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 83:sc= 0.641 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -169:sc= 0.714 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.992 K(o=-0.99,f=-5.7!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0542 X(o=-0.054,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= -0.164 K(o=-0.16,f=-4.8!) USER MOD Single : A 58 SER OG : rot 180:sc=-0.000109 USER MOD ----------------------------------------------------------------- ATOM 272 N PRO A 21 30.519 29.106 -7.717 1.00 25.00 N ATOM 273 CA PRO A 21 30.440 29.424 -6.293 1.00 25.00 C ATOM 274 C PRO A 21 30.839 30.860 -5.987 1.00 25.00 C ATOM 275 O PRO A 21 30.440 31.414 -4.977 1.00 25.00 O ATOM 276 CB PRO A 21 31.435 28.440 -5.668 1.00 25.00 C ATOM 277 CG PRO A 21 32.351 28.115 -6.719 1.00 25.00 C ATOM 278 CD PRO A 21 31.554 28.086 -7.967 1.00 25.00 C ATOM 0 HA PRO A 21 29.424 29.335 -5.908 1.00 25.00 H new ATOM 0 HB2 PRO A 21 31.952 28.888 -4.820 1.00 25.00 H new ATOM 0 HB3 PRO A 21 30.928 27.549 -5.298 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.148 28.855 -6.783 1.00 25.00 H new ATOM 0 HG3 PRO A 21 32.825 27.151 -6.538 1.00 25.00 H new ATOM 0 HD2 PRO A 21 32.160 28.330 -8.840 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.118 27.103 -8.146 1.00 25.00 H new ATOM 286 N ALA A 22 31.609 31.473 -6.873 1.00 25.00 N ATOM 287 CA ALA A 22 32.010 32.866 -6.696 1.00 25.00 C ATOM 288 C ALA A 22 30.771 33.768 -6.703 1.00 25.00 C ATOM 289 O ALA A 22 30.652 34.682 -5.892 1.00 25.00 O ATOM 290 CB ALA A 22 32.986 33.276 -7.806 1.00 25.00 C ATOM 0 H ALA A 22 31.969 31.033 -7.720 1.00 25.00 H new ATOM 0 HA ALA A 22 32.515 32.977 -5.736 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.280 34.316 -7.666 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.871 32.641 -7.766 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.502 33.163 -8.776 1.00 25.00 H new ATOM 296 N LEU A 23 29.852 33.485 -7.616 1.00 25.00 N ATOM 297 CA LEU A 23 28.629 34.268 -7.754 1.00 25.00 C ATOM 298 C LEU A 23 27.634 33.881 -6.673 1.00 25.00 C ATOM 299 O LEU A 23 26.927 34.727 -6.153 1.00 25.00 O ATOM 300 CB LEU A 23 27.991 34.047 -9.128 1.00 25.00 C ATOM 301 CG LEU A 23 28.839 34.431 -10.359 1.00 25.00 C ATOM 302 CD1 LEU A 23 28.050 34.142 -11.632 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.247 35.901 -10.333 1.00 25.00 C ATOM 0 H LEU A 23 29.931 32.713 -8.278 1.00 25.00 H new ATOM 0 HA LEU A 23 28.891 35.321 -7.651 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.726 32.993 -9.214 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.061 34.614 -9.166 1.00 25.00 H new ATOM 0 HG LEU A 23 29.750 33.833 -10.336 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.649 34.413 -12.501 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.807 33.080 -11.676 1.00 25.00 H new ATOM 0 HD13 LEU A 23 27.129 34.725 -11.630 1.00 25.00 H new ATOM 0 HD21 LEU A 23 29.842 36.129 -11.217 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.354 36.526 -10.325 1.00 25.00 H new ATOM 0 HD23 LEU A 23 29.836 36.099 -9.438 1.00 25.00 H new ATOM 315 N LEU A 24 27.606 32.605 -6.313 1.00 25.00 N ATOM 316 CA LEU A 24 26.706 32.144 -5.255 1.00 25.00 C ATOM 317 C LEU A 24 27.073 32.834 -3.950 1.00 25.00 C ATOM 318 O LEU A 24 26.217 33.343 -3.242 1.00 25.00 O ATOM 319 CB LEU A 24 26.812 30.627 -5.080 1.00 25.00 C ATOM 320 CG LEU A 24 25.530 29.911 -4.631 1.00 25.00 C ATOM 321 CD1 LEU A 24 25.755 28.412 -4.447 1.00 25.00 C ATOM 322 CD2 LEU A 24 24.875 30.471 -3.419 1.00 25.00 C ATOM 0 H LEU A 24 28.186 31.876 -6.729 1.00 25.00 H new ATOM 0 HA LEU A 24 25.681 32.390 -5.531 1.00 25.00 H new ATOM 0 HB2 LEU A 24 27.134 30.193 -6.027 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.595 30.419 -4.351 1.00 25.00 H new ATOM 0 HG LEU A 24 24.837 30.089 -5.453 1.00 25.00 H new ATOM 0 HD11 LEU A 24 24.825 27.941 -4.129 1.00 25.00 H new ATOM 0 HD12 LEU A 24 26.079 27.974 -5.391 1.00 25.00 H new ATOM 0 HD13 LEU A 24 26.522 28.249 -3.689 1.00 25.00 H new ATOM 0 HD21 LEU A 24 23.980 29.893 -3.189 1.00 25.00 H new ATOM 0 HD22 LEU A 24 25.565 30.422 -2.577 1.00 25.00 H new ATOM 0 HD23 LEU A 24 24.599 31.509 -3.602 1.00 25.00 H new ATOM 334 N ARG A 25 28.366 32.879 -3.658 1.00 25.00 N ATOM 335 CA ARG A 25 28.863 33.550 -2.467 1.00 25.00 C ATOM 336 C ARG A 25 28.444 35.012 -2.484 1.00 25.00 C ATOM 337 O ARG A 25 27.959 35.521 -1.495 1.00 25.00 O ATOM 338 CB ARG A 25 30.388 33.448 -2.435 1.00 25.00 C ATOM 339 CG ARG A 25 31.032 34.063 -1.206 1.00 25.00 C ATOM 340 CD ARG A 25 32.493 34.358 -1.449 1.00 25.00 C ATOM 341 NE ARG A 25 32.680 35.378 -2.496 1.00 25.00 N ATOM 342 CZ ARG A 25 33.747 36.159 -2.626 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.758 36.116 -1.791 1.00 25.00 N ATOM 344 NH2 ARG A 25 33.792 37.005 -3.616 1.00 25.00 N ATOM 0 H ARG A 25 29.093 32.455 -4.235 1.00 25.00 H new ATOM 0 HA ARG A 25 28.446 33.075 -1.579 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.671 32.397 -2.491 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.791 33.934 -3.323 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.511 34.983 -0.940 1.00 25.00 H new ATOM 0 HG3 ARG A 25 30.931 33.384 -0.360 1.00 25.00 H new ATOM 0 HD2 ARG A 25 32.953 34.700 -0.522 1.00 25.00 H new ATOM 0 HD3 ARG A 25 33.005 33.441 -1.740 1.00 25.00 H new ATOM 0 HE ARG A 25 31.929 35.494 -3.176 1.00 25.00 H new ATOM 0 HH11 ARG A 25 34.744 35.465 -1.006 1.00 25.00 H new ATOM 0 HH12 ARG A 25 35.558 36.733 -1.927 1.00 25.00 H new ATOM 0 HH21 ARG A 25 33.016 37.060 -4.276 1.00 25.00 H new ATOM 0 HH22 ARG A 25 34.603 37.612 -3.731 1.00 25.00 H new ATOM 358 N ASP A 26 28.635 35.683 -3.608 1.00 25.00 N ATOM 359 CA ASP A 26 28.284 37.098 -3.711 1.00 25.00 C ATOM 360 C ASP A 26 26.785 37.322 -3.509 1.00 25.00 C ATOM 361 O ASP A 26 26.378 38.205 -2.755 1.00 25.00 O ATOM 362 CB ASP A 26 28.706 37.663 -5.066 1.00 25.00 C ATOM 363 CG ASP A 26 28.653 39.183 -5.093 1.00 25.00 C ATOM 364 OD1 ASP A 26 29.645 39.814 -4.664 1.00 25.00 O ATOM 365 OD2 ASP A 26 27.640 39.749 -5.549 1.00 25.00 O ATOM 0 H ASP A 26 29.028 35.279 -4.458 1.00 25.00 H new ATOM 0 HA ASP A 26 28.821 37.621 -2.919 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.718 37.332 -5.297 1.00 25.00 H new ATOM 0 HB3 ASP A 26 28.055 37.264 -5.844 1.00 25.00 H new ATOM 370 N MET A 27 25.966 36.491 -4.145 1.00 25.00 N ATOM 371 CA MET A 27 24.513 36.591 -4.019 1.00 25.00 C ATOM 372 C MET A 27 24.094 36.373 -2.574 1.00 25.00 C ATOM 373 O MET A 27 23.318 37.142 -2.025 1.00 25.00 O ATOM 374 CB MET A 27 23.823 35.543 -4.897 1.00 25.00 C ATOM 375 CG MET A 27 22.298 35.621 -4.849 1.00 25.00 C ATOM 376 SD MET A 27 21.533 34.311 -5.818 1.00 25.00 S ATOM 377 CE MET A 27 21.678 32.876 -4.709 1.00 25.00 C ATOM 0 H MET A 27 26.283 35.738 -4.755 1.00 25.00 H new ATOM 0 