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 -110:sc= 0 USER MOD Set 1.2: A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -138:sc= 0 (180deg=-0.109) USER MOD Single : A 31 ASN : amide:sc= -1.17 K(o=-1.2,f=-6.2!) 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= -0.147 K(o=-0.15,f=-5.3!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0942 USER MOD ----------------------------------------------------------------- ATOM 272 N PRO A 21 30.384 28.754 -7.421 1.00 25.00 N ATOM 273 CA PRO A 21 30.506 29.237 -6.039 1.00 25.00 C ATOM 274 C PRO A 21 30.824 30.721 -5.951 1.00 25.00 C ATOM 275 O PRO A 21 30.381 31.403 -5.038 1.00 25.00 O ATOM 276 CB PRO A 21 31.679 28.414 -5.487 1.00 25.00 C ATOM 277 CG PRO A 21 32.414 27.964 -6.694 1.00 25.00 C ATOM 278 CD PRO A 21 31.379 27.709 -7.714 1.00 25.00 C ATOM 0 HA PRO A 21 29.572 29.120 -5.490 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.314 29.015 -4.836 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.328 27.567 -4.897 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.118 28.725 -7.031 1.00 25.00 H new ATOM 0 HG3 PRO A 21 32.992 27.063 -6.488 1.00 25.00 H new ATOM 0 HD2 PRO A 21 31.775 27.797 -8.726 1.00 25.00 H new ATOM 0 HD3 PRO A 21 30.956 26.708 -7.623 1.00 25.00 H new ATOM 286 N ALA A 22 31.583 31.229 -6.911 1.00 25.00 N ATOM 287 CA ALA A 22 31.963 32.633 -6.912 1.00 25.00 C ATOM 288 C ALA A 22 30.739 33.548 -7.015 1.00 25.00 C ATOM 289 O ALA A 22 30.681 34.578 -6.347 1.00 25.00 O ATOM 290 CB ALA A 22 32.935 32.907 -8.062 1.00 25.00 C ATOM 0 H ALA A 22 31.947 30.691 -7.697 1.00 25.00 H new ATOM 0 HA ALA A 22 32.456 32.852 -5.965 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.216 33.960 -8.058 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.827 32.293 -7.939 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.455 32.663 -9.010 1.00 25.00 H new ATOM 296 N LEU A 23 29.779 33.171 -7.849 1.00 25.00 N ATOM 297 CA LEU A 23 28.581 33.984 -8.050 1.00 25.00 C ATOM 298 C LEU A 23 27.615 33.800 -6.891 1.00 25.00 C ATOM 299 O LEU A 23 27.009 34.754 -6.416 1.00 25.00 O ATOM 300 CB LEU A 23 27.865 33.602 -9.356 1.00 25.00 C ATOM 301 CG LEU A 23 28.677 33.644 -10.665 1.00 25.00 C ATOM 302 CD1 LEU A 23 27.760 33.266 -11.829 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.313 34.995 -10.947 1.00 25.00 C ATOM 0 H LEU A 23 29.803 32.311 -8.397 1.00 25.00 H new ATOM 0 HA LEU A 23 28.898 35.025 -8.107 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.473 32.592 -9.239 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.008 34.265 -9.473 1.00 25.00 H new ATOM 0 HG LEU A 23 29.496 32.933 -10.553 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.325 33.293 -12.761 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.367 32.262 -11.671 1.00 25.00 H new ATOM 0 HD13 LEU A 23 26.933 33.974 -11.886 1.00 25.00 H new ATOM 0 HD21 LEU A 23 29.868 34.948 -11.884 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.535 35.754 -11.024 1.00 25.00 H new ATOM 0 HD23 LEU A 23 29.993 35.253 -10.135 1.00 25.00 H new ATOM 315 N LEU A 24 27.477 32.564 -6.427 1.00 25.00 N ATOM 316 CA LEU A 24 26.544 32.276 -5.347 1.00 25.00 C ATOM 317 C LEU A 24 26.969 32.956 -4.056 1.00 25.00 C ATOM 318 O LEU A 24 26.141 33.524 -3.360 1.00 25.00 O ATOM 319 CB LEU A 24 26.430 30.769 -5.127 1.00 25.00 C ATOM 320 CG LEU A 24 25.406 30.366 -4.050 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.006 30.922 -4.328 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.347 28.863 -3.935 1.00 25.00 C ATOM 0 H LEU A 24 27.992 31.756 -6.776 1.00 25.00 H new ATOM 0 HA LEU A 24 25.570 32.669 -5.637 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.156 30.295 -6.069 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.408 30.379 -4.847 1.00 25.00 H new ATOM 0 HG LEU A 24 25.743 30.801 -3.109 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.326 30.607 -3.537 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.046 32.011 -4.359 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.648 30.545 -5.286 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.621 28.585 -3.171 1.00 25.00 H new ATOM 0 HD22 LEU A 24 25.048 28.436 -4.892 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.329 28.480 -3.658 1.00 25.00 H new ATOM 334 N ARG A 25 28.266 32.950 -3.769 1.00 25.00 N ATOM 335 CA ARG A 25 28.792 33.642 -2.594 1.00 25.00 C ATOM 336 C ARG A 25 28.387 35.103 -2.661 1.00 25.00 C ATOM 337 O ARG A 25 27.956 35.677 -1.674 1.00 25.00 O ATOM 338 CB ARG A 25 30.320 33.516 -2.582 1.00 25.00 C ATOM 339 CG ARG A 25 31.059 34.472 -1.629 1.00 25.00 C ATOM 340 CD ARG A 25 32.456 34.798 -2.163 1.00 25.00 C ATOM 341 NE ARG A 25 32.406 35.365 -3.524 1.00 25.00 N ATOM 342 CZ ARG A 25 32.136 36.640 -3.836 1.00 25.00 C ATOM 343 NH1 ARG A 25 31.909 37.554 -2.922 1.00 25.00 N ATOM 344 NH2 ARG A 25 32.054 36.985 -5.081 1.00 25.00 N ATOM 0 H ARG A 25 28.972 32.475 -4.331 1.00 25.00 H new ATOM 0 HA ARG A 25 28.391 33.200 -1.682 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.580 32.492 -2.314 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.688 33.684 -3.594 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.486 35.392 -1.512 1.00 25.00 H new ATOM 0 HG3 ARG A 25 31.139 34.018 -0.641 1.00 25.00 H new