USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=4 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 -105:sc= 1.25 USER MOD Set 1.2: A 56 LYS NZ :NH3+ 158:sc= 0.0548 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -1.11 K(o=-1.1,f=-6.6!) USER MOD Single : A 33 HIS : no HD1:sc=-0.00639 X(o=-0.0064,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= -0.0109 K(o=-0.011,f=-2.7!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0107 USER MOD ----------------------------------------------------------------- ATOM 272 N PRO A 21 30.816 29.196 -7.563 1.00 25.00 N ATOM 273 CA PRO A 21 30.715 29.600 -6.156 1.00 25.00 C ATOM 274 C PRO A 21 31.008 31.072 -5.938 1.00 25.00 C ATOM 275 O PRO A 21 30.550 31.649 -4.972 1.00 25.00 O ATOM 276 CB PRO A 21 31.786 28.745 -5.467 1.00 25.00 C ATOM 277 CG PRO A 21 32.719 28.395 -6.528 1.00 25.00 C ATOM 278 CD PRO A 21 31.892 28.208 -7.750 1.00 25.00 C ATOM 0 HA PRO A 21 29.705 29.455 -5.771 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.282 29.299 -4.670 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.350 27.855 -5.013 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.459 29.182 -6.673 1.00 25.00 H new ATOM 0 HG3 PRO A 21 33.266 27.485 -6.283 1.00 25.00 H new ATOM 0 HD2 PRO A 21 32.463 28.397 -8.659 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.502 27.193 -7.824 1.00 25.00 H new ATOM 286 N ALA A 22 31.758 31.689 -6.838 1.00 25.00 N ATOM 287 CA ALA A 22 32.059 33.109 -6.714 1.00 25.00 C ATOM 288 C ALA A 22 30.776 33.933 -6.825 1.00 25.00 C ATOM 289 O ALA A 22 30.571 34.870 -6.058 1.00 25.00 O ATOM 290 CB ALA A 22 33.069 33.525 -7.781 1.00 25.00 C ATOM 0 H ALA A 22 32.167 31.235 -7.655 1.00 25.00 H new ATOM 0 HA ALA A 22 32.499 33.296 -5.734 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.288 34.588 -7.680 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.988 32.952 -7.655 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.654 33.332 -8.770 1.00 25.00 H new ATOM 296 N LEU A 23 29.909 33.561 -7.757 1.00 25.00 N ATOM 297 CA LEU A 23 28.642 34.267 -7.945 1.00 25.00 C ATOM 298 C LEU A 23 27.669 33.918 -6.833 1.00 25.00 C ATOM 299 O LEU A 23 26.963 34.779 -6.330 1.00 25.00 O ATOM 300 CB LEU A 23 28.000 33.909 -9.291 1.00 25.00 C ATOM 301 CG LEU A 23 28.805 34.241 -10.559 1.00 25.00 C ATOM 302 CD1 LEU A 23 28.012 33.802 -11.792 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.128 35.726 -10.663 1.00 25.00 C ATOM 0 H LEU A 23 30.056 32.778 -8.394 1.00 25.00 H new ATOM 0 HA LEU A 23 28.860 35.335 -7.926 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.791 32.839 -9.293 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.040 34.421 -9.355 1.00 25.00 H new ATOM 0 HG LEU A 23 29.751 33.703 -10.502 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.580 34.036 -12.692 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.832 32.728 -11.745 1.00 25.00 H new ATOM 0 HD13 LEU A 23 27.058 34.329 -11.818 1.00 25.00 H new ATOM 0 HD21 LEU A 23 29.697 35.912 -11.574 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.201 36.299 -10.691 1.00 25.00 H new ATOM 0 HD23 LEU A 23 29.717 36.032 -9.798 1.00 25.00 H new ATOM 315 N LEU A 24 27.635 32.654 -6.438 1.00 25.00 N ATOM 316 CA LEU A 24 26.715 32.230 -5.380 1.00 25.00 C ATOM 317 C LEU A 24 27.073 32.905 -4.055 1.00 25.00 C ATOM 318 O LEU A 24 26.199 33.351 -3.328 1.00 25.00 O ATOM 319 CB LEU A 24 26.734 30.703 -5.234 1.00 25.00 C ATOM 320 CG LEU A 24 25.634 30.018 -4.393 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.296 30.765 -4.358 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.396 28.622 -4.963 1.00 25.00 C ATOM 0 H LEU A 24 28.220 31.912 -6.822 1.00 25.00 H new ATOM 0 HA LEU A 24 25.706 32.535 -5.656 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.696 30.276 -6.236 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.697 30.425 -4.805 1.00 25.00 H new ATOM 0 HG LEU A 24 25.998 29.999 -3.366 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.586 30.210 -3.745 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.445 31.758 -3.933 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.905 30.859 -5.371 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.622 28.119 -4.383 1.00 25.00 H new ATOM 0 HD22 LEU A 24 25.076 28.703 -6.002 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.320 28.046 -4.911 1.00 25.00 H new ATOM 334 N ARG A 25 28.364 33.029 -3.776 1.00 25.00 N ATOM 335 CA ARG A 25 28.839 33.731 -2.584 1.00 25.00 C ATOM 336 C ARG A 25 28.338 35.167 -2.609 1.00 25.00 C ATOM 337 O ARG A 25 27.880 35.683 -1.602 1.00 25.00 O ATOM 338 CB ARG A 25 30.378 33.685 -2.559 1.00 25.00 C ATOM 339 CG ARG A 25 31.069 34.475 -1.441 1.00 25.00 C ATOM 340 CD ARG A 25 31.498 35.874 -1.903 1.00 25.00 C ATOM 341 NE ARG A 25 32.436 35.838 -3.035 1.00 25.00 N ATOM 342 CZ ARG A 25 32.532 36.772 -3.979 1.00 25.00 C ATOM 343 NH1 ARG A 25 31.788 37.843 -3.981 1.00 25.00 N ATOM 344 NH2 ARG A 25 33.399 36.618 -4.941 1.00 25.00 N ATOM 0 H ARG A 25 29.108 32.651 -4.362 1.00 25.00 H new ATOM 0 HA ARG A 25 28.457 33.251 -1.683 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.687 32.643 -2.481 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.746 34.056 -3.516 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.393 