 32.664 -1.839 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.850 30.513 -0.920 1.00 25.00 H new ATOM 0 HD12 LEU A 28 26.193 31.677 -1.016 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.414 31.344 0.549 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.536 31.313 -0.581 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.057 32.096 0.930 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.247 33.052 -0.334 1.00 25.00 H new ATOM 406 N LEU A 29 25.762 36.777 0.111 1.00 25.00 N ATOM 407 CA LEU A 29 26.229 37.886 0.954 1.00 25.00 C ATOM 408 C LEU A 29 25.313 39.090 0.801 1.00 25.00 C ATOM 409 O LEU A 29 25.041 39.808 1.761 1.00 25.00 O ATOM 410 CB LEU A 29 27.651 38.295 0.568 1.00 25.00 C ATOM 411 CG LEU A 29 28.772 37.348 1.017 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.046 37.713 0.283 1.00 25.00 C ATOM 413 CD2 LEU A 29 29.004 37.399 2.527 1.00 25.00 C ATOM 0 H LEU A 29 26.408 36.502 -0.629 1.00 25.00 H new ATOM 0 HA LEU A 29 26.218 37.546 1.990 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.698 38.392 -0.517 1.00 25.00 H new ATOM 0 HB3 LEU A 29 27.849 39.283 0.985 1.00 25.00 H new ATOM 0 HG LEU A 29 28.472 36.328 0.776 1.00 25.00 H new ATOM 0 HD11 LEU A 29 30.850 37.046 0.595 1.00 25.00 H new ATOM 0 HD12 LEU A 29 29.888 37.614 -0.791 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.318 38.742 0.516 1.00 25.00 H new ATOM 0 HD21 LEU A 29 29.806 36.712 2.795 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.281 38.412 2.819 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.090 37.110 3.046 1.00 25.00 H new ATOM 425 N ALA A 30 24.828 39.293 -0.413 1.00 25.00 N ATOM 426 CA ALA A 30 23.933 40.402 -0.713 1.00 25.00 C ATOM 427 C ALA A 30 22.489 40.112 -0.276 1.00 25.00 C ATOM 428 O ALA A 30 21.638 41.004 -0.314 1.00 25.00 O ATOM 429 CB ALA A 30 23.979 40.699 -2.221 1.00 25.00 C ATOM 0 H ALA A 30 25.041 38.699 -1.214 1.00 25.00 H new ATOM 0 HA ALA A 30 24.272 41.271 -0.150 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.310 41.529 -2.449 1.00 25.00 H new ATOM 0 HB2 ALA A 30 24.996 40.964 -2.509 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.663 39.815 -2.776 1.00 25.00 H new ATOM 435 N ASN A 31 22.198 38.873 0.102 1.00 25.00 N ATOM 436 CA ASN A 31 20.831 38.476 0.431 1.00 25.00 C ATOM 437 C ASN A 31 20.684 38.069 1.901 1.00 25.00 C ATOM 438 O ASN A 31 20.932 36.918 2.268 1.00 25.00 O ATOM 439 CB ASN A 31 20.413 37.326 -0.477 1.00 25.00 C ATOM 440 CG ASN A 31 18.929 37.122 -0.495 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.244 37.286 0.515 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.416 36.761 -1.637 1.00 25.00 N ATOM 0 H ASN A 31 22.887 38.126 0.189 1.00 25.00 H new ATOM 0 HA ASN A 31 20.181 39.337 0.272 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.762 37.522 -1.491 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.899 36.409 -0.144 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.411 36.603 -1.718 1.00 25.00 H new ATOM 0 HD22 ASN A 31 19.019 36.636 -2.450 1.00 25.00 H new ATOM 449 N PRO A 32 20.240 39.000 2.763 1.00 25.00 N ATOM 450 CA PRO A 32 20.166 38.666 4.191 1.00 25.00 C ATOM 451 C PRO A 32 19.174 37.556 4.551 1.00 25.00 C ATOM 452 O PRO A 32 19.344 36.876 5.559 1.00 25.00 O ATOM 453 CB PRO A 32 19.771 40.001 4.832 1.00 25.00 C ATOM 454 CG PRO A 32 19.051 40.727 3.752 1.00 25.00 C ATOM 455 CD PRO A 32 19.824 40.395 2.520 1.00 25.00 C ATOM 0 HA PRO A 32 21.111 38.253 4.544 1.00 25.00 H new ATOM 0 HB2 PRO A 32 19.134 39.851 5.704 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.647 40.555 5.169 1.00 25.00 H new ATOM 0 HG2 PRO A 32 18.014 40.400 3.673 1.00 25.00 H new ATOM 0 HG3 PRO A 32 19.034 41.801 3.935 1.00 25.00 H new ATOM 0 HD2 PRO A 32 19.213 40.484 1.622 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.681 41.056 2.389 1.00 25.00 H new ATOM 463 N HIS A 33 18.149 37.356 3.737 1.00 25.00 N ATOM 464 CA HIS A 33 17.177 36.294 3.996 1.00 25.00 C ATOM 465 C HIS A 33 17.756 34.934 3.629 1.00 25.00 C ATOM 466 O HIS A 33 17.580 33.948 4.342 1.00 25.00 O ATOM 467 CB HIS A 33 15.913 36.539 3.169 1.00 25.00 C ATOM 468 CG HIS A 33 14.865 35.486 3.351 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.987 35.438 4.404 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.559 