ATOM 0 HD2 ARG A 25 32.945 35.505 -1.493 1.00 25.00 H new ATOM 0 HD3 ARG A 25 33.063 33.893 -2.169 1.00 25.00 H new ATOM 0 HE ARG A 25 32.594 34.728 -4.298 1.00 25.00 H new ATOM 0 HH11 ARG A 25 31.935 37.304 -1.933 1.00 25.00 H new ATOM 0 HH12 ARG A 25 31.707 38.514 -3.200 1.00 25.00 H new ATOM 0 HH21 ARG A 25 32.194 36.289 -5.813 1.00 25.00 H new ATOM 0 HH22 ARG A 25 31.849 37.953 -5.330 1.00 25.00 H new ATOM 358 N ASP A 26 28.539 35.704 -3.829 1.00 25.00 N ATOM 359 CA ASP A 26 28.246 37.122 -4.004 1.00 25.00 C ATOM 360 C ASP A 26 26.771 37.430 -3.739 1.00 25.00 C ATOM 361 O ASP A 26 26.437 38.380 -3.035 1.00 25.00 O ATOM 362 CB ASP A 26 28.618 37.535 -5.426 1.00 25.00 C ATOM 363 CG ASP A 26 29.117 38.959 -5.501 1.00 25.00 C ATOM 364 OD1 ASP A 26 28.483 39.788 -6.181 1.00 25.00 O ATOM 365 OD2 ASP A 26 30.198 39.233 -4.923 1.00 25.00 O ATOM 0 H ASP A 26 28.864 35.233 -4.674 1.00 25.00 H new ATOM 0 HA ASP A 26 28.834 37.688 -3.282 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.387 36.863 -5.807 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.748 37.423 -6.073 1.00 25.00 H new ATOM 370 N MET A 27 25.897 36.580 -4.261 1.00 25.00 N ATOM 371 CA MET A 27 24.454 36.725 -4.063 1.00 25.00 C ATOM 372 C MET A 27 24.087 36.579 -2.600 1.00 25.00 C ATOM 373 O MET A 27 23.365 37.394 -2.049 1.00 25.00 O ATOM 374 CB MET A 27 23.727 35.642 -4.860 1.00 25.00 C ATOM 375 CG MET A 27 22.220 35.837 -5.003 1.00 25.00 C ATOM 376 SD MET A 27 21.223 35.411 -3.545 1.00 25.00 S ATOM 377 CE MET A 27 21.388 33.599 -3.480 1.00 25.00 C ATOM 0 H MET A 27 26.161 35.776 -4.830 1.00 25.00 H new ATOM 0 HA MET A 27 24.159 37.718 -4.402 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.166 35.591 -5.856 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.908 34.679 -4.382 1.00 25.00 H new ATOM 0 HG2 MET A 27 22.031 36.880 -5.257 1.00 25.00 H new ATOM 0 HG3 MET A 27 21.874 35.236 -5.844 1.00 25.00 H new ATOM 0 HE1 MET A 27 20.421 33.154 -3.245 1.00 25.00 H new ATOM 0 HE2 MET A 27 21.732 33.230 -4.446 1.00 25.00 H new ATOM 0 HE3 MET A 27 22.109 33.327 -2.710 1.00 25.00 H new ATOM 387 N LEU A 28 24.586 35.521 -1.984 1.00 25.00 N ATOM 388 CA LEU A 28 24.283 35.207 -0.591 1.00 25.00 C ATOM 389 C LEU A 28 24.746 36.298 0.360 1.00 25.00 C ATOM 390 O LEU A 28 24.034 36.662 1.285 1.00 25.00 O ATOM 391 CB LEU A 28 24.957 33.912 -0.198 1.00 25.00 C ATOM 392 CG LEU A 28 24.342 32.630 -0.754 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.286 31.524 -0.434 1.00 25.00 C ATOM 394 CD2 LEU A 28 22.982 32.353 -0.153 1.00 25.00 C ATOM 0 H LEU A 28 25.213 34.853 -2.432 1.00 25.00 H new ATOM 0 HA LEU A 28 23.199 35.120 -0.514 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.998 33.958 -0.518 1.00 25.00 H new ATOM 0 HB3 LEU A 28 24.960 33.845 0.890 1.00 25.00 H new ATOM 0 HG LEU A 28 24.190 32.725 -1.829 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.887 30.584 -0.814 1.00 25.00 H new ATOM 0 HD12 LEU A 28 26.251 31.723 -0.900 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.412 31.455 0.646 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.579 31.432 -0.575 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.077 32.246 0.928 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.309 33.181 -0.378 1.00 25.00 H new ATOM 406 N LEU A 29 25.933 36.838 0.117 1.00 25.00 N ATOM 407 CA LEU A 29 26.462 37.926 0.949 1.00 25.00 C ATOM 408 C LEU A 29 25.566 39.150 0.827 1.00 25.00 C ATOM 409 O LEU A 29 25.386 39.905 1.778 1.00 25.00 O ATOM 410 CB LEU A 29 27.884 38.305 0.517 1.00 25.00 C ATOM 411 CG LEU A 29 29.009 37.347 0.937 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.283 37.699 0.175 1.00 25.00 C ATOM 413 CD2 LEU A 29 29.271 37.400 2.443 1.00 25.00 C ATOM 0 H LEU A 29 26.549 36.547 -0.642 1.00 25.00 H new ATOM 0 HA LEU A 29 26.486 37.580 1.983 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.898 38.392 -0.569 1.00 25.00 H new ATOM 0 HB3 LEU A 29 28.110 39.293 0.919 1.00 25.00 H new ATOM 0 HG LEU A 29 28.696 36.331 0.695 1.00 25.00 H new ATOM 0 HD11 LEU A 29 31.083 37.021 0.471 1.00 25.00 H new ATOM 0 HD12 LEU A 29 30.104 37.604 -0.896 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.573 38.724 0.405 1.00 25.00 H new ATOM 0 HD21 LEU A 29 30.074 36.708 2.697 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.561 38.412 2.726 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.365 37.118 2.980 1.00 25.00 H new ATOM 425 N ALA A 30 24.992 39.333 -0.351 1.00 25.00 N ATOM 426 CA ALA A 30 24.101 40.450 -0.608 1.00 25.00 C ATOM 427 C ALA A 30 22.648 40.148 -0.203 1.00 25.00 C ATOM 428 O ALA A 30 21.787 41.022 -0.323 1.00 25.00 O ATOM 429 CB ALA A 30 24.170 40.819 -2.095 1.00 25.00 C ATOM 0 H ALA A 30 25.130 38.715 -1.151 1.00 25.00 H new ATOM 0 HA ALA A 30 24.432 41.289 0.004 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.502 41.658 -2.293 1.00 25.00 H new ATOM 0 HB2 ALA A 30 25.191 41.099 -2.353 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.865 39.963 -2.697 1.00 25.00 H new ATOM 435 N ASN A 31 22.352 38.928 0.240 1.00 25.00 N ATOM 436 CA ASN A 31 20.972 38.551 0.555 1.00 25.00 C ATOM 437 C ASN A 31 20.797 38.064 1.999 1.00 25.00 C ATOM 438 O ASN A 31 21.054 36.904 2.313 1.00 25.00 O ATOM 439 CB ASN A 31 20.516 37.458 -0.406 