34.566 -0.591 1.00 25.00 H new ATOM 0 HG3 ARG A 25 31.944 33.924 -1.095 1.00 25.00 H new ATOM 0 HD2 ARG A 25 30.614 36.445 -2.188 1.00 25.00 H new ATOM 0 HD3 ARG A 25 31.962 36.401 -1.069 1.00 25.00 H new ATOM 0 HE ARG A 25 33.062 35.035 -3.102 1.00 25.00 H new ATOM 0 HH11 ARG A 25 31.102 37.989 -3.241 1.00 25.00 H new ATOM 0 HH12 ARG A 25 31.893 38.535 -4.723 1.00 25.00 H new ATOM 0 HH21 ARG A 25 33.993 35.789 -4.964 1.00 25.00 H new ATOM 0 HH22 ARG A 25 33.483 37.326 -5.670 1.00 25.00 H new ATOM 358 N ASP A 26 28.427 35.805 -3.763 1.00 25.00 N ATOM 359 CA ASP A 26 28.012 37.198 -3.901 1.00 25.00 C ATOM 360 C ASP A 26 26.503 37.353 -3.698 1.00 25.00 C ATOM 361 O ASP A 26 26.055 38.208 -2.941 1.00 25.00 O ATOM 362 CB ASP A 26 28.409 37.716 -5.285 1.00 25.00 C ATOM 363 CG ASP A 26 28.743 39.194 -5.278 1.00 25.00 C ATOM 364 OD1 ASP A 26 29.559 39.607 -4.421 1.00 25.00 O ATOM 365 OD2 ASP A 26 28.289 39.917 -6.182 1.00 25.00 O ATOM 0 H ASP A 26 28.783 35.384 -4.621 1.00 25.00 H new ATOM 0 HA ASP A 26 28.515 37.783 -3.131 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.270 37.154 -5.646 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.593 37.534 -5.985 1.00 25.00 H new ATOM 370 N MET A 27 25.729 36.475 -4.329 1.00 25.00 N ATOM 371 CA MET A 27 24.269 36.484 -4.196 1.00 25.00 C ATOM 372 C MET A 27 23.858 36.287 -2.753 1.00 25.00 C ATOM 373 O MET A 27 22.986 36.974 -2.251 1.00 25.00 O ATOM 374 CB MET A 27 23.658 35.348 -5.016 1.00 25.00 C ATOM 375 CG MET A 27 22.140 35.395 -5.067 1.00 25.00 C ATOM 376 SD MET A 27 21.431 33.850 -5.660 1.00 25.00 S ATOM 377 CE MET A 27 21.285 32.914 -4.095 1.00 25.00 C ATOM 0 H MET A 27 26.088 35.743 -4.942 1.00 25.00 H new ATOM 0 HA MET A 27 23.913 37.450 -4.554 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.051 35.390 -6.032 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.971 34.394 -4.593 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.751 35.613 -4.072 1.00 25.00 H new ATOM 0 HG3 MET A 27 21.825 36.211 -5.718 1.00 25.00 H new ATOM 0 HE1 MET A 27 20.860 31.931 -4.297 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.272 32.797 -3.647 1.00 25.00 H new ATOM 0 HE3 MET A 27 20.636 33.455 -3.406 1.00 25.00 H new ATOM 387 N LEU A 28 24.482 35.326 -2.096 1.00 25.00 N ATOM 388 CA LEU A 28 24.152 35.005 -0.720 1.00 25.00 C ATOM 389 C LEU A 28 24.424 36.166 0.210 1.00 25.00 C ATOM 390 O LEU A 28 23.606 36.489 1.048 1.00 25.00 O ATOM 391 CB LEU A 28 24.951 33.801 -0.270 1.00 25.00 C ATOM 392 CG LEU A 28 24.229 32.492 -0.564 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.215 31.370 -0.576 1.00 25.00 C ATOM 394 CD2 LEU A 28 23.168 32.252 0.489 1.00 25.00 C ATOM 0 H LEU A 28 25.224 34.752 -2.496 1.00 25.00 H new ATOM 0 HA LEU A 28 23.085 34.784 -0.679 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.919 33.801 -0.771 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.146 33.875 0.800 1.00 25.00 H new ATOM 0 HG LEU A 28 23.748 32.548 -1.541 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.698 30.434 -0.786 1.00 25.00 H new ATOM 0 HD12 LEU A 28 25.964 31.552 -1.347 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.703 31.304 0.396 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.652 31.315 0.278 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.637 32.195 1.471 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.451 33.073 0.476 1.00 25.00 H new ATOM 406 N LEU A 29 25.567 36.812 0.048 1.00 25.00 N ATOM 407 CA LEU A 29 25.915 37.949 0.905 1.00 25.00 C ATOM 408 C LEU A 29 24.950 39.108 0.679 1.00 25.00 C ATOM 409 O LEU A 29 24.613 39.839 1.607 1.00 25.00 O ATOM 410 CB LEU A 29 27.346 38.407 0.627 1.00 25.00 C ATOM 411 CG LEU A 29 28.443 37.441 1.104 1.00 25.00 C ATOM 412 CD1 LEU A 29 29.761 37.827 0.463 1.00 25.00 C ATOM 413 CD2 LEU A 29 28.582 37.435 2.628 1.00 25.00 C ATOM 0 H LEU A 29 26.266 36.578 -0.657 1.00 25.00 H new ATOM 0 HA LEU A 29 25.840 37.627 1.944 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.460 38.561 -0.446 1.00 25.00 H new ATOM 0 HB3 LEU A 29 27.501 39.374 1.106 1.00 25.00 H new ATOM 0 HG LEU A 29 28.160 36.433 0.803 1.00 25.00 H new ATOM 0 HD11 LEU A 29 30.542 37.145 0.798 1.00 25.00 H new ATOM 0 HD12 LEU A 29 29.669 37.769 -0.622 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.021 38.846 0.751 1.00 25.00 H new ATOM 0 HD21 LEU A 29 29.368 36.738 2.919 1.00 25.00 H new ATOM 0 HD22 LEU A 29 28.838 38.436 2.974 1.00 25.00 H new ATOM 0 HD23 LEU A 29 27.639 37.126 3.078 1.00 25.00 H new ATOM 425 N ALA A 30 24.492 39.252 -0.554 1.00 25.00 N ATOM 426 CA ALA A 30 23.546 40.302 -0.911 1.00 25.00 C ATOM 427 C ALA A 30 22.102 39.951 -0.515 1.00 25.00 C ATOM 428 O ALA A 30 21.219 40.806 -0.578 1.00 25.00 O ATOM 429 CB ALA A 30 23.625 40.564 -2.423 1.00 25.00 C ATOM 0 H ALA A 30 24.762 38.650 -1.332 1.00 25.00 H new ATOM 0 HA ALA A 30 23.821 41.199 -0.356 1.00 25.00 H new ATOM 0 HB1 ALA A 30 22.919 41.349 -2.694 1.00 25.00 H new ATOM 0 HB2 ALA A 30 24.635 40.879 -2.685 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.377 39.651 -2.964 1.00 25.00 H new ATOM 435 N ASN A 31 21.849 38.699 -0.149 1.00 25.00 N ATOM 436 CA ASN A 31 20.488 38.246 0.143 1.00 25.00 C ATOM 437 C ASN A 31 20.322 37.853 1.612 