34.399 2.588 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.209 34.370 4.249 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.509 33.702 3.154 1.00 25.00 N ATOM 0 H HIS A 33 17.966 37.907 2.898 1.00 25.00 H new ATOM 0 HA HIS A 33 16.935 36.302 5.059 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.494 37.508 3.440 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.183 36.592 2.114 1.00 25.00 H new ATOM 0 HD2 HIS A 33 15.064 34.123 1.674 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.427 34.085 4.937 1.00 25.00 H new ATOM 0 HE2 HIS A 33 13.063 32.855 2.801 1.00 25.00 H new ATOM 480 N GLU A 34 18.441 34.887 2.500 1.00 25.00 N ATOM 481 CA GLU A 34 18.965 33.633 1.978 1.00 25.00 C ATOM 482 C GLU A 34 20.122 33.188 2.847 1.00 25.00 C ATOM 483 O GLU A 34 20.235 32.033 3.213 1.00 25.00 O ATOM 484 CB GLU A 34 19.429 33.819 0.539 1.00 25.00 C ATOM 485 CG GLU A 34 18.516 33.195 -0.507 1.00 25.00 C ATOM 486 CD GLU A 34 18.479 31.674 -0.430 1.00 25.00 C ATOM 487 OE1 GLU A 34 19.541 31.046 -0.244 1.00 25.00 O ATOM 488 OE2 GLU A 34 17.375 31.107 -0.568 1.00 25.00 O ATOM 0 H GLU A 34 18.649 35.703 1.925 1.00 25.00 H new ATOM 0 HA GLU A 34 18.184 32.873 1.991 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.518 34.886 0.335 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.426 33.391 0.434 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.506 33.585 -0.380 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.851 33.495 -1.500 1.00 25.00 H new ATOM 495 N LEU A 35 20.952 34.133 3.245 1.00 25.00 N ATOM 496 CA LEU A 35 22.079 33.824 4.109 1.00 25.00 C ATOM 497 C LEU A 35 21.596 33.316 5.475 1.00 25.00 C ATOM 498 O LEU A 35 22.261 32.501 6.108 1.00 25.00 O ATOM 499 CB LEU A 35 23.000 35.029 4.182 1.00 25.00 C ATOM 500 CG LEU A 35 22.849 36.170 5.188 1.00 25.00 C ATOM 501 CD1 LEU A 35 23.111 35.798 6.637 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.847 37.203 4.730 1.00 25.00 C ATOM 0 H LEU A 35 20.870 35.116 2.987 1.00 25.00 H new ATOM 0 HA LEU A 35 22.665 33.005 3.693 1.00 25.00 H new ATOM 0 HB2 LEU A 35 24.006 34.633 4.322 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.974 35.490 3.195 1.00 25.00 H new ATOM 0 HG LEU A 35 21.813 36.510 5.197 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.978 36.677 7.268 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.412 35.020 6.945 1.00 25.00 H new ATOM 0 HD13 LEU A 35 24.132 35.430 6.739 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.810 38.065 5.396 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.849 36.774 4.747 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.604 37.518 3.715 1.00 25.00 H new ATOM 514 N SER A 36 20.431 33.781 5.910 1.00 25.00 N ATOM 515 CA SER A 36 19.835 33.351 7.176 1.00 25.00 C ATOM 516 C SER A 36 19.300 31.929 7.071 1.00 25.00 C ATOM 517 O SER A 36 19.539 31.109 7.941 1.00 25.00 O ATOM 518 CB SER A 36 18.704 34.290 7.597 1.00 25.00 C ATOM 519 OG SER A 36 18.289 34.015 8.926 1.00 25.00 O ATOM 0 H SER A 36 19.872 34.465 5.400 1.00 25.00 H new ATOM 0 HA SER A 36 20.620 33.381 7.932 1.00 25.00 H new ATOM 0 HB2 SER A 36 19.038 35.325 7.522 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.860 34.177 6.917 1.00 25.00 H new ATOM 0 HG SER A 36 17.566 34.627 9.176 1.00 25.00 H new ATOM 525 N LEU A 37 18.617 31.607 5.987 1.00 25.00 N ATOM 526 CA LEU A 37 18.112 30.245 5.817 1.00 25.00 C ATOM 527 C LEU A 37 19.244 29.296 5.649 1.00 25.00 C ATOM 528 O LEU A 37 19.169 28.137 5.998 1.00 25.00 O ATOM 529 CB LEU A 37 17.149 30.158 4.656 1.00 25.00 C ATOM 530 CG LEU A 37 17.474 30.239 3.160 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.223 29.033 2.614 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.123 30.412 2.456 1.00 25.00 C ATOM 0 H LEU A 37 18.400 32.249 5.224 1.00 25.00 H new ATOM 0 HA LEU A 37 17.561 29.969 6.716 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.631 29.207 4.785 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.417 30.946 4.832 1.00 25.00 H new ATOM 0 HG LEU A 37 18.156 31.071 2.981 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.412 29.173 1.550 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.172 28.925 3.140 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.623 