1.00 25.00 C ATOM 440 CG ASN A 31 19.022 37.303 -0.425 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.353 37.415 0.603 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.483 37.062 -1.585 1.00 25.00 N ATOM 0 H ASN A 31 23.039 38.189 0.388 1.00 25.00 H new ATOM 0 HA ASN A 31 20.362 39.447 0.444 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.868 37.691 -1.411 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.974 36.511 -0.120 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.471 36.959 -1.666 1.00 25.00 H new ATOM 0 HD22 ASN A 31 19.072 36.976 -2.413 1.00 25.00 H new ATOM 449 N PRO A 32 20.306 38.941 2.895 1.00 25.00 N ATOM 450 CA PRO A 32 20.198 38.513 4.295 1.00 25.00 C ATOM 451 C PRO A 32 19.182 37.399 4.573 1.00 25.00 C ATOM 452 O PRO A 32 19.322 36.673 5.545 1.00 25.00 O ATOM 453 CB PRO A 32 19.810 39.807 5.016 1.00 25.00 C ATOM 454 CG PRO A 32 19.099 40.602 3.978 1.00 25.00 C ATOM 455 CD PRO A 32 19.873 40.341 2.727 1.00 25.00 C ATOM 0 HA PRO A 32 21.131 38.059 4.629 1.00 25.00 H new ATOM 0 HB2 PRO A 32 19.168 39.608 5.874 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.688 40.334 5.390 1.00 25.00 H new ATOM 0 HG2 PRO A 32 18.060 40.288 3.877 1.00 25.00 H new ATOM 0 HG3 PRO A 32 19.088 41.663 4.226 1.00 25.00 H new ATOM 0 HD2 PRO A 32 19.258 40.470 1.837 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.722 41.018 2.628 1.00 25.00 H new ATOM 463 N HIS A 33 18.170 37.245 3.734 1.00 25.00 N ATOM 464 CA HIS A 33 17.185 36.179 3.931 1.00 25.00 C ATOM 465 C HIS A 33 17.757 34.827 3.508 1.00 25.00 C ATOM 466 O HIS A 33 17.525 33.800 4.139 1.00 25.00 O ATOM 467 CB HIS A 33 15.933 36.471 3.106 1.00 25.00 C ATOM 468 CG HIS A 33 14.860 35.436 3.260 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.984 35.383 4.315 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.528 34.376 2.470 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.179 34.341 4.134 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.461 33.695 3.022 1.00 25.00 N ATOM 0 H HIS A 33 18.005 37.834 2.918 1.00 25.00 H new ATOM 0 HA HIS A 33 16.932 36.141 4.991 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.534 37.443 3.398 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.209 36.543 2.054 1.00 25.00 H new ATOM 0 HD2 HIS A 33 15.025 34.109 1.549 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.390 34.059 4.816 1.00 25.00 H new ATOM 0 HE2 HIS A 33 12.992 32.869 2.649 1.00 25.00 H new ATOM 480 N GLU A 34 18.500 34.849 2.418 1.00 25.00 N ATOM 481 CA GLU A 34 19.035 33.631 1.811 1.00 25.00 C ATOM 482 C GLU A 34 20.200 33.142 2.649 1.00 25.00 C ATOM 483 O GLU A 34 20.401 31.954 2.831 1.00 25.00 O ATOM 484 CB GLU A 34 19.491 33.954 0.392 1.00 25.00 C ATOM 485 CG GLU A 34 18.448 33.693 -0.688 1.00 25.00 C ATOM 486 CD GLU A 34 18.321 32.219 -1.044 1.00 25.00 C ATOM 487 OE1 GLU A 34 19.352 31.581 -1.339 1.00 25.00 O ATOM 488 OE2 GLU A 34 17.182 31.717 -1.084 1.00 25.00 O ATOM 0 H GLU A 34 18.753 35.705 1.925 1.00 25.00 H new ATOM 0 HA GLU A 34 18.276 32.850 1.771 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.784 35.003 0.349 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.381 33.365 0.168 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.481 34.065 -0.349 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.710 34.257 -1.583 1.00 25.00 H new ATOM 495 N LEU A 35 20.933 34.071 3.229 1.00 25.00 N ATOM 496 CA LEU A 35 22.009 33.713 4.134 1.00 25.00 C ATOM 497 C LEU A 35 21.416 33.176 5.447 1.00 25.00 C ATOM 498 O LEU A 35 22.025 32.345 6.119 1.00 25.00 O ATOM 499 CB LEU A 35 22.947 34.903 4.310 1.00 25.00 C ATOM 500 CG LEU A 35 22.790 35.932 5.434 1.00 25.00 C ATOM 501 CD1 LEU A 35 23.067 35.423 6.842 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.768 37.028 5.085 1.00 25.00 C ATOM 0 H LEU A 35 20.805 35.074 3.092 1.00 25.00 H new ATOM 0 HA LEU A 35 22.618 32.908 3.723 1.00 25.00 H new ATOM 0 HB2 LEU A 35 23.952 34.493 4.405 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.917 35.461 3.374 1.00 25.00 H new ATOM 0 HG LEU A 35 21.747 36.245 5.479 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.926 36.234 7.556 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.381 34.609 7.076 1.00 25.00 H new ATOM 0 HD13 LEU A 35 24.093 35.061 6.903 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.722 37.811 5.842 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.777 36.617 5.049 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.512 37.448 4.112 1.00 25.00 H new ATOM 514 N SER A 36 20.224 33.642 5.808 1.00 25.00 N ATOM 515 CA SER A 36 19.576 33.214 7.052 1.00 25.00 C ATOM 516 C SER A 36 19.087 31.778 6.952 1.00 25.00 C ATOM 517 O SER A 36 19.301 30.989 7.854 1.00 25.00 O ATOM 518 CB SER A 36 18.405 34.130 7.416 1.00 25.00 C ATOM 519 OG SER A 36 17.959 33.880 8.742 1.00 25.00 O ATOM 0 H SER A 36 19.685 34.314 5.261 1.00 25.00 H new ATOM 0 HA SER A 36 20.327 33.277 7.840 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.710 35.172 7.321 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.584 33.973 6.716 1.00 25.00 H new ATOM 0 HG SER A 36 17.212 34.477 8.954 1.00 25.00 H new ATOM 525 N LEU A 37 18.478 31.403 5.839 1.00 25.00 N ATOM 526 CA LEU A 37 18.040 30.014 5.678 1.00 25.00 C ATOM 527 C LEU A 