1.00 25.00 C ATOM 438 O ASN A 31 20.684 36.743 2.016 1.00 25.00 O ATOM 439 CB ASN A 31 20.134 37.066 -0.759 1.00 25.00 C ATOM 440 CG ASN A 31 18.666 36.775 -0.772 1.00 25.00 C ATOM 441 OD1 ASN A 31 17.999 36.780 0.262 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.143 36.528 -1.939 1.00 25.00 N ATOM 0 H ASN A 31 22.564 37.979 -0.047 1.00 25.00 H new ATOM 0 HA ASN A 31 19.809 39.076 -0.053 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.468 37.276 -1.775 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.674 36.181 -0.422 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.146 36.329 -2.019 1.00 25.00 H new ATOM 0 HD22 ASN A 31 18.731 36.533 -2.773 1.00 25.00 H new ATOM 449 N PRO A 32 19.746 38.749 2.433 1.00 25.00 N ATOM 450 CA PRO A 32 19.671 38.429 3.861 1.00 25.00 C ATOM 451 C PRO A 32 18.783 37.235 4.221 1.00 25.00 C ATOM 452 O PRO A 32 19.004 36.589 5.238 1.00 25.00 O ATOM 453 CB PRO A 32 19.135 39.727 4.473 1.00 25.00 C ATOM 454 CG PRO A 32 18.364 40.359 3.369 1.00 25.00 C ATOM 455 CD PRO A 32 19.186 40.085 2.154 1.00 25.00 C ATOM 0 HA PRO A 32 20.644 38.113 4.237 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.502 39.528 5.338 1.00 25.00 H new ATOM 0 HB3 PRO A 32 19.946 40.372 4.813 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.366 39.929 3.282 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.237 41.429 3.532 1.00 25.00 H new ATOM 0 HD2 PRO A 32 18.581 40.089 1.247 1.00 25.00 H new ATOM 0 HD3 PRO A 32 19.969 40.831 2.018 1.00 25.00 H new ATOM 463 N HIS A 33 17.793 36.922 3.398 1.00 25.00 N ATOM 464 CA HIS A 33 16.922 35.782 3.680 1.00 25.00 C ATOM 465 C HIS A 33 17.629 34.467 3.359 1.00 25.00 C ATOM 466 O HIS A 33 17.550 33.496 4.112 1.00 25.00 O ATOM 467 CB HIS A 33 15.638 35.881 2.854 1.00 25.00 C ATOM 468 CG HIS A 33 14.638 34.816 3.179 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.651 34.940 4.125 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.478 33.563 2.668 1.00 25.00 C ATOM 471 CE1 HIS A 33 12.958 33.806 4.155 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.423 32.928 3.290 1.00 25.00 N ATOM 0 H HIS A 33 17.572 37.430 2.542 1.00 25.00 H new ATOM 0 HA HIS A 33 16.675 35.801 4.741 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.184 36.858 3.018 1.00 25.00 H new ATOM 0 HB3 HIS A 33 15.890 35.821 1.795 1.00 25.00 H new ATOM 0 HD2 HIS A 33 15.088 33.130 1.889 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.117 33.627 4.808 1.00 25.00 H new ATOM 0 HE2 HIS A 33 13.078 31.984 3.118 1.00 25.00 H new ATOM 480 N GLU A 34 18.316 34.439 2.228 1.00 25.00 N ATOM 481 CA GLU A 34 18.955 33.214 1.747 1.00 25.00 C ATOM 482 C GLU A 34 20.145 32.900 2.636 1.00 25.00 C ATOM 483 O GLU A 34 20.382 31.761 3.000 1.00 25.00 O ATOM 484 CB GLU A 34 19.399 33.390 0.293 1.00 25.00 C ATOM 485 CG GLU A 34 18.683 32.481 -0.701 1.00 25.00 C ATOM 486 CD GLU A 34 19.250 31.061 -0.726 1.00 25.00 C ATOM 487 OE1 GLU A 34 20.439 30.900 -1.078 1.00 25.00 O ATOM 488 OE2 GLU A 34 18.502 30.108 -0.431 1.00 25.00 O ATOM 0 H GLU A 34 18.448 35.249 1.622 1.00 25.00 H new ATOM 0 HA GLU A 34 18.247 32.386 1.787 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.237 34.427 -0.000 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.471 33.205 0.229 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.623 32.439 -0.449 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.756 32.913 -1.699 1.00 25.00 H new ATOM 495 N LEU A 35 20.860 33.930 3.052 1.00 25.00 N ATOM 496 CA LEU A 35 21.994 33.734 3.942 1.00 25.00 C ATOM 497 C LEU A 35 21.526 33.234 5.311 1.00 25.00 C ATOM 498 O LEU A 35 22.238 32.499 5.988 1.00 25.00 O ATOM 499 CB LEU A 35 22.818 35.007 4.003 1.00 25.00 C ATOM 500 CG LEU A 35 22.530 36.182 4.938 1.00 25.00 C ATOM 501 CD1 LEU A 35 22.764 35.919 6.414 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.451 37.276 4.460 1.00 25.00 C ATOM 0 H LEU A 35 20.680 34.900 2.793 1.00 25.00 H new ATOM 0 HA LEU A 35 22.648 32.954 3.553 1.00 25.00 H new ATOM 0 HB2 LEU A 35 23.840 34.695 4.217 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.815 35.417 2.993 1.00 25.00 H new ATOM 0 HG LEU A 35 21.468 36.423 4.889 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.529 36.817 6.985 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.123 35.101 6.744 1.00 25.00 H new ATOM 0 HD13 LEU A 35 23.808 35.649 6.574 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.312 38.164 5.077 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.485 36.940 4.535 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.222 37.516 3.422 1.00 25.00 H new ATOM 514 N SER A 36 20.320 33.630 5.702 1.00 25.00 N ATOM 515 CA SER A 36 19.747 33.251 6.994 1.00 25.00 C ATOM 516 C SER A 36 19.289 31.802 6.998 1.00 25.00 C ATOM 517 O SER A 36 19.545 31.075 7.946 1.00 25.00 O ATOM 518 CB SER A 36 18.571 34.158 7.356 1.00 25.00 C ATOM 519 OG SER A 36 18.127 33.899 8.677 1.00 25.00 O ATOM 0 H SER A 36 19.711 34.221 5.136 1.00 25.00 H new ATOM 0 HA SER A 36 20.534 33.368 7.739 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.869 35.202 7.266 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.753 33.998 6.654 1.00 25.00 H new ATOM 0 HG SER A 36 17.375 34.490 8.891 1.00 25.00 H new ATOM 525 N LEU A 37 18.638 31.359 