28.135 2.761 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.280 30.477 1.379 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.485 29.557 2.679 1.00 25.00 H new ATOM 0 HD23 LEU A 37 15.643 31.325 2.809 1.00 25.00 H new ATOM 544 N LEU A 38 20.306 29.802 5.083 1.00 25.00 N ATOM 545 CA LEU A 38 21.479 29.015 4.851 1.00 25.00 C ATOM 546 C LEU A 38 22.160 28.607 6.142 1.00 25.00 C ATOM 547 O LEU A 38 22.530 27.462 6.296 1.00 25.00 O ATOM 548 CB LEU A 38 22.396 29.823 3.981 1.00 25.00 C ATOM 549 CG LEU A 38 23.642 29.077 3.495 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.266 27.950 2.563 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.587 30.032 2.821 1.00 25.00 C ATOM 0 H LEU A 38 20.379 30.770 4.771 1.00 25.00 H new ATOM 0 HA LEU A 38 21.205 28.083 4.357 1.00 25.00 H new ATOM 0 HB2 LEU A 38 21.837 30.172 3.113 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.712 30.708 4.533 1.00 25.00 H new ATOM 0 HG LEU A 38 24.143 28.642 4.360 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.168 27.436 2.232 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.618 27.246 3.086 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.740 28.353 1.698 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.469 29.491 2.480 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.091 30.493 1.967 1.00 25.00 H new ATOM 0 HD23 LEU A 38 24.887 30.806 3.527 1.00 25.00 H new ATOM 563 N LYS A 39 22.283 29.513 7.098 1.00 25.00 N ATOM 564 CA LYS A 39 22.839 29.127 8.409 1.00 25.00 C ATOM 565 C LYS A 39 21.892 28.216 9.178 1.00 25.00 C ATOM 566 O LYS A 39 22.342 27.390 9.959 1.00 25.00 O ATOM 567 CB LYS A 39 23.255 30.339 9.260 1.00 25.00 C ATOM 568 CG LYS A 39 22.243 31.475 9.322 1.00 25.00 C ATOM 569 CD LYS A 39 22.601 32.537 10.347 1.00 25.00 C ATOM 570 CE LYS A 39 23.785 33.382 9.881 1.00 25.00 C ATOM 571 NZ LYS A 39 24.086 34.474 10.865 1.00 25.00 N ATOM 0 H LYS A 39 22.018 30.494 7.009 1.00 25.00 H new ATOM 0 HA LYS A 39 23.748 28.564 8.197 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.453 29.997 10.276 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.193 30.732 8.867 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.166 31.939 8.339 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.261 31.066 9.559 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.739 33.181 10.523 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.843 32.061 11.297 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.663 32.748 9.757 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.565 33.817 8.906 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.894 35.034 10.526 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 23.255 35.091 10.964 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 24.318 34.055 11.788 1.00 25.00 H new ATOM 585 N GLU A 40 20.599 28.325 8.921 1.00 25.00 N ATOM 586 CA GLU A 40 19.622 27.438 9.552 1.00 25.00 C ATOM 587 C GLU A 40 19.655 26.036 8.932 1.00 25.00 C ATOM 588 O GLU A 40 19.727 25.034 9.638 1.00 25.00 O ATOM 589 CB GLU A 40 18.218 28.016 9.371 1.00 25.00 C ATOM 590 CG GLU A 40 17.944 29.256 10.214 1.00 25.00 C ATOM 591 CD GLU A 40 16.641 29.947 9.822 1.00 25.00 C ATOM 592 OE1 GLU A 40 15.966 29.478 8.874 1.00 25.00 O ATOM 593 OE2 GLU A 40 16.308 30.977 10.447 1.00 25.00 O ATOM 0 H GLU A 40 20.198 29.013 8.284 1.00 25.00 H new ATOM 0 HA GLU A 40 19.875 27.360 10.609 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.071 28.264 8.320 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.485 27.249 9.623 1.00 25.00 H new ATOM 0 HG2 GLU A 40 17.901 28.975 11.266 1.00 25.00 H new ATOM 0 HG3 GLU A 40 18.772 29.957 10.105 1.00 25.00 H new ATOM 600 N ARG A 41 19.559 25.964 7.610 1.00 25.00 N ATOM 601 CA ARG A 41 19.465 24.667 6.913 1.00 25.00 C ATOM 602 C ARG A 41 20.799 24.014 6.557 1.00 25.00 C ATOM 603 O ARG A 41 20.870 22.798 6.404 1.00 25.00 O ATOM 604 CB ARG A 41 18.629 24.820 5.639 1.00 25.00 C ATOM 605 CG ARG A 41 17.227 25.349 5.923 1.00 25.00 C ATOM 606 CD ARG A 41 16.191 24.831 4.919 1.00 25.00 C ATOM 607 NE ARG A 41 16.335 25.397 3.562 1.00 25.00 N ATOM 608 CZ ARG A 41 15.674 26.453 3.092 1.00 25.00 C ATOM 609 NH1 ARG A 41 14.834 27.141 3.829 1.00 25.00 N ATOM 610 NH2 ARG A 41 15.856 26.818 1.853 1.00 