37 19.226 29.113 5.606 1.00 25.00 C ATOM 528 O LEU A 37 19.173 27.951 5.953 1.00 25.00 O ATOM 529 CB LEU A 37 17.160 29.841 4.460 1.00 25.00 C ATOM 530 CG LEU A 37 17.642 30.031 3.018 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.264 28.770 2.455 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.450 30.440 2.159 1.00 25.00 C ATOM 0 H LEU A 37 18.277 32.017 5.050 1.00 25.00 H new ATOM 0 HA LEU A 37 17.441 29.746 6.548 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.760 28.829 4.516 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.320 30.524 4.592 1.00 25.00 H new ATOM 0 HG LEU A 37 18.411 30.803 3.011 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.591 28.951 1.431 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.121 28.484 3.064 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.528 27.966 2.464 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.775 30.580 1.128 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.689 29.660 2.197 1.00 25.00 H new ATOM 0 HD23 LEU A 37 16.032 31.373 2.537 1.00 25.00 H new ATOM 544 N LEU A 38 20.308 29.657 5.103 1.00 25.00 N ATOM 545 CA LEU A 38 21.513 28.898 4.946 1.00 25.00 C ATOM 546 C LEU A 38 22.163 28.569 6.284 1.00 25.00 C ATOM 547 O LEU A 38 22.505 27.426 6.530 1.00 25.00 O ATOM 548 CB LEU A 38 22.422 29.692 4.048 1.00 25.00 C ATOM 549 CG LEU A 38 23.680 28.961 3.581 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.325 27.792 2.686 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.597 29.921 2.854 1.00 25.00 C ATOM 0 H LEU A 38 20.373 30.627 4.796 1.00 25.00 H new ATOM 0 HA LEU A 38 21.295 27.929 4.496 1.00 25.00 H new ATOM 0 HB2 LEU A 38 21.856 30.004 3.170 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.722 30.599 4.573 1.00 25.00 H new ATOM 0 HG LEU A 38 24.197 28.571 4.458 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.237 27.288 2.367 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.696 27.091 3.235 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.786 28.154 1.811 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.491 29.391 2.525 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.079 30.333 1.988 1.00 25.00 H new ATOM 0 HD23 LEU A 38 24.882 30.731 3.525 1.00 25.00 H new ATOM 563 N LYS A 39 22.269 29.542 7.178 1.00 25.00 N ATOM 564 CA LYS A 39 22.784 29.267 8.536 1.00 25.00 C ATOM 565 C LYS A 39 21.819 28.373 9.320 1.00 25.00 C ATOM 566 O LYS A 39 22.251 27.626 10.197 1.00 25.00 O ATOM 567 CB LYS A 39 23.122 30.553 9.324 1.00 25.00 C ATOM 568 CG LYS A 39 21.942 31.518 9.480 1.00 25.00 C ATOM 569 CD LYS A 39 21.858 32.269 10.806 1.00 25.00 C ATOM 570 CE LYS A 39 22.766 33.491 10.875 1.00 25.00 C ATOM 571 NZ LYS A 39 22.392 34.318 12.096 1.00 25.00 N ATOM 0 H LYS A 39 22.014 30.514 7.005 1.00 25.00 H new ATOM 0 HA LYS A 39 23.724 28.730 8.409 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.484 30.275 10.314 1.00 25.00 H new ATOM 0 HB3 LYS A 39 23.938 31.072 8.820 1.00 25.00 H new ATOM 0 HG2 LYS A 39 21.989 32.250 8.674 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.018 30.955 9.346 1.00 25.00 H new ATOM 0 HD2 LYS A 39 20.827 32.583 10.971 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.117 31.588 11.617 1.00 25.00 H new ATOM 0 HE2 LYS A 39 23.809 33.182 10.935 1.00 25.00 H new ATOM 0 HE3 LYS A 39 22.662 34.089 9.969 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 23.007 35.155 12.150 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 21.400 34.622 12.019 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 22.512 33.743 12.955 1.00 25.00 H new ATOM 585 N GLU A 40 20.539 28.409 8.978 1.00 25.00 N ATOM 586 CA GLU A 40 19.570 27.512 9.601 1.00 25.00 C ATOM 587 C GLU A 40 19.723 26.082 9.095 1.00 25.00 C ATOM 588 O GLU A 40 19.793 25.136 9.874 1.00 25.00 O ATOM 589 CB GLU A 40 18.140 27.934 9.269 1.00 25.00 C ATOM 590 CG GLU A 40 17.577 29.052 10.101 1.00 25.00 C ATOM 591 CD GLU A 40 16.107 29.269 9.781 1.00 25.00 C ATOM 592 OE1 GLU A 40 15.758 29.344 8.575 1.00 25.00 O ATOM 593 OE2 GLU A 40 15.288 29.270 10.723 1.00 25.00 O ATOM 0 H GLU A 40 20.148 29.042 8.280 1.00 25.00 H new ATOM 0 HA GLU A 40 19.759 27.564 10.673 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.104 28.232 8.221 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.491 27.065 9.376 1.00 25.00 H new ATOM 0 HG2 GLU A 40 17.694 28.819 11.159 1.00 25.00 H new ATOM 0 HG3 GLU A 40 18.135 29.969 9.913 1.00 25.00 H new ATOM 600 N ARG A 41 19.673 25.915 7.780 1.00 25.00 N ATOM 601 CA ARG A 41 19.573 24.571 7.187 1.00 25.00 C ATOM 602 C ARG A 41 20.881 23.906 6.798 1.00 25.00 C ATOM 603 O ARG A 41 20.950 22.692 6.694 1.00 25.00 O ATOM 604 CB ARG A 41 18.664 24.650 5.969 1.00 25.00 C ATOM 605 CG ARG A 41 17.307 25.215 6.340 1.00 25.00 C ATOM 606 CD ARG A 41 16.305 25.113 5.225 1.00 25.00 C ATOM 607 NE ARG A 41 15.080 25.844 5.591 1.00 25.00 N ATOM 608 CZ ARG A 41 13.961 25.876 4.882 1.00 25.00 C ATOM 609 NH1 ARG A 41 13.831 25.229 3.748 1.00 25.00 N ATOM 610 NH2 ARG A 41 12.954 26.576 5.323 1.00 25.00 N ATOM 0 H ARG A 41 19.699 26.678 7.103 1.00 25.00 H new ATOM 0 HA ARG A 41 19.172 23.935 7.976 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.126 25.276 5.206 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.543 23.657 