5.932 1.00 25.00 N ATOM 526 CA LEU A 37 18.204 29.963 5.856 1.00 25.00 C ATOM 527 C LEU A 37 19.399 29.082 5.776 1.00 25.00 C ATOM 528 O LEU A 37 19.401 27.957 6.243 1.00 25.00 O ATOM 529 CB LEU A 37 17.274 29.740 4.680 1.00 25.00 C ATOM 530 CG LEU A 37 17.678 29.741 3.200 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.314 28.438 2.762 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.421 30.002 2.370 1.00 25.00 C ATOM 0 H LEU A 37 18.400 31.929 5.120 1.00 25.00 H new ATOM 0 HA LEU A 37 17.641 29.715 6.756 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.803 28.773 4.856 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.494 30.496 4.773 1.00 25.00 H new ATOM 0 HG LEU A 37 18.428 30.518 3.051 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.578 28.499 1.706 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.213 28.256 3.351 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.609 27.620 2.913 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.679 30.008 1.311 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.690 29.217 2.561 1.00 25.00 H new ATOM 0 HD23 LEU A 37 15.997 30.968 2.646 1.00 25.00 H new ATOM 544 N LEU A 38 20.431 29.606 5.162 1.00 25.00 N ATOM 545 CA LEU A 38 21.648 28.871 5.009 1.00 25.00 C ATOM 546 C LEU A 38 22.324 28.617 6.344 1.00 25.00 C ATOM 547 O LEU A 38 22.690 27.495 6.638 1.00 25.00 O ATOM 548 CB LEU A 38 22.537 29.644 4.070 1.00 25.00 C ATOM 549 CG LEU A 38 23.784 28.876 3.624 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.385 27.713 2.746 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.762 29.768 2.892 1.00 25.00 C ATOM 0 H LEU A 38 20.446 30.544 4.761 1.00 25.00 H new ATOM 0 HA LEU A 38 21.437 27.886 4.593 1.00 25.00 H new ATOM 0 HB2 LEU A 38 21.961 29.925 3.189 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.846 30.569 4.557 1.00 25.00 H new ATOM 0 HG LEU A 38 24.284 28.504 4.519 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.277 27.171 2.432 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.731 27.043 3.304 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.858 28.085 1.867 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.633 29.185 2.593 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.282 30.184 2.006 1.00 25.00 H new ATOM 0 HD23 LEU A 38 25.077 30.579 3.549 1.00 25.00 H new ATOM 563 N LYS A 39 22.434 29.631 7.186 1.00 25.00 N ATOM 564 CA LYS A 39 22.982 29.413 8.538 1.00 25.00 C ATOM 565 C LYS A 39 22.037 28.604 9.419 1.00 25.00 C ATOM 566 O LYS A 39 22.490 27.913 10.320 1.00 25.00 O ATOM 567 CB LYS A 39 23.399 30.723 9.225 1.00 25.00 C ATOM 568 CG LYS A 39 22.322 31.808 9.272 1.00 25.00 C ATOM 569 CD LYS A 39 22.660 32.951 10.218 1.00 25.00 C ATOM 570 CE LYS A 39 23.774 33.833 9.659 1.00 25.00 C ATOM 571 NZ LYS A 39 24.015 35.023 10.544 1.00 25.00 N ATOM 0 H LYS A 39 22.163 30.592 6.978 1.00 25.00 H new ATOM 0 HA LYS A 39 23.888 28.822 8.402 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.708 30.496 10.245 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.272 31.123 8.709 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.175 32.208 8.269 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.377 31.359 9.578 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.770 33.555 10.392 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.965 32.547 11.183 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.692 33.252 9.568 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.508 34.169 8.657 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.777 35.606 10.142 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 23.144 35.588 10.610 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 24.291 34.700 11.493 1.00 25.00 H new ATOM 585 N GLU A 40 20.744 28.656 9.142 1.00 25.00 N ATOM 586 CA GLU A 40 19.770 27.864 9.894 1.00 25.00 C ATOM 587 C GLU A 40 19.874 26.382 9.521 1.00 25.00 C ATOM 588 O GLU A 40 19.937 25.511 10.386 1.00 25.00 O ATOM 589 CB GLU A 40 18.348 28.368 9.593 1.00 25.00 C ATOM 590 CG GLU A 40 17.242 27.651 10.368 1.00 25.00 C ATOM 591 CD GLU A 40 15.848 28.053 9.894 1.00 25.00 C ATOM 592 OE1 GLU A 40 15.122 28.711 10.661 1.00 25.00 O ATOM 593 OE2 GLU A 40 15.458 27.664 8.764 1.00 25.00 O ATOM 0 H GLU A 40 20.340 29.235 8.405 1.00 25.00 H new ATOM 0 HA GLU A 40 19.983 27.974 10.957 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.299 29.433 9.818 1.00 25.00 H new ATOM 0 HB3 GLU A 40 18.156 28.258 8.526 1.00 25.00 H new ATOM 0 HG2 GLU A 40 17.364 26.573 10.258 1.00 25.00 H new ATOM 0 HG3 GLU A 40 17.341 27.876 11.430 1.00 25.00 H new ATOM 600 N ARG A 41 19.826 26.097 8.225 1.00 25.00 N ATOM 601 CA ARG A 41 19.711 24.709 7.746 1.00 25.00 C ATOM 602 C ARG A 41 20.973 24.040 7.235 1.00 25.00 C ATOM 603 O ARG A 41 21.051 22.817 7.176 1.00 25.00 O ATOM 604 CB ARG A 41 18.648 24.674 6.661 1.00 25.00 C ATOM 605 CG ARG A 41 17.337 25.194 7.205 1.00 25.00 C ATOM 606 CD ARG A 41 16.141 24.942 6.340 1.00 25.00 C ATOM 607 NE ARG A 41 14.997 25.548 7.031 1.00 25.00 N ATOM 608 CZ ARG A 41 13.827 24.978 7.271 1.00 25.00 C ATOM 609 NH1 ARG A 41 13.522 23.772 6.851 1.00 25.00 N ATOM 610 NH2 ARG A 41 12.954 25.643 7.970 1.00 25.00 N ATOM 0 H ARG A 41 19.864 26.798 7.485 1.00 25.00 H new ATOM 0 HA ARG A 41 