25.00 N ATOM 0 H ARG A 41 19.543 26.777 6.994 1.00 25.00 H new ATOM 0 HA ARG A 41 18.991 23.998 7.631 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.138 25.497 4.953 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.556 23.855 5.138 1.00 25.00 H new ATOM 0 HG2 ARG A 41 16.929 25.058 6.930 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.241 26.439 5.897 1.00 25.00 H new ATOM 0 HD2 ARG A 41 16.269 23.745 4.859 1.00 25.00 H new ATOM 0 HD3 ARG A 41 15.193 25.059 5.293 1.00 25.00 H new ATOM 0 HE ARG A 41 16.996 24.941 2.933 1.00 25.00 H new ATOM 0 HH11 ARG A 41 14.668 26.872 4.799 1.00 25.00 H new ATOM 0 HH12 ARG A 41 14.347 27.944 3.432 1.00 25.00 H new ATOM 0 HH21 ARG A 41 16.498 26.296 1.257 1.00 25.00 H new ATOM 0 HH22 ARG A 41 15.356 27.625 1.480 1.00 25.00 H new ATOM 624 N ASN A 42 21.836 24.813 6.389 1.00 25.00 N ATOM 625 CA ASN A 42 23.173 24.307 6.031 1.00 25.00 C ATOM 626 C ASN A 42 24.309 25.014 6.782 1.00 25.00 C ATOM 627 O ASN A 42 25.123 25.719 6.165 1.00 25.00 O ATOM 628 CB ASN A 42 23.419 24.478 4.528 1.00 25.00 C ATOM 629 CG ASN A 42 24.515 23.579 4.017 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.189 22.906 4.774 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.689 23.554 2.732 1.00 25.00 N ATOM 0 H ASN A 42 21.789 25.827 6.493 1.00 25.00 H new ATOM 0 HA ASN A 42 23.180 23.255 6.316 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.497 24.266 3.986 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.679 25.516 4.321 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.409 22.957 2.326 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.105 24.132 2.127 1.00 25.00 H new ATOM 638 N PRO A 43 24.406 24.825 8.109 1.00 25.00 N ATOM 639 CA PRO A 43 25.489 25.546 8.794 1.00 25.00 C ATOM 640 C PRO A 43 26.940 25.362 8.276 1.00 25.00 C ATOM 641 O PRO A 43 27.684 26.342 8.263 1.00 25.00 O ATOM 642 CB PRO A 43 25.334 25.110 10.259 1.00 25.00 C ATOM 643 CG PRO A 43 24.513 23.864 10.221 1.00 25.00 C ATOM 644 CD PRO A 43 23.592 24.037 9.054 1.00 25.00 C ATOM 0 HA PRO A 43 25.372 26.614 8.610 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.305 24.926 10.718 1.00 25.00 H new ATOM 0 HB3 PRO A 43 24.844 25.885 10.849 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.141 22.982 10.099 1.00 25.00 H new ATOM 0 HG3 PRO A 43 23.954 23.732 11.148 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.293 23.079 8.629 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.678 24.560 9.334 1.00 25.00 H new ATOM 652 N PRO A 44 27.353 24.156 7.797 1.00 25.00 N ATOM 653 CA PRO A 44 28.744 24.198 7.315 1.00 25.00 C ATOM 654 C PRO A 44 28.985 25.012 6.028 1.00 25.00 C ATOM 655 O PRO A 44 30.060 25.580 5.855 1.00 25.00 O ATOM 656 CB PRO A 44 29.075 22.720 7.097 1.00 25.00 C ATOM 657 CG PRO A 44 27.789 22.109 6.755 1.00 25.00 C ATOM 658 CD PRO A 44 26.798 22.795 7.660 1.00 25.00 C ATOM 0 HA PRO A 44 29.378 24.715 8.035 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.803 22.589 6.297 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.503 22.272 7.994 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.542 22.264 5.705 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.803 21.032 6.924 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.799 22.810 7.225 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.719 22.293 8.624 1.00 25.00 H new ATOM 666 N LEU A 45 28.012 25.106 5.124 1.00 25.00 N ATOM 667 CA LEU A 45 28.209 25.953 3.942 1.00 25.00 C ATOM 668 C LEU A 45 28.066 27.403 4.374 1.00 25.00 C ATOM 669 O LEU A 45 28.724 28.298 3.852 1.00 25.00 O ATOM 670 CB LEU A 45 27.212 25.622 2.832 1.00 25.00 C ATOM 671 CG LEU A 45 27.410 26.368 1.494 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.813 26.162 0.904 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.367 25.884 0.487 1.00 25.00 C ATOM 0 H LEU A 45 27.112 24.629 5.178 1.00 25.00 H new ATOM 0 HA LEU A 45 29.203 25.772 3.532 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.259 24.551 2.637 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.208 25.836 3.198 1.00 25.00 H new ATOM 0 HG LEU A 45 27.293 27.433 1.696 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.896 26.708 -0.035 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.561 26.531 