5.536 1.00 25.00 H new ATOM 0 HG2 ARG A 41 16.926 24.686 7.214 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.420 26.261 6.625 1.00 25.00 H new ATOM 0 HD2 ARG A 41 16.725 25.524 4.307 1.00 25.00 H new ATOM 0 HD3 ARG A 41 16.071 24.067 5.028 1.00 25.00 H new ATOM 0 HE ARG A 41 15.094 26.370 6.465 1.00 25.00 H new ATOM 0 HH11 ARG A 41 14.608 24.677 3.384 1.00 25.00 H new ATOM 0 HH12 ARG A 41 12.953 25.278 3.231 1.00 25.00 H new ATOM 0 HH21 ARG A 41 13.035 27.088 6.201 1.00 25.00 H new ATOM 0 HH22 ARG A 41 12.085 26.612 4.790 1.00 25.00 H new ATOM 624 N ASN A 42 21.902 24.705 6.559 1.00 25.00 N ATOM 625 CA ASN A 42 23.230 24.193 6.191 1.00 25.00 C ATOM 626 C ASN A 42 24.354 24.908 6.947 1.00 25.00 C ATOM 627 O ASN A 42 25.101 25.703 6.355 1.00 25.00 O ATOM 628 CB ASN A 42 23.470 24.354 4.688 1.00 25.00 C ATOM 629 CG ASN A 42 24.620 23.511 4.198 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.394 22.989 4.968 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.737 23.385 2.913 1.00 25.00 N ATOM 0 H ASN A 42 21.847 25.722 6.611 1.00 25.00 H new ATOM 0 HA ASN A 42 23.245 23.138 6.464 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.565 24.079 4.146 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.670 25.402 4.465 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.500 22.832 2.522 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.066 23.839 2.293 1.00 25.00 H new ATOM 638 N PRO A 43 24.499 24.642 8.257 1.00 25.00 N ATOM 639 CA PRO A 43 25.570 25.367 8.955 1.00 25.00 C ATOM 640 C PRO A 43 27.008 25.267 8.379 1.00 25.00 C ATOM 641 O PRO A 43 27.693 26.296 8.334 1.00 25.00 O ATOM 642 CB PRO A 43 25.477 24.845 10.397 1.00 25.00 C ATOM 643 CG PRO A 43 24.686 23.572 10.319 1.00 25.00 C ATOM 644 CD PRO A 43 23.746 23.756 9.168 1.00 25.00 C ATOM 0 HA PRO A 43 25.406 26.439 8.844 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.468 24.665 10.813 1.00 25.00 H new ATOM 0 HB3 PRO A 43 24.987 25.571 11.045 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.338 22.714 10.160 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.141 23.391 11.246 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.499 22.806 8.694 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.806 24.208 9.484 1.00 25.00 H new ATOM 652 N PRO A 44 27.472 24.086 7.886 1.00 25.00 N ATOM 653 CA PRO A 44 28.843 24.190 7.359 1.00 25.00 C ATOM 654 C PRO A 44 29.004 25.037 6.084 1.00 25.00 C ATOM 655 O PRO A 44 30.039 25.685 5.909 1.00 25.00 O ATOM 656 CB PRO A 44 29.226 22.726 7.105 1.00 25.00 C ATOM 657 CG PRO A 44 27.959 22.058 6.824 1.00 25.00 C ATOM 658 CD PRO A 44 26.982 22.694 7.777 1.00 25.00 C ATOM 0 HA PRO A 44 29.484 24.717 8.066 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.916 22.637 6.266 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.721 22.289 7.973 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.655 22.203 5.787 1.00 25.00 H new ATOM 0 HG3 PRO A 44 28.032 20.983 6.988 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.962 22.655 7.394 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.978 22.192 8.744 1.00 25.00 H new ATOM 666 N LEU A 45 28.014 25.076 5.194 1.00 25.00 N ATOM 667 CA LEU A 45 28.145 25.934 4.013 1.00 25.00 C ATOM 668 C LEU A 45 27.969 27.384 4.433 1.00 25.00 C ATOM 669 O LEU A 45 28.588 28.293 3.877 1.00 25.00 O ATOM 670 CB LEU A 45 27.137 25.569 2.926 1.00 25.00 C ATOM 671 CG LEU A 45 27.281 26.327 1.586 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.696 26.221 0.985 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.268 25.776 0.584 1.00 25.00 C ATOM 0 H LEU A 45 27.144 24.547 5.259 1.00 25.00 H new ATOM 0 HA LEU A 45 29.138 25.785 3.588 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.218 24.500 2.727 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.134 25.745 3.314 1.00 25.00 H new ATOM 0 HG LEU A 45 27.095 27.381 1.792 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.735 26.773 0.046 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.420 26.641 1.683 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.935 25.174 0.801 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.366 26.308 -0.362 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.455 24.714 0.425 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.259 25.912 0.974 1.00 25.00 H new ATOM 685 N ALA A 46 27.140 27.603 5.440 1.00 25.00 N ATOM 686 CA ALA A 46 26.915 28.951 5.927 1.00 25.00 C ATOM 687 C ALA A 46 28.178 29.559 6.521 1.00 25.00 C ATOM 688 O ALA A 46 28.541 30.660 6.155 1.00 25.00 O ATOM 689 CB ALA A 46 25.825 28.951 6.951 1.00 25.00 C ATOM 0 H ALA A 46 26.619 26.875 5.929 1.00 25.00 H new ATOM 0 HA ALA A 46 26.620 29.562 5.074 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.664 29.967 7.311 1.00 25.00 H new ATOM 0 HB2 ALA A 46 24.905 28.574 6.504 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.111 28.312 7.786 1.00 25.00 H new ATOM 695 N GLU A 47 28.854 28.855 7.420 1.00 25.00 N ATOM 696 CA GLU A 47 30.061 29.410 8.059 1.00 25.00 C ATOM 697 C GLU A 47 31.148 29.742 7.033 1.00 25.00 C ATOM 698 O GLU A 47 31.886 30.714 7.192 1.00 25.00 O ATOM 699 CB GLU A 47 30.613 28.489 9.156 1.00 25.00 C ATOM 700 CG GLU A 47 31.198 27.175 8.676 1.00 25.00 C ATOM 701 CD GLU A 47 32.116 26.566 