19.455 24.126 8.631 1.00 25.00 H new ATOM 0 HB2 ARG A 41 18.964 25.279 5.811 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.521 23.654 6.297 1.00 25.00 H new ATOM 0 HG2 ARG A 41 17.162 24.740 8.180 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.429 26.268 7.365 1.00 25.00 H new ATOM 0 HD2 ARG A 41 16.276 25.382 5.352 1.00 25.00 H new ATOM 0 HD3 ARG A 41 15.985 23.873 6.194 1.00 25.00 H new ATOM 0 HE ARG A 41 15.116 26.506 7.360 1.00 25.00 H new ATOM 0 HH11 ARG A 41 14.201 23.232 6.314 1.00 25.00 H new ATOM 0 HH12 ARG A 41 12.606 23.375 7.061 1.00 25.00 H new ATOM 0 HH21 ARG A 41 13.181 26.576 8.315 1.00 25.00 H new ATOM 0 HH22 ARG A 41 12.043 25.232 8.172 1.00 25.00 H new ATOM 624 N ASN A 42 21.955 24.834 6.861 1.00 25.00 N ATOM 625 CA ASN A 42 23.244 24.314 6.384 1.00 25.00 C ATOM 626 C ASN A 42 24.437 25.022 7.035 1.00 25.00 C ATOM 627 O ASN A 42 25.221 25.695 6.346 1.00 25.00 O ATOM 628 CB ASN A 42 23.347 24.478 4.868 1.00 25.00 C ATOM 629 CG ASN A 42 24.389 23.579 4.262 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.047 22.817 4.943 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.535 23.655 2.975 1.00 25.00 N ATOM 0 H ASN A 42 21.895 25.852 6.874 1.00 25.00 H new ATOM 0 HA ASN A 42 23.280 23.260 6.661 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.379 24.263 4.416 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.585 25.515 4.633 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.219 23.064 2.504 1.00 25.00 H new ATOM 0 HD22 ASN A 42 23.965 24.306 2.435 1.00 25.00 H new ATOM 638 N PRO A 43 24.610 24.872 8.362 1.00 25.00 N ATOM 639 CA PRO A 43 25.740 25.596 8.959 1.00 25.00 C ATOM 640 C PRO A 43 27.154 25.361 8.375 1.00 25.00 C ATOM 641 O PRO A 43 27.921 26.318 8.322 1.00 25.00 O ATOM 642 CB PRO A 43 25.658 25.217 10.446 1.00 25.00 C ATOM 643 CG PRO A 43 24.853 23.968 10.491 1.00 25.00 C ATOM 644 CD PRO A 43 23.857 24.117 9.381 1.00 25.00 C ATOM 0 HA PRO A 43 25.632 26.658 8.740 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.651 25.060 10.867 1.00 25.00 H new ATOM 0 HB3 PRO A 43 25.187 26.009 11.028 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.479 23.088 10.346 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.357 23.851 11.455 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.525 23.150 9.004 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.967 24.655 9.707 1.00 25.00 H new ATOM 652 N PRO A 44 27.506 24.140 7.880 1.00 25.00 N ATOM 653 CA PRO A 44 28.872 24.131 7.332 1.00 25.00 C ATOM 654 C PRO A 44 29.073 24.969 6.058 1.00 25.00 C ATOM 655 O PRO A 44 30.150 25.522 5.846 1.00 25.00 O ATOM 656 CB PRO A 44 29.117 22.644 7.047 1.00 25.00 C ATOM 657 CG PRO A 44 27.790 22.102 6.774 1.00 25.00 C ATOM 658 CD PRO A 44 26.899 22.797 7.766 1.00 25.00 C ATOM 0 HA PRO A 44 29.569 24.589 8.034 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.784 22.507 6.196 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.581 22.148 7.899 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.480 22.305 5.749 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.766 21.020 6.906 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.868 22.849 7.415 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.883 22.279 8.725 1.00 25.00 H new ATOM 666 N LEU A 45 28.064 25.082 5.199 1.00 25.00 N ATOM 667 CA LEU A 45 28.213 25.933 4.019 1.00 25.00 C ATOM 668 C LEU A 45 28.104 27.381 4.458 1.00 25.00 C ATOM 669 O LEU A 45 28.796 28.257 3.944 1.00 25.00 O ATOM 670 CB LEU A 45 27.173 25.610 2.947 1.00 25.00 C ATOM 671 CG LEU A 45 27.329 26.360 1.604 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.734 26.222 1.002 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.308 25.820 0.601 1.00 25.00 C ATOM 0 H LEU A 45 27.163 24.613 5.290 1.00 25.00 H new ATOM 0 HA LEU A 45 29.188 25.749 3.568 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.206 24.539 2.748 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.184 25.829 3.350 1.00 25.00 H new ATOM 0 HG LEU A 45 27.161 27.417 1.808 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.782 26.769 0.061 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.469 26.629 1.696 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.950 25.169 0.821 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.416 26.347 -0.347 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.479 24.755 0.446 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.301 25.973 0.989 1.00 25.00 H new ATOM 685 N ALA A 46 27.245 27.628 5.432 1.00 25.00 N ATOM 686 CA ALA A 46 27.077 28.976 5.939 1.00 25.00 C ATOM 687 C ALA A 46 28.352 29.548 6.549 1.00 25.00 C ATOM 688 O ALA A 46 28.729 30.645 6.206 1.00 25.00 O ATOM 689 CB ALA A 46 25.984 29.006 6.948 1.00 25.00 C ATOM 0 H ALA A 46 26.661 26.923 5.881 1.00 25.00 H new ATOM 0 HA ALA A 46 26.822 29.603 5.084 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.864 30.022 7.324 1.00 25.00 H new ATOM 0 HB2 ALA A 46 25.053 28.678 6.486 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.233 28.340 7.774 1.00 25.00 H new ATOM 695 N GLU A 47 29.023 28.819 7.436 1.00 25.00 N ATOM 696 CA GLU A 47 30.235 29.344 8.091 1.00 25.00 C ATOM 697 C GLU A 47 31.313 29.678 7.061 1.00 25.00 C ATOM 698 O GLU A 47 32.085 30.619 7.227 1.00 