1.606 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.979 25.100 0.722 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.504 26.408 -0.459 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.485 24.812 0.328 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.368 26.086 0.873 1.00 25.00 H new ATOM 685 N ALA A 46 27.214 27.628 5.358 1.00 25.00 N ATOM 686 CA ALA A 46 27.030 28.967 5.880 1.00 25.00 C ATOM 687 C ALA A 46 28.294 29.529 6.530 1.00 25.00 C ATOM 688 O ALA A 46 28.646 30.653 6.246 1.00 25.00 O ATOM 689 CB ALA A 46 25.904 28.986 6.858 1.00 25.00 C ATOM 0 H ALA A 46 26.645 26.910 5.806 1.00 25.00 H new ATOM 0 HA ALA A 46 26.795 29.608 5.030 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.774 29.997 7.244 1.00 25.00 H new ATOM 0 HB2 ALA A 46 24.987 28.666 6.363 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.127 28.309 7.682 1.00 25.00 H new ATOM 695 N GLU A 47 28.968 28.779 7.397 1.00 25.00 N ATOM 696 CA GLU A 47 30.160 29.309 8.093 1.00 25.00 C ATOM 697 C GLU A 47 31.245 29.696 7.087 1.00 25.00 C ATOM 698 O GLU A 47 31.986 30.667 7.279 1.00 25.00 O ATOM 699 CB GLU A 47 30.712 28.318 9.130 1.00 25.00 C ATOM 700 CG GLU A 47 31.262 27.026 8.550 1.00 25.00 C ATOM 701 CD GLU A 47 31.980 26.189 9.582 1.00 25.00 C ATOM 702 OE1 GLU A 47 33.223 26.325 9.680 1.00 25.00 O ATOM 703 OE2 GLU A 47 31.321 25.393 10.282 1.00 25.00 O ATOM 0 H GLU A 47 28.724 27.819 7.639 1.00 25.00 H new ATOM 0 HA GLU A 47 29.847 30.202 8.633 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.502 28.810 9.697 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.918 28.073 9.836 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.444 26.446 8.122 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.948 27.260 7.735 1.00 25.00 H new ATOM 710 N ALA A 48 31.281 28.972 5.980 1.00 25.00 N ATOM 711 CA ALA A 48 32.157 29.263 4.886 1.00 25.00 C ATOM 712 C ALA A 48 31.868 30.645 4.303 1.00 25.00 C ATOM 713 O ALA A 48 32.781 31.433 4.065 1.00 25.00 O ATOM 714 CB ALA A 48 31.989 28.172 3.835 1.00 25.00 C ATOM 0 H ALA A 48 30.689 28.156 5.826 1.00 25.00 H new ATOM 0 HA ALA A 48 33.190 29.279 5.234 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.649 28.375 2.991 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.243 27.205 4.270 1.00 25.00 H new ATOM 0 HB3 ALA A 48 30.955 28.154 3.491 1.00 25.00 H new ATOM 720 N LEU A 49 30.591 30.946 4.129 1.00 25.00 N ATOM 721 CA LEU A 49 30.161 32.241 3.625 1.00 25.00 C ATOM 722 C LEU A 49 30.487 33.347 4.626 1.00 25.00 C ATOM 723 O LEU A 49 30.915 34.429 4.244 1.00 25.00 O ATOM 724 CB LEU A 49 28.646 32.221 3.393 1.00 25.00 C ATOM 725 CG LEU A 49 28.070 33.471 2.725 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.275 33.386 1.228 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.595 33.605 3.063 1.00 25.00 C ATOM 0 H LEU A 49 29.826 30.303 4.332 1.00 25.00 H new ATOM 0 HA LEU A 49 30.687 32.438 2.691 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.401 31.355 2.778 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.150 32.081 4.353 1.00 25.00 H new ATOM 0 HG LEU A 49 28.587 34.356 3.097 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.864 34.277 0.753 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.341 33.317 1.010 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.768 32.502 0.841 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.192 34.497 2.584 1.00 25.00 H new ATOM 0 HD22 LEU A 49 26.058 32.727 2.705 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.475 33.688 4.143 1.00 25.00 H new ATOM 739 N LEU A 50 30.276 33.068 5.908 1.00 25.00 N ATOM 740 CA LEU A 50 30.458 34.077 6.962 1.00 25.00 C ATOM 741 C LEU A 50 31.907 34.525 7.048 1.00 25.00 C ATOM 742 O LEU A 50 32.203 35.640 7.454 1.00 25.00 O ATOM 743 CB LEU A 50 30.053 33.538 8.345 1.00 25.00 C ATOM 744 CG LEU A 50 28.684 32.869 8.540 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.392 32.715 10.018 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.541 33.582 7.828 1.00 25.00 C ATOM 0 H LEU A 50 29.979 32.154 6.249 1.00 25.00 H new ATOM 0 HA LEU A 50 29.817 34.916 6.692 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.812 32.816 8.646 1.00 25.00 H new ATOM 0 HB3 LEU A 50 30.109 34.371 9.046 1.00 25.00 H new ATOM 0 