9.714 1.00 25.00 C ATOM 702 OE1 GLU A 47 33.356 26.742 9.573 1.00 25.00 O ATOM 703 OE2 GLU A 47 31.619 25.983 10.696 1.00 25.00 O ATOM 0 H GLU A 47 28.601 27.915 7.725 1.00 25.00 H new ATOM 0 HA GLU A 47 29.754 30.341 8.536 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.383 29.030 9.706 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.811 28.273 9.861 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.392 26.478 8.448 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.750 27.338 7.750 1.00 25.00 H new ATOM 710 N ALA A 48 31.199 28.978 5.953 1.00 25.00 N ATOM 711 CA ALA A 48 32.094 29.233 4.854 1.00 25.00 C ATOM 712 C ALA A 48 31.843 30.609 4.243 1.00 25.00 C ATOM 713 O ALA A 48 32.778 31.348 3.938 1.00 25.00 O ATOM 714 CB ALA A 48 31.913 28.126 3.814 1.00 25.00 C ATOM 0 H ALA A 48 30.610 28.156 5.821 1.00 25.00 H new ATOM 0 HA ALA A 48 33.123 29.232 5.215 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.584 28.303 2.973 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.144 27.161 4.266 1.00 25.00 H new ATOM 0 HB3 ALA A 48 30.882 28.124 3.461 1.00 25.00 H new ATOM 720 N LEU A 49 30.574 30.959 4.120 1.00 25.00 N ATOM 721 CA LEU A 49 30.174 32.255 3.598 1.00 25.00 C ATOM 722 C LEU A 49 30.473 33.358 4.606 1.00 25.00 C ATOM 723 O LEU A 49 30.950 34.426 4.239 1.00 25.00 O ATOM 724 CB LEU A 49 28.670 32.252 3.315 1.00 25.00 C ATOM 725 CG LEU A 49 28.133 33.528 2.664 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.360 33.476 1.165 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.660 33.680 2.995 1.00 25.00 C ATOM 0 H LEU A 49 29.794 30.355 4.378 1.00 25.00 H new ATOM 0 HA LEU A 49 30.734 32.441 2.682 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.439 31.406 2.667 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.139 32.089 4.253 1.00 25.00 H new ATOM 0 HG LEU A 49 28.664 34.396 3.053 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.976 34.387 0.707 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.427 33.390 0.961 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.840 32.613 0.748 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.275 34.589 2.532 1.00 25.00 H new ATOM 0 HD22 LEU A 49 26.111 32.818 2.615 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.535 33.742 4.076 1.00 25.00 H new ATOM 739 N LEU A 50 30.181 33.099 5.879 1.00 25.00 N ATOM 740 CA LEU A 50 30.350 34.108 6.936 1.00 25.00 C ATOM 741 C LEU A 50 31.816 34.488 7.055 1.00 25.00 C ATOM 742 O LEU A 50 32.166 35.620 7.372 1.00 25.00 O ATOM 743 CB LEU A 50 29.882 33.582 8.306 1.00 25.00 C ATOM 744 CG LEU A 50 28.499 32.923 8.456 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.173 32.752 9.925 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.382 33.652 7.729 1.00 25.00 C ATOM 0 H LEU A 50 29.826 32.201 6.209 1.00 25.00 H new ATOM 0 HA LEU A 50 29.744 34.971 6.659 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.623 32.857 8.643 1.00 25.00 H new ATOM 0 HB3 LEU A 50 29.917 34.420 9.002 1.00 25.00 H new ATOM 0 HG LEU A 50 28.563 31.948 7.973 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.193 32.285 10.028 1.00 25.00 H new ATOM 0 HD12 LEU A 50 28.927 32.120 10.394 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.163 33.727 10.411 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.441 33.124 7.885 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.297 34.667 8.117 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.605 33.689 6.663 1.00 25.00 H new ATOM 758 N SER A 51 32.666 33.507 6.806 1.00 25.00 N ATOM 759 CA SER A 51 34.106 33.675 6.879 1.00 25.00 C ATOM 760 C SER A 51 34.642 34.522 5.725 1.00 25.00 C ATOM 761 O SER A 51 35.732 35.081 5.815 1.00 25.00 O ATOM 762 CB SER A 51 34.745 32.308 6.819 1.00 25.00 C ATOM 763 OG SER A 51 36.120 32.350 7.167 1.00 25.00 O ATOM 0 H SER A 51 32.374 32.565 6.546 1.00 25.00 H new ATOM 0 HA SER A 51 34.346 34.189 7.810 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.220 31.632 7.494 1.00 25.00 H new ATOM 0 HB3 SER A 51 34.637 31.901 5.814 1.00 25.00 H new ATOM 0 HG SER A 51 36.664 32.179 6.370 1.00 25.00 H new ATOM 769 N GLY A 52 33.891 34.574 4.632 1.00 25.00 N ATOM 770 CA GLY A 52 34.260 35.375 3.472 1.00 25.00 C ATOM 771 C GLY A 52 35.191 34.674 2.504 1.00 25.00 C ATOM 772 O GLY A 52 35.333 35.094 1.355 1.00 25.00 O ATOM 0 H GLY A 52 33.014 34.065 4.525 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.353 35.665 2.941 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.736 36.294 3.815 1.00 25.00 H new ATOM 776 N ASP A 53 35.835 33.612 2.959 1.00 25.00 N ATOM 777 CA ASP A 53 36.799 32.884 2.141 1.00 25.00 C ATOM 778 C ASP A 53 36.111 32.119 1.013 1.00 25.00 C ATOM 779 O ASP A 53 35.380 31.156 1.254 1.00 25.00 O ATOM 780 CB ASP A 53 37.582 31.887 2.993 1.00 25.00 C ATOM 781 CG ASP A 53 38.804 31.373 2.286 1.00 25.00 C ATOM 782 OD1 ASP A 53 39.060 31.811 1.146 1.00 25.00 O ATOM 783 OD2 ASP A 53 39.465 30.469 2.835 1.00 25.00 O ATOM 0 H ASP A 53 35.708 33.231 3.896 1.00 25.00 H new ATOM 0 HA ASP A 53 37.475 33.624 1.712 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.879 32.364 3.927 1.00 25.00 H new ATOM 0 HB3 ASP A 53 36.936 31.049 3.254 1.00 25.00 H new ATOM 788 N LEU A 54 36.360 32.521 -0.221 1.00 25.00 N ATOM 789 CA LEU A 54 