25.00 O ATOM 699 CB GLU A 47 30.789 28.363 9.140 1.00 25.00 C ATOM 700 CG GLU A 47 31.299 27.040 8.578 1.00 25.00 C ATOM 701 CD GLU A 47 31.953 26.173 9.631 1.00 25.00 C ATOM 702 OE1 GLU A 47 31.404 25.098 9.956 1.00 25.00 O ATOM 703 OE2 GLU A 47 33.056 26.547 10.096 1.00 25.00 O ATOM 0 H GLU A 47 28.760 27.875 7.720 1.00 25.00 H new ATOM 0 HA GLU A 47 29.947 30.260 8.607 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.603 28.850 9.677 1.00 25.00 H new ATOM 0 HB3 GLU A 47 30.006 28.153 9.869 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.468 26.496 8.130 1.00 25.00 H new ATOM 0 HG3 GLU A 47 32.016 27.240 7.781 1.00 25.00 H new ATOM 710 N ALA A 48 31.326 28.926 5.975 1.00 25.00 N ATOM 711 CA ALA A 48 32.240 29.147 4.886 1.00 25.00 C ATOM 712 C ALA A 48 31.960 30.489 4.205 1.00 25.00 C ATOM 713 O ALA A 48 32.882 31.217 3.850 1.00 25.00 O ATOM 714 CB ALA A 48 32.118 27.989 3.907 1.00 25.00 C ATOM 0 H ALA A 48 30.693 28.139 5.830 1.00 25.00 H new ATOM 0 HA ALA A 48 33.262 29.190 5.263 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.805 28.142 3.075 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.364 27.056 4.414 1.00 25.00 H new ATOM 0 HB3 ALA A 48 31.097 27.938 3.529 1.00 25.00 H new ATOM 720 N LEU A 49 30.685 30.828 4.079 1.00 25.00 N ATOM 721 CA LEU A 49 30.274 32.116 3.530 1.00 25.00 C ATOM 722 C LEU A 49 30.638 33.243 4.497 1.00 25.00 C ATOM 723 O LEU A 49 31.119 34.293 4.081 1.00 25.00 O ATOM 724 CB LEU A 49 28.753 32.124 3.314 1.00 25.00 C ATOM 725 CG LEU A 49 28.182 33.389 2.662 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.359 33.326 1.159 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.710 33.535 3.026 1.00 25.00 C ATOM 0 H LEU A 49 29.910 30.224 4.352 1.00 25.00 H new ATOM 0 HA LEU A 49 30.788 32.269 2.581 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.488 31.267 2.695 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.266 31.983 4.279 1.00 25.00 H new ATOM 0 HG LEU A 49 28.721 34.260 3.033 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.950 34.229 0.706 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.420 33.249 0.920 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.835 32.454 0.767 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.308 34.435 2.561 1.00 25.00 H new ATOM 0 HD22 LEU A 49 26.159 32.665 2.669 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.609 33.610 4.109 1.00 25.00 H new ATOM 739 N LEU A 50 30.395 33.021 5.785 1.00 25.00 N ATOM 740 CA LEU A 50 30.601 34.061 6.805 1.00 25.00 C ATOM 741 C LEU A 50 32.067 34.444 6.910 1.00 25.00 C ATOM 742 O LEU A 50 32.406 35.573 7.234 1.00 25.00 O ATOM 743 CB LEU A 50 30.142 33.587 8.199 1.00 25.00 C ATOM 744 CG LEU A 50 28.747 32.973 8.385 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.421 32.871 9.859 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.641 33.702 7.632 1.00 25.00 C ATOM 0 H LEU A 50 30.055 32.133 6.154 1.00 25.00 H new ATOM 0 HA LEU A 50 30.007 34.919 6.490 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.868 32.851 8.545 1.00 25.00 H new ATOM 0 HB3 LEU A 50 30.211 34.443 8.870 1.00 25.00 H new ATOM 0 HG LEU A 50 28.787 31.977 7.944 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.430 32.435 9.983 1.00 25.00 H new ATOM 0 HD12 LEU A 50 29.160 32.239 10.352 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.438 33.865 10.305 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.688 33.206 7.816 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.585 34.734 7.977 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.858 33.688 6.564 1.00 25.00 H new ATOM 758 N SER A 51 32.927 33.475 6.646 1.00 25.00 N ATOM 759 CA SER A 51 34.370 33.666 6.725 1.00 25.00 C ATOM 760 C SER A 51 34.886 34.573 5.609 1.00 25.00 C ATOM 761 O SER A 51 35.968 35.131 5.710 1.00 25.00 O ATOM 762 CB SER A 51 35.044 32.304 6.613 1.00 25.00 C ATOM 763 OG SER A 51 36.261 32.235 7.339 1.00 25.00 O ATOM 0 H SER A 51 32.647 32.533 6.371 1.00 25.00 H new ATOM 0 HA SER A 51 34.603 34.144 7.676 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.363 31.535 6.978 1.00 25.00 H new ATOM 0 HB3 SER A 51 35.239 32.085 5.563 1.00 25.00 H new ATOM 0 HG SER A 51 37.016 32.269 6.715 1.00 25.00 H new ATOM 769 N GLY A 52 34.139 34.663 4.514 1.00 25.00 N ATOM 770 CA GLY A 52 34.567 35.450 3.361 1.00 25.00 C ATOM 771 C GLY A 52 35.480 34.660 2.441 1.00 25.00 C ATOM 772 O GLY A 52 35.520 34.883 1.230 1.00 25.00 O ATOM 0 H GLY A 52 33.236 34.202 4.400 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.691 35.783 2.804 1.00 25.00 H new ATOM 0 HA3 GLY A 52 35.085 36.345 3.705 1.00 25.00 H new ATOM 776 N ASP A 53 36.193 33.710 3.030 1.00 25.00 N ATOM 777 CA ASP A 53 37.098 32.809 2.343 1.00 25.00 C ATOM 778 C ASP A 53 36.390 32.015 1.251 1.00 25.00 C ATOM 779 O ASP A 53 35.699 31.031 1.502 1.00 25.00 O ATOM 780 CB ASP A 53 37.669 31.865 3.373 1.00 25.00 C ATOM 781 CG ASP A 53 38.599 32.545 4.336 1.00 25.00 C ATOM 782 OD1 ASP A 53 38.379 32.383 5.558 1.00 25.00 O ATOM 783 OD2 ASP A 53 39.543 33.224 3.892 1.00 25.00 O ATOM 0 H ASP A 53 36.153 33.542 4.035 1.00 25.00 H new ATOM 0 HA ASP A 53 37.883 33.389 1.857 1.00 25.00 H new ATOM 0 HB2 ASP A 53 36.852 31.404 3.928 1.00 25.00 H new ATOM 0 HB3 ASP A 53 38.203 