HG LEU A 50 28.747 31.887 8.072 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.420 32.240 10.149 1.00 25.00 H new ATOM 0 HD12 LEU A 50 29.163 32.097 10.479 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.383 33.697 10.491 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.608 33.050 8.014 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.458 34.602 8.204 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.738 33.606 6.756 1.00 25.00 H new ATOM 758 N SER A 51 32.809 33.630 6.682 1.00 25.00 N ATOM 759 CA SER A 51 34.228 33.909 6.722 1.00 25.00 C ATOM 760 C SER A 51 34.669 34.797 5.558 1.00 25.00 C ATOM 761 O SER A 51 35.719 35.423 5.615 1.00 25.00 O ATOM 762 CB SER A 51 34.967 32.600 6.635 1.00 25.00 C ATOM 763 OG SER A 51 34.584 31.716 7.682 1.00 25.00 O ATOM 0 H SER A 51 32.576 32.694 6.350 1.00 25.00 H new ATOM 0 HA SER A 51 34.449 34.437 7.650 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.768 32.132 5.671 1.00 25.00 H new ATOM 0 HB3 SER A 51 36.040 32.783 6.686 1.00 25.00 H new ATOM 0 HG SER A 51 33.681 31.376 7.509 1.00 25.00 H new ATOM 769 N GLY A 52 33.891 34.794 4.482 1.00 25.00 N ATOM 770 CA GLY A 52 34.208 35.589 3.301 1.00 25.00 C ATOM 771 C GLY A 52 35.104 34.854 2.322 1.00 25.00 C ATOM 772 O GLY A 52 35.145 35.174 1.129 1.00 25.00 O ATOM 0 H GLY A 52 33.033 34.248 4.403 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.282 35.871 2.799 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.696 36.513 3.611 1.00 25.00 H new ATOM 776 N ASP A 53 35.812 33.855 2.829 1.00 25.00 N ATOM 777 CA ASP A 53 36.728 33.049 2.027 1.00 25.00 C ATOM 778 C ASP A 53 36.002 32.286 0.925 1.00 25.00 C ATOM 779 O ASP A 53 35.195 31.392 1.198 1.00 25.00 O ATOM 780 CB ASP A 53 37.438 32.017 2.893 1.00 25.00 C ATOM 781 CG ASP A 53 38.495 31.272 2.131 1.00 25.00 C ATOM 782 OD1 ASP A 53 38.928 31.761 1.068 1.00 25.00 O ATOM 783 OD2 ASP A 53 38.826 30.147 2.541 1.00 25.00 O ATOM 0 H ASP A 53 35.769 33.578 3.810 1.00 25.00 H new ATOM 0 HA ASP A 53 37.439 33.748 1.586 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.892 32.514 3.750 1.00 25.00 H new ATOM 0 HB3 ASP A 53 36.708 31.309 3.285 1.00 25.00 H new ATOM 788 N LEU A 54 36.325 32.589 -0.322 1.00 25.00 N ATOM 789 CA LEU A 54 35.741 31.859 -1.436 1.00 25.00 C ATOM 790 C LEU A 54 36.249 30.432 -1.421 1.00 25.00 C ATOM 791 O LEU A 54 35.512 29.519 -1.736 1.00 25.00 O ATOM 792 CB LEU A 54 36.102 32.505 -2.775 1.00 25.00 C ATOM 793 CG LEU A 54 35.461 31.924 -4.057 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.285 30.791 -4.680 1.00 25.00 C ATOM 795 CD2 LEU A 54 34.001 31.472 -3.868 1.00 25.00 C ATOM 0 H LEU A 54 36.979 33.325 -0.587 1.00 25.00 H new ATOM 0 HA LEU A 54 34.657 31.879 -1.325 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.838 33.561 -2.718 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.185 32.453 -2.890 1.00 25.00 H new ATOM 0 HG LEU A 54 35.456 32.763 -4.753 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.783 30.426 -5.576 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.274 31.164 -4.945 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.385 29.977 -3.962 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.618 31.076 -4.809 1.00 25.00 H new ATOM 0 HD22 LEU A 54 33.956 30.697 -3.103 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.394 32.323 -3.559 1.00 25.00 H new ATOM 807 N GLU A 55 37.505 30.234 -1.069 1.00 25.00 N ATOM 808 CA GLU A 55 38.093 28.900 -1.135 1.00 25.00 C ATOM 809 C GLU A 55 37.327 27.953 -0.235 1.00 25.00 C ATOM 810 O GLU A 55 36.866 26.908 -0.683 1.00 25.00 O ATOM 811 CB GLU A 55 39.561 28.925 -0.726 1.00 25.00 C ATOM 812 CG GLU A 55 40.412 29.889 -1.520 1.00 25.00 C ATOM 813 CD GLU A 55 40.672 29.412 -2.948 1.00 25.00 C ATOM 814 OE1 GLU A 55 41.808 28.982 -3.236 1.00 25.00 O ATOM 815 OE2 GLU A 55 39.741 29.481 -3.786 1.00 25.00 O ATOM 0 H GLU A 55 38.134 30.965 -0.738 1.00 25.00 H new ATOM 0 HA GLU A 55 38.031 28.553 -2.167 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.627 29.185 0.330 1.00 25.00 H new ATOM 0 HB3 GLU A 55 39.973 27.922 -0.833 1.00 25.00 H new ATOM 0 HG2 GLU A 55 39.920 30.861 -1.551 1.00 25.00 H new ATOM 0 HG3 GLU A 55 41.365 30.030 -1.010 1.00 25.00 H new ATOM 822 N LYS A 56 37.125 28.335 