35.789 31.822 -1.365 1.00 25.00 C ATOM 790 C LEU A 54 36.364 30.418 -1.445 1.00 25.00 C ATOM 791 O LEU A 54 35.672 29.486 -1.819 1.00 25.00 O ATOM 792 CB LEU A 54 36.084 32.587 -2.652 1.00 25.00 C ATOM 793 CG LEU A 54 35.446 32.091 -3.970 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.349 31.106 -4.711 1.00 25.00 C ATOM 795 CD2 LEU A 54 34.039 31.479 -3.837 1.00 25.00 C ATOM 0 H LEU A 54 36.948 33.320 -0.458 1.00 25.00 H new ATOM 0 HA LEU A 54 34.708 31.758 -1.241 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.772 33.621 -2.502 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.165 32.597 -2.791 1.00 25.00 H new ATOM 0 HG LEU A 54 35.331 33.008 -4.547 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.860 30.785 -5.630 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.295 31.591 -4.953 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.538 30.239 -4.078 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.685 31.164 -4.819 1.00 25.00 H new ATOM 0 HD22 LEU A 54 34.079 30.616 -3.172 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.356 32.223 -3.426 1.00 25.00 H new ATOM 807 N GLU A 55 37.614 30.260 -1.051 1.00 25.00 N ATOM 808 CA GLU A 55 38.248 28.940 -1.062 1.00 25.00 C ATOM 809 C GLU A 55 37.435 27.971 -0.211 1.00 25.00 C ATOM 810 O GLU A 55 37.023 26.912 -0.684 1.00 25.00 O ATOM 811 CB GLU A 55 39.675 29.003 -0.516 1.00 25.00 C ATOM 812 CG GLU A 55 40.595 29.952 -1.253 1.00 25.00 C ATOM 813 CD GLU A 55 40.993 29.428 -2.625 1.00 25.00 C ATOM 814 OE1 GLU A 55 40.266 29.709 -3.606 1.00 25.00 O ATOM 815 OE2 GLU A 55 42.022 28.726 -2.722 1.00 25.00 O ATOM 0 H GLU A 55 38.212 31.017 -0.721 1.00 25.00 H new ATOM 0 HA GLU A 55 38.285 28.596 -2.096 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.635 29.299 0.532 1.00 25.00 H new ATOM 0 HB3 GLU A 55 40.106 28.002 -0.549 1.00 25.00 H new ATOM 0 HG2 GLU A 55 40.102 30.918 -1.365 1.00 25.00 H new ATOM 0 HG3 GLU A 55 41.492 30.120 -0.657 1.00 25.00 H new ATOM 822 N LYS A 56 37.161 28.338 1.038 1.00 25.00 N ATOM 823 CA LYS A 56 36.354 27.462 1.899 1.00 25.00 C ATOM 824 C LYS A 56 34.916 27.382 1.406 1.00 25.00 C ATOM 825 O LYS A 56 34.326 26.319 1.459 1.00 25.00 O ATOM 826 CB LYS A 56 36.446 27.837 3.399 1.00 25.00 C ATOM 827 CG LYS A 56 35.553 28.876 3.914 1.00 25.00 C ATOM 828 CD LYS A 56 36.047 29.328 5.299 1.00 25.00 C ATOM 829 CE LYS A 56 35.451 28.485 6.450 1.00 25.00 C ATOM 830 NZ LYS A 56 35.840 28.980 7.812 1.00 25.00 N ATOM 0 H LYS A 56 37.472 29.207 1.472 1.00 25.00 H new ATOM 0 HA LYS A 56 36.782 26.462 1.824 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.270 26.931 3.979 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.470 28.150 3.600 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.529 29.724 3.229 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.534 28.494 3.985 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.135 29.262 5.331 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.786 30.376 5.449 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.364 28.487 6.367 1.00 25.00 H new ATOM 0 HE3 LYS A 56 35.777 27.451 6.340 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.409 28.373 8.538 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 36.875 28.953 7.908 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.506 29.957 7.935 1.00 25.00 H new ATOM 844 N PHE A 57 34.364 28.464 0.878 1.00 25.00 N ATOM 845 CA PHE A 57 32.998 28.420 0.349 1.00 25.00 C ATOM 846 C PHE A 57 32.881 27.417 -0.791 1.00 25.00 C ATOM 847 O PHE A 57 32.031 26.543 -0.753 1.00 25.00 O ATOM 848 CB PHE A 57 32.533 29.805 -0.103 1.00 25.00 C ATOM 849 CG PHE A 57 31.099 29.832 -0.557 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.782 29.791 -1.930 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.053 29.875 0.385 1.00 25.00 C ATOM 852 CE1 PHE A 57 29.432 29.799 -2.359 1.00 25.00 C ATOM 853 CE2 PHE A 57 28.701 29.878 -0.037 1.00 25.00 C ATOM 854 CZ PHE A 57 28.394 29.838 -1.413 1.00 25.00 C ATOM 0 H PHE A 57 34.826 29.370 0.802 1.00 25.00 H new ATOM 0 HA PHE A 57 32.345 28.092 1.158 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.660 30.510 0.719 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.171 30.147 -0.918 1.00 25.00 H new ATOM 0 HD1 PHE A 57 31.576 29.753 -2.661 1.00 25.00 H new ATOM 0 HD2 PHE A 57 30.284 29.906 1.440 1.00 25.00 H new ATOM 0 HE1 PHE A 57 29.201 29.775 -3.414 1.00 25.00 H new ATOM 0 HE2 PHE A 57 27.906 29.911 0.694 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.364 29.837 -1.738 1.00 25.00 H new ATOM 864 N SER A 58 33.760 27.509 -1.774 1.00 25.00 N ATOM 865 CA SER A 58 33.770 26.574 -2.896 1.00 25.00 C ATOM 866 C SER A 58 34.063 25.150 -2.450 1.00 25.00 C ATOM 867 O SER A 58 33.477 24.198 -2.966 1.00 25.00 O ATOM 868 CB SER A 58 34.833 27.003 -3.910 1.00 25.00 C ATOM 869 OG SER A 58 34.802 26.178 -5.062 1.00 25.00 O ATOM 0 H SER A 58 34.483 28.227 -1.821 1.00 25.00 H new ATOM 0 HA SER A 58 32.777 26.592 -3.346 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.667 28.041 -4.198 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.820 26.953 -3.450 1.00 25.00 H new ATOM 0 HG SER A 58 35.489 26.474 -5.695 1.00 25.00 H new ATOM 875 N ARG A 59 34.960 25.000 -1.487 1.00 25.00 N ATOM 876 CA ARG A 59 