31.061 2.866 1.00 25.00 H new ATOM 788 N LEU A 54 36.573 32.431 0.012 1.00 25.00 N ATOM 789 CA LEU A 54 35.945 31.735 -1.096 1.00 25.00 C ATOM 790 C LEU A 54 36.463 30.311 -1.195 1.00 25.00 C ATOM 791 O LEU A 54 35.723 29.401 -1.539 1.00 25.00 O ATOM 792 CB LEU A 54 36.242 32.449 -2.402 1.00 25.00 C ATOM 793 CG LEU A 54 35.614 31.746 -3.612 1.00 25.00 C ATOM 794 CD1 LEU A 54 34.170 32.149 -3.796 1.00 25.00 C ATOM 795 CD2 LEU A 54 36.461 32.036 -4.788 1.00 25.00 C ATOM 0 H LEU A 54 37.143 33.235 -0.251 1.00 25.00 H new ATOM 0 HA LEU A 54 34.870 31.721 -0.916 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.869 33.472 -2.346 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.321 32.510 -2.541 1.00 25.00 H new ATOM 0 HG LEU A 54 35.583 30.667 -3.461 1.00 25.00 H new ATOM 0 HD11 LEU A 54 33.756 31.633 -4.662 1.00 25.00 H new ATOM 0 HD12 LEU A 54 33.601 31.880 -2.906 1.00 25.00 H new ATOM 0 HD13 LEU A 54 34.110 33.226 -3.953 1.00 25.00 H new ATOM 0 HD21 LEU A 54 36.041 31.549 -5.668 1.00 25.00 H new ATOM 0 HD22 LEU A 54 36.499 33.113 -4.952 1.00 25.00 H new ATOM 0 HD23 LEU A 54 37.469 31.660 -4.612 1.00 25.00 H new ATOM 807 N GLU A 55 37.733 30.112 -0.890 1.00 25.00 N ATOM 808 CA GLU A 55 38.320 28.783 -1.004 1.00 25.00 C ATOM 809 C GLU A 55 37.566 27.774 -0.148 1.00 25.00 C ATOM 810 O GLU A 55 37.397 26.624 -0.536 1.00 25.00 O ATOM 811 CB GLU A 55 39.796 28.800 -0.607 1.00 25.00 C ATOM 812 CG GLU A 55 40.124 29.419 0.754 1.00 25.00 C ATOM 813 CD GLU A 55 41.153 28.585 1.495 1.00 25.00 C ATOM 814 OE1 GLU A 55 42.339 28.634 1.119 1.00 25.00 O ATOM 815 OE2 GLU A 55 40.748 27.771 2.365 1.00 25.00 O ATOM 0 H GLU A 55 38.371 30.839 -0.566 1.00 25.00 H new ATOM 0 HA GLU A 55 38.241 28.481 -2.048 1.00 25.00 H new ATOM 0 HB2 GLU A 55 40.164 27.774 -0.614 1.00 25.00 H new ATOM 0 HB3 GLU A 55 40.350 29.343 -1.373 1.00 25.00 H new ATOM 0 HG2 GLU A 55 40.502 30.432 0.616 1.00 25.00 H new ATOM 0 HG3 GLU A 55 39.215 29.497 1.351 1.00 25.00 H new ATOM 822 N LYS A 56 37.081 28.219 0.998 1.00 25.00 N ATOM 823 CA LYS A 56 36.311 27.334 1.881 1.00 25.00 C ATOM 824 C LYS A 56 34.872 27.279 1.436 1.00 25.00 C ATOM 825 O LYS A 56 34.275 26.220 1.452 1.00 25.00 O ATOM 826 CB LYS A 56 36.477 27.648 3.387 1.00 25.00 C ATOM 827 CG LYS A 56 35.866 28.866 3.932 1.00 25.00 C ATOM 828 CD LYS A 56 36.404 29.166 5.354 1.00 25.00 C ATOM 829 CE LYS A 56 35.693 28.400 6.476 1.00 25.00 C ATOM 830 NZ LYS A 56 36.084 28.965 7.821 1.00 25.00 N ATOM 0 H LYS A 56 37.199 29.172 1.343 1.00 25.00 H new ATOM 0 HA LYS A 56 36.731 26.333 1.781 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.078 26.801 3.945 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.545 27.693 3.598 1.00 25.00 H new ATOM 0 HG2 LYS A 56 36.076 29.709 3.274 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.783 28.751 3.966 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.467 28.927 5.385 1.00 25.00 H new ATOM 0 HD3 LYS A 56 36.312 30.235 5.546 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.613 28.468 6.345 1.00 25.00 H new ATOM 0 HE3 LYS A 56 35.955 27.343 6.427 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.357 28.722 8.524 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 36.997 28.563 8.114 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 36.167 29.999 7.752 1.00 25.00 H new ATOM 844 N PHE A 57 34.333 28.391 0.966 1.00 25.00 N ATOM 845 CA PHE A 57 32.968 28.395 0.447 1.00 25.00 C ATOM 846 C PHE A 57 32.832 27.400 -0.698 1.00 25.00 C ATOM 847 O PHE A 57 31.944 26.570 -0.684 1.00 25.00 O ATOM 848 CB PHE A 57 32.551 29.793 -0.004 1.00 25.00 C ATOM 849 CG PHE A 57 31.141 29.855 -0.508 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.880 29.949 -1.888 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.060 29.799 0.391 1.00 25.00 C ATOM 852 CE1 PHE A 57 29.551 29.978 -2.366 1.00 25.00 C ATOM 853 CE2 PHE A 57 28.727 29.832 -0.079 1.00 25.00 C ATOM 854 CZ PHE A 57 28.475 29.922 -1.463 1.00 25.00 C ATOM 0 H PHE A 57 34.808 29.293 0.931 1.00 25.00 H new ATOM 0 HA PHE A 57 32.300 28.092 1.254 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.662 30.485 0.831 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.226 30.130 -0.790 1.00 25.00 H new ATOM 0 HD1 PHE A 57 31.702 29.999 -2.587 1.00 25.00 H new ATOM 0 HD2 PHE A 57 30.251 29.730 1.452 1.00 25.00 H new ATOM 0 HE1 PHE A 57 29.361 30.043 -3.427 1.00 25.00 H new ATOM 0 HE2 PHE A 57 27.905 29.788 0.620 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.459 29.948 -1.828 1.00 25.00 H new ATOM 864 N SER A 58 33.752 27.443 -1.649 1.00 25.00 N ATOM 865 CA SER A 58 33.760 26.520 -2.782 1.00 25.00 C ATOM 866 C SER A 58 34.008 25.081 -2.351 1.00 25.00 C ATOM 867 O SER A 58 33.366 24.154 -2.844 1.00 25.00 O ATOM 868 CB SER A 58 34.857 26.938 -3.763 1.00 25.00 C ATOM 869 OG SER A 58 34.871 26.092 -4.897 1.00 25.00 O ATOM 0 H SER A 58 34.517 28.118 -1.660 1.00 25.00 H new ATOM 0 HA SER A 58 32.777 26.565 -3.251 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.696 27.970 -4.076 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.827 26.903 -3.267 1.00 25.00 H new ATOM 0 HG SER A 58 35.579 26.379 -5.511 1.00 25.00 H new ATOM 875 N ARG A 59 34.919 24.893 -1.408 1.00 25.00 N ATOM 876 CA ARG A 59 35.239 23.556 -0.908 1.00 25.00 C ATOM 877 C ARG A 59 34.011 22.911 -0.298 1.00 25.00 C ATOM 878 O ARG A 59 33.709 21.765 -0.567 1.00 25.00 O ATOM 879 CB ARG A 59 36.348 23.661 0.136 1.00 25.00 C ATOM 880 CG ARG A 59 36.842 22.342 0.698 1.00 25.00 C ATOM 881 CD ARG A 59 37.816 22.615 1.836 1.00 25.00 C ATOM 882 NE ARG A 59 38.976 23.406 1.366 1.00 25.00 N ATOM 883 CZ ARG A 59 39.465 24.502 1.947 1.00 25.00 C ATOM 884 NH1 ARG A 59 38.992 24.992 3.063 1.00 25.00 N ATOM 885 NH2 ARG A 59 40.455 25.128 1.381 1.00 25.00 N ATOM 0 H ARG A 59 35.451 25.646 -0.971 1.00 25.00 H new ATOM 0 HA ARG A 59 35.576 22.935 -1.738 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.193 24.186 -0.309 1.00 25.00 H new ATOM 0 HB3 ARG A 59 35.989 24.276 0.961 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.001 21.749 1.058 1.00 25.00 H new ATOM 0 HG3 ARG A 59 37.331 21.761 -0.084 1.00 25.00 H new ATOM 0 HD2 ARG A 59 37.305 23.152 2.635 1.00 25.00 H new ATOM 0 HD3 ARG A 59 38.162 21.671 2.257 1.00 25.00 H new ATOM 0 HE ARG A 59 39.444 23.083 0.520 1.00 25.00 H new ATOM 0 HH11 ARG A 59 38.211 24.532 3.532 1.00 25.00 H new ATOM 0 HH12 ARG A 59 39.404 25.834 3.465 1.00 25.00 H new ATOM 0 HH21 ARG A 59 40.846 24.779 0.506 1.00 25.00 H new ATOM 0 HH22 ARG A 59 40.841 25.968 1.812 1.00 25.00 H new ATOM 899 N VAL A 60 33.285 23.652 0.515 1.00 25.00 N ATOM 900 CA VAL A 60 32.090 23.102 1.131 1.00 25.00 C ATOM 901 C VAL A 60 30.981 23.002 0.082 1.00 25.00 C ATOM 902 O VAL A 60 30.179 22.082 0.119 1.00 25.00 O ATOM 903 CB VAL A 60 31.640 23.923 2.365 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.455 23.241 3.036 1.00 25.00 C ATOM 905 CG2 VAL A 60 32.793 24.029 3.386 1.00 25.00 C ATOM 0 H VAL A 60 33.494 24.619 0.763 1.00 25.00 H new ATOM 0 HA VAL A 60 32.318 22.103 1.502 1.00 25.00 H new ATOM 0 HB VAL A 60 31.355 24.920 2.030 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.143 23.823 3.903 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.628 23.171 2.330 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.745 22.240 3.356 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.463 24.608 4.248 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.085 23.030 3.710 1.00 25.00 H new ATOM 0 HG23 VAL A 60 33.646 24.523 2.921 1.00 25.00 H new ATOM 915 N LEU A 61 30.945 23.928 -0.868 1.00 25.00 N ATOM 916 CA LEU A 61 29.928 23.905 -1.921 1.00 25.00 C ATOM 917 C LEU A 61 29.958 22.589 -2.690 1.00 25.00 C ATOM 918 O LEU A 61 28.917 21.989 -2.911 1.00 25.00 O ATOM 919 CB LEU A 61 30.125 25.068 -2.905 1.00 25.00 C ATOM 920 CG LEU A 61 28.919 25.377 -3.802 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.157 26.544 -3.204 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.334 25.742 -5.220 1.00 25.00 C ATOM 0 H LEU A 61 31.604 24.703 -0.934 1.00 25.00 H new ATOM 0 HA LEU A 61 28.960 24.009 -1.432 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.374 25.965 -2.338 1.00 25.00 H new ATOM 0 HB3 LEU A 61 30.982 24.844 -3.540 1.00 25.00 H new ATOM 0 HG LEU A 61 28.302 24.480 -3.854 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.296 26.776 -3.831 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.816 26.281 -2.202 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.810 27.415 -3.148 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.446 25.952 -5.816 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.972 26.625 -5.196 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.881 24.911 -5.664 1.00 25.00 H new ATOM 934 N VAL A 62 31.137 22.128 -3.089 1.00 25.00 N ATOM 935 CA VAL A 62 31.225 20.878 -3.851 1.00 25.00 C ATOM 936 C VAL A 62 30.888 19.672 -2.965 1.00 25.00 C ATOM 937 O VAL A 62 30.206 18.753 -3.406 1.00 25.00 O ATOM 938 CB VAL A 62 32.610 20.717 -4.576 1.00 25.00 C ATOM 939 CG1 VAL A 62 33.776 20.565 -3.596 1.00 25.00 C ATOM 940 CG2 VAL A 62 32.574 19.531 -5.538 1.00 25.00 C ATOM 0 H VAL A 62 32.030 22.585 -2.905 1.00 25.00 H new ATOM 0 HA VAL A 62 30.477 20.923 -4.642 1.00 25.00 H new ATOM 0 HB VAL A 62 32.780 21.636 -5.137 1.00 25.00 H new ATOM 0 HG11 VAL A 62 34.707 20.457 -4.152 1.00 25.00 H new ATOM 0 HG12 VAL A 62 33.834 21.448 -2.959 1.00 25.00 H new ATOM 0 HG13 VAL A 62 33.619 19.681 -2.978 1.00 25.00 H new ATOM 0 HG21 VAL A 62 33.541 19.434 -6.032 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.357 18.619 -4.983 1.00 25.00 H new ATOM 0 HG23 VAL A 62 31.799 19.693 -6.287 1.00 25.00 H new ATOM 950 N GLU A 63 31.279 19.707 -1.702 1.00 25.00 N ATOM 951 CA GLU A 63 30.934 18.629 -0.764 1.00 25.00 C ATOM 952 C GLU A 63 29.412 18.551 -0.595 1.00 25.00 C ATOM 953 O GLU A 63 28.813 17.475 -0.636 1.00 25.00 O ATOM 954 CB GLU A 63 31.603 18.869 0.597 1.00 25.00 C ATOM 955 CG GLU A 63 33.123 18.677 0.580 1.00 25.00 C ATOM 956 CD GLU A 63 33.512 17.261 0.199 1.00 25.00 C ATOM 957 OE1 GLU A 63 34.193 17.087 -0.836 1.00 25.00 O ATOM 958 OE2 GLU A 63 33.110 16.319 0.912 1.00 25.00 O ATOM 0 H GLU A 63 31.832 20.461 -1.296 1.00 25.00 H new ATOM 0 HA GLU A 63 31.297 17.684 -1.168 1.00 25.00 H new ATOM 0 HB2 GLU A 63 31.378 19.883 0.929 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.168 18.190 1.330 1.00 25.00 H new ATOM 0 HG2 GLU A 63 33.569 19.378 -0.125 1.00 25.00 H new ATOM 0 HG3 GLU A 63 33.529 18.913 1.564 1.00 25.00 H new