1.019 1.00 25.00 N ATOM 823 CA LYS A 56 36.344 27.492 1.928 1.00 25.00 C ATOM 824 C LYS A 56 34.897 27.398 1.462 1.00 25.00 C ATOM 825 O LYS A 56 34.311 26.331 1.539 1.00 25.00 O ATOM 826 CB LYS A 56 36.466 27.936 3.406 1.00 25.00 C ATOM 827 CG LYS A 56 35.575 28.971 3.894 1.00 25.00 C ATOM 828 CD LYS A 56 36.101 29.491 5.241 1.00 25.00 C ATOM 829 CE LYS A 56 35.582 28.673 6.439 1.00 25.00 C ATOM 830 NZ LYS A 56 36.098 29.183 7.753 1.00 25.00 N ATOM 0 H LYS A 56 37.479 29.200 1.427 1.00 25.00 H new ATOM 0 HA LYS A 56 36.768 26.488 1.892 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.322 27.054 4.030 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.489 28.277 3.566 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.515 29.787 3.173 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.566 28.575 4.012 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.191 29.466 5.235 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.806 30.533 5.363 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.492 28.698 6.446 1.00 25.00 H new ATOM 0 HE3 LYS A 56 35.876 27.631 6.317 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.817 28.531 8.513 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 37.135 29.247 7.717 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.699 30.125 7.941 1.00 25.00 H new ATOM 844 N PHE A 57 34.336 28.469 0.918 1.00 25.00 N ATOM 845 CA PHE A 57 32.964 28.409 0.407 1.00 25.00 C ATOM 846 C PHE A 57 32.839 27.395 -0.721 1.00 25.00 C ATOM 847 O PHE A 57 31.992 26.519 -0.665 1.00 25.00 O ATOM 848 CB PHE A 57 32.481 29.786 -0.045 1.00 25.00 C ATOM 849 CG PHE A 57 31.058 29.785 -0.528 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.766 29.666 -1.901 1.00 25.00 C ATOM 851 CD2 PHE A 57 29.993 29.878 0.389 1.00 25.00 C ATOM 852 CE1 PHE A 57 29.427 29.644 -2.358 1.00 25.00 C ATOM 853 CE2 PHE A 57 28.649 29.852 -0.058 1.00 25.00 C ATOM 854 CZ PHE A 57 28.369 29.732 -1.434 1.00 25.00 C ATOM 0 H PHE A 57 34.794 29.375 0.818 1.00 25.00 H new ATOM 0 HA PHE A 57 32.324 28.081 1.226 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.576 30.487 0.784 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.129 30.147 -0.844 1.00 25.00 H new ATOM 0 HD1 PHE A 57 31.574 29.591 -2.614 1.00 25.00 H new ATOM 0 HD2 PHE A 57 30.203 29.970 1.444 1.00 25.00 H new ATOM 0 HE1 PHE A 57 29.217 29.560 -3.414 1.00 25.00 H new ATOM 0 HE2 PHE A 57 27.840 29.924 0.654 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.346 29.708 -1.778 1.00 25.00 H new ATOM 864 N SER A 58 33.709 27.478 -1.715 1.00 25.00 N ATOM 865 CA SER A 58 33.708 26.551 -2.835 1.00 25.00 C ATOM 866 C SER A 58 34.012 25.136 -2.383 1.00 25.00 C ATOM 867 O SER A 58 33.348 24.196 -2.785 1.00 25.00 O ATOM 868 CB SER A 58 34.766 26.987 -3.853 1.00 25.00 C ATOM 869 OG SER A 58 34.776 26.125 -4.975 1.00 25.00 O ATOM 0 H SER A 58 34.437 28.191 -1.768 1.00 25.00 H new ATOM 0 HA SER A 58 32.715 26.563 -3.285 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.565 28.008 -4.176 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.749 26.989 -3.383 1.00 25.00 H new ATOM 0 HG SER A 58 35.458 26.424 -5.612 1.00 25.00 H new ATOM 875 N ARG A 59 34.996 24.980 -1.515 1.00 25.00 N ATOM 876 CA ARG A 59 35.390 23.657 -1.045 1.00 25.00 C ATOM 877 C ARG A 59 34.228 22.968 -0.344 1.00 25.00 C ATOM 878 O ARG A 59 33.960 21.795 -0.584 1.00 25.00 O ATOM 879 CB ARG A 59 36.602 23.795 -0.116 1.00 25.00 C ATOM 880 CG ARG A 59 37.202 22.469 0.351 1.00 25.00 C ATOM 881 CD ARG A 59 36.654 22.029 1.703 1.00 25.00 C ATOM 882 NE ARG A 59 37.137 20.685 2.056 1.00 25.00 N ATOM 883 CZ ARG A 59 36.657 19.935 3.041 1.00 25.00 C ATOM 884 NH1 ARG A 59 35.705 20.354 3.836 1.00 25.00 N ATOM 885 NH2 ARG A 59 37.131 18.737 3.216 1.00 25.00 N ATOM 0 H ARG A 59 35.538 25.749 -1.120 1.00 25.00 H new ATOM 0 HA ARG A 59 35.668 23.035 -1.896 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.374 24.366 -0.631 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.308 24.374 0.760 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.994 21.698 -0.391 1.00 25.00 H new ATOM 0 HG3 ARG A 59 38.286 22.566 0.415 1.00 25.00 H new ATOM 0 HD2 ARG A 59 36.956 22.741 2.471 1.00 25.00 H new ATOM 0 HD3 ARG A 59 35.564 22.032 1.676 1.00 25.00 