35.324 23.681 -0.975 1.00 25.00 C ATOM 877 C ARG A 59 34.110 23.010 -0.349 1.00 25.00 C ATOM 878 O ARG A 59 33.800 21.875 -0.670 1.00 25.00 O ATOM 879 CB ARG A 59 36.469 23.819 0.039 1.00 25.00 C ATOM 880 CG ARG A 59 36.786 22.560 0.838 1.00 25.00 C ATOM 881 CD ARG A 59 36.326 22.709 2.293 1.00 25.00 C ATOM 882 NE ARG A 59 37.463 22.811 3.224 1.00 25.00 N ATOM 883 CZ ARG A 59 37.971 21.801 3.925 1.00 25.00 C ATOM 884 NH1 ARG A 59 37.515 20.579 3.849 1.00 25.00 N ATOM 885 NH2 ARG A 59 38.970 22.035 4.730 1.00 25.00 N ATOM 0 H ARG A 59 35.452 25.775 -1.042 1.00 25.00 H new ATOM 0 HA ARG A 59 35.667 23.052 -1.797 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.369 24.128 -0.493 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.221 24.619 0.736 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.294 21.701 0.382 1.00 25.00 H new ATOM 0 HG3 ARG A 59 37.858 22.365 0.809 1.00 25.00 H new ATOM 0 HD2 ARG A 59 35.700 23.597 2.386 1.00 25.00 H new ATOM 0 HD3 ARG A 59 35.709 21.854 2.567 1.00 25.00 H new ATOM 0 HE ARG A 59 37.895 23.728 3.340 1.00 25.00 H new ATOM 0 HH11 ARG A 59 36.733 20.364 3.230 1.00 25.00 H new ATOM 0 HH12 ARG A 59 37.941 19.840 4.409 1.00 25.00 H new ATOM 0 HH21 ARG A 59 39.348 22.979 4.813 1.00 25.00 H new ATOM 0 HH22 ARG A 59 39.374 21.274 5.276 1.00 25.00 H new ATOM 899 N VAL A 60 33.394 23.719 0.506 1.00 25.00 N ATOM 900 CA VAL A 60 32.227 23.126 1.151 1.00 25.00 C ATOM 901 C VAL A 60 31.117 22.936 0.119 1.00 25.00 C ATOM 902 O VAL A 60 30.381 21.957 0.161 1.00 25.00 O ATOM 903 CB VAL A 60 31.723 23.977 2.345 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.513 23.306 3.002 1.00 25.00 C ATOM 905 CG2 VAL A 60 32.837 24.135 3.395 1.00 25.00 C ATOM 0 H VAL A 60 33.590 24.685 0.768 1.00 25.00 H new ATOM 0 HA VAL A 60 32.521 22.158 1.556 1.00 25.00 H new ATOM 0 HB VAL A 60 31.436 24.958 1.967 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.170 23.914 3.839 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.710 23.208 2.271 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.797 22.318 3.364 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.470 24.735 4.228 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.136 23.152 3.759 1.00 25.00 H new ATOM 0 HG23 VAL A 60 33.696 24.630 2.942 1.00 25.00 H new ATOM 915 N LEU A 61 31.020 23.844 -0.841 1.00 25.00 N ATOM 916 CA LEU A 61 29.998 23.743 -1.881 1.00 25.00 C ATOM 917 C LEU A 61 30.100 22.426 -2.652 1.00 25.00 C ATOM 918 O LEU A 61 29.090 21.766 -2.889 1.00 25.00 O ATOM 919 CB LEU A 61 30.124 24.917 -2.856 1.00 25.00 C ATOM 920 CG LEU A 61 28.886 25.169 -3.720 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.099 26.306 -3.117 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.259 25.536 -5.130 1.00 25.00 C ATOM 0 H LEU A 61 31.631 24.656 -0.924 1.00 25.00 H new ATOM 0 HA LEU A 61 29.026 23.772 -1.389 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.343 25.821 -2.288 1.00 25.00 H new ATOM 0 HB3 LEU A 61 30.977 24.737 -3.511 1.00 25.00 H new ATOM 0 HG LEU A 61 28.297 24.252 -3.749 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.213 26.497 -3.723 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.796 26.042 -2.104 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.719 27.202 -3.088 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.354 25.707 -5.713 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.863 26.443 -5.122 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.831 24.724 -5.578 1.00 25.00 H new ATOM 934 N VAL A 62 31.306 22.030 -3.035 1.00 25.00 N ATOM 935 CA VAL A 62 31.477 20.777 -3.776 1.00 25.00 C ATOM 936 C VAL A 62 31.368 19.571 -2.835 1.00 25.00 C ATOM 937 O VAL A 62 30.832 18.536 -3.207 1.00 25.00 O ATOM 938 CB VAL A 62 32.808 20.763 -4.607 1.00 25.00 C ATOM 939 CG1 VAL A 62 34.060 20.751 -3.722 1.00 25.00 C ATOM 940 CG2 VAL A 62 32.826 19.569 -5.553 1.00 25.00 C ATOM 0 H VAL A 62 32.168 22.543 -2.852 1.00 25.00 H new ATOM 0 HA VAL A 62 30.666 20.704 -4.500 1.00 25.00 H new ATOM 0 HB VAL A 62 32.831 21.689 -5.182 1.00 25.00 H new ATOM 0 HG11 VAL A 62 34.950 20.742 -4.351 1.00 25.00 H new ATOM 0 HG12 VAL A 62 34.070 21.641 -3.093 1.00 25.00 H new ATOM 0 HG13 VAL A 62 34.052 19.862 -3.092 1.00 25.00 H new ATOM 0 HG21 VAL A 62 33.755 19.571 -6.124 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.756 18.647 -4.976 1.00 25.00 H new ATOM 0 HG23 VAL A 62 31.980 19.634 -6.237 1.00 25.00 H new ATOM 950 N GLU A 63 31.820 19.716 -1.601 1.00 25.00 N ATOM 951 CA GLU A 63 31.704 18.638 -0.610 1.00 25.00 C ATOM 952 C GLU A 63 30.239 18.303 -0.338 1.00 25.00 C ATOM 953 O GLU A 63 29.866 17.139 -0.307 1.00 25.00 O ATOM 954 CB GLU A 63 32.395 19.042 0.690 1.00 25.00 C ATOM 955 CG GLU A 63 33.913 18.909 0.617 1.00 25.00 C ATOM 956 CD GLU A 63 34.621 19.544 1.807 1.00 25.00 C ATOM 957 OE1 GLU A 63 33.972 20.244 2.611 1.00 25.00 O ATOM 958 OE2 GLU A 63 35.857 19.380 1.910 1.00 25.00 O ATOM 0 H GLU A 63 32.270 20.563 -1.254 1.00 25.00 H new ATOM 0 HA GLU A 63 32.191 17.751 -1.014 1.00 25.00 H new ATOM 0 HB2 GLU A 63 32.136 20.074 0.929 1.00 25.00 H new ATOM 0 HB3 GLU A 63 32.019 18.422 1.504 1.00 25.00 H new ATOM 0 HG2 GLU A 63 34.178 17.853 0.564 1.00 25.00 H new ATOM 0 HG3 GLU A 63 34.270 19.374 -0.302 1.00 25.00 H new