H new ATOM 0 HE ARG A 59 37.900 20.299 1.501 1.00 25.00 H new ATOM 0 HH11 ARG A 59 35.307 21.285 3.709 1.00 25.00 H new ATOM 0 HH12 ARG A 59 35.361 19.750 4.582 1.00 25.00 H new ATOM 0 HH21 ARG A 59 37.863 18.383 2.600 1.00 25.00 H new ATOM 0 HH22 ARG A 59 36.771 18.151 3.969 1.00 25.00 H new ATOM 899 N VAL A 60 33.517 23.693 0.503 1.00 25.00 N ATOM 900 CA VAL A 60 32.375 23.113 1.204 1.00 25.00 C ATOM 901 C VAL A 60 31.223 22.920 0.223 1.00 25.00 C ATOM 902 O VAL A 60 30.494 21.941 0.311 1.00 25.00 O ATOM 903 CB VAL A 60 31.931 23.984 2.411 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.702 23.371 3.085 1.00 25.00 C ATOM 905 CG2 VAL A 60 33.073 24.084 3.444 1.00 25.00 C ATOM 0 H VAL A 60 33.703 24.671 0.723 1.00 25.00 H new ATOM 0 HA VAL A 60 32.676 22.146 1.607 1.00 25.00 H new ATOM 0 HB VAL A 60 31.684 24.979 2.041 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.402 23.992 3.929 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.884 23.315 2.367 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.943 22.369 3.440 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.750 24.697 4.285 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.330 23.086 3.800 1.00 25.00 H new ATOM 0 HG23 VAL A 60 33.947 24.539 2.978 1.00 25.00 H new ATOM 915 N LEU A 61 31.084 23.814 -0.745 1.00 25.00 N ATOM 916 CA LEU A 61 30.043 23.686 -1.767 1.00 25.00 C ATOM 917 C LEU A 61 30.209 22.365 -2.515 1.00 25.00 C ATOM 918 O LEU A 61 29.234 21.659 -2.764 1.00 25.00 O ATOM 919 CB LEU A 61 30.127 24.858 -2.751 1.00 25.00 C ATOM 920 CG LEU A 61 28.912 25.054 -3.661 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.101 26.219 -3.150 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.318 25.345 -5.085 1.00 25.00 C ATOM 0 H LEU A 61 31.677 24.638 -0.848 1.00 25.00 H new ATOM 0 HA LEU A 61 29.067 23.700 -1.282 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.282 25.775 -2.182 1.00 25.00 H new ATOM 0 HB3 LEU A 61 31.008 24.719 -3.378 1.00 25.00 H new ATOM 0 HG LEU A 61 28.333 24.131 -3.650 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.233 26.367 -3.792 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.769 26.013 -2.132 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.715 27.120 -3.156 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.426 25.477 -5.698 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.917 26.255 -5.114 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.905 24.513 -5.473 1.00 25.00 H new ATOM 934 N VAL A 62 31.446 22.007 -2.826 1.00 25.00 N ATOM 935 CA VAL A 62 31.726 20.741 -3.501 1.00 25.00 C ATOM 936 C VAL A 62 31.449 19.573 -2.567 1.00 25.00 C ATOM 937 O VAL A 62 30.816 18.610 -2.956 1.00 25.00 O ATOM 938 CB VAL A 62 33.185 20.667 -4.013 1.00 25.00 C ATOM 939 CG1 VAL A 62 33.472 19.302 -4.651 1.00 25.00 C ATOM 940 CG2 VAL A 62 33.416 21.752 -5.038 1.00 25.00 C ATOM 0 H VAL A 62 32.272 22.571 -2.624 1.00 25.00 H new ATOM 0 HA VAL A 62 31.066 20.683 -4.366 1.00 25.00 H new ATOM 0 HB VAL A 62 33.855 20.805 -3.164 1.00 25.00 H new ATOM 0 HG11 VAL A 62 34.503 19.275 -5.003 1.00 25.00 H new ATOM 0 HG12 VAL A 62 33.320 18.516 -3.912 1.00 25.00 H new ATOM 0 HG13 VAL A 62 32.797 19.144 -5.492 1.00 25.00 H new ATOM 0 HG21 VAL A 62 34.443 21.699 -5.398 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.731 21.614 -5.874 1.00 25.00 H new ATOM 0 HG23 VAL A 62 33.241 22.726 -4.582 1.00 25.00 H new ATOM 950 N GLU A 63 31.875 19.665 -1.322 1.00 25.00 N ATOM 951 CA GLU A 63 31.603 18.580 -0.363 1.00 25.00 C ATOM 952 C GLU A 63 30.093 18.342 -0.220 1.00 25.00 C ATOM 953 O GLU A 63 29.621 17.203 -0.207 1.00 25.00 O ATOM 954 CB GLU A 63 32.196 18.897 1.011 1.00 25.00 C ATOM 955 CG GLU A 63 33.711 18.890 1.037 1.00 25.00 C ATOM 956 CD GLU A 63 34.265 17.901 2.051 1.00 25.00 C ATOM 957 OE1 GLU A 63 35.060 17.028 1.654 1.00 25.00 O ATOM 958 OE2 GLU A 63 33.968 18.045 3.260 1.00 25.00 O ATOM 0 H GLU A 63 32.399 20.454 -0.945 1.00 25.00 H new ATOM 0 HA GLU A 63 32.074 17.677 -0.753 1.00 25.00 H new ATOM 0 HB2 GLU A 63 31.840 19.876 1.333 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.826 18.170 1.733 1.00 25.00 H new ATOM 0 HG2 GLU A 63 34.088 18.640 0.045 1.00 25.00 H new ATOM 0 HG3 GLU A 63 34.073 19.891 1.273 1.00 25.00 H new