HA MET A 27 24.215 37.588 -4.343 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.154 35.669 -5.928 1.00 25.00 H new ATOM 0 HB3 MET A 27 24.139 34.549 -4.580 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.963 35.551 -3.814 1.00 25.00 H new ATOM 0 HG3 MET A 27 21.971 36.590 -5.226 1.00 25.00 H new ATOM 0 HE1 MET A 27 21.242 32.000 -5.189 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.730 32.687 -4.494 1.00 25.00 H new ATOM 0 HE3 MET A 27 21.149 33.080 -3.778 1.00 25.00 H new ATOM 387 N LEU A 28 24.625 35.334 -1.949 1.00 25.00 N ATOM 388 CA LEU A 28 24.320 35.070 -0.549 1.00 25.00 C ATOM 389 C LEU A 28 24.757 36.199 0.382 1.00 25.00 C ATOM 390 O LEU A 28 24.009 36.584 1.262 1.00 25.00 O ATOM 391 CB LEU A 28 25.013 33.813 -0.101 1.00 25.00 C ATOM 392 CG LEU A 28 24.341 32.494 -0.442 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.334 31.424 -0.138 1.00 25.00 C ATOM 394 CD2 LEU A 28 23.078 32.276 0.374 1.00 25.00 C ATOM 0 H LEU A 28 25.262 34.666 -2.382 1.00 25.00 H new ATOM 0 HA LEU A 28 23.236 34.974 -0.489 1.00 25.00 H new ATOM 0 HB2 LEU A 28 26.013 33.805 -0.534 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.135 33.861 0.981 1.00 25.00 H new ATOM 0 HG LEU A 28 24.040 32.486 -1.490 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.901 30.450 -0.366 1.00 25.00 H new ATOM 0 HD12 LEU A 28 26.228 31.574 -0.744 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.600 31.464 0.918 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.628 31.322 0.100 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.327 32.268 1.435 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.372 33.081 0.173 1.00 25.00 H new ATOM 406 N LEU A 29 25.959 36.726 0.190 1.00 25.00 N ATOM 407 CA LEU A 29 26.462 37.802 1.056 1.00 25.00 C ATOM 408 C LEU A 29 25.571 39.023 0.919 1.00 25.00 C ATOM 409 O LEU A 29 25.339 39.753 1.881 1.00 25.00 O ATOM 410 CB LEU A 29 27.901 38.187 0.672 1.00 25.00 C ATOM 411 CG LEU A 29 29.020 37.230 1.110 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.318 37.607 0.400 1.00 25.00 C ATOM 413 CD2 LEU A 29 29.229 37.250 2.624 1.00 25.00 C ATOM 0 H LEU A 29 26.602 36.435 -0.546 1.00 25.00 H new ATOM 0 HA LEU A 29 26.455 37.444 2.086 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.947 38.288 -0.412 1.00 25.00 H new ATOM 0 HB3 LEU A 29 28.112 39.170 1.093 1.00 25.00 H new ATOM 0 HG LEU A 29 28.724 36.218 0.834 1.00 25.00 H new ATOM 0 HD11 LEU A 29 31.113 36.928 0.710 1.00 25.00 H new ATOM 0 HD12 LEU A 29 30.178 37.533 -0.678 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.592 38.629 0.661 1.00 25.00 H new ATOM 0 HD21 LEU A 29 30.029 36.559 2.890 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.499 38.257 2.941 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.308 36.948 3.122 1.00 25.00 H new ATOM 425 N ALA A 30 25.065 39.234 -0.284 1.00 25.00 N ATOM 426 CA ALA A 30 24.194 40.356 -0.569 1.00 25.00 C ATOM 427 C ALA A 30 22.786 40.176 -0.004 1.00 25.00 C ATOM 428 O ALA A 30 22.087 41.154 0.235 1.00 25.00 O ATOM 429 CB ALA A 30 24.111 40.542 -2.079 1.00 25.00 C ATOM 0 H ALA A 30 25.247 38.633 -1.087 1.00 25.00 H new ATOM 0 HA ALA A 30 24.621 41.234 -0.085 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.458 41.384 -2.306 1.00 25.00 H new ATOM 0 HB2 ALA A 30 25.107 40.737 -2.477 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.709 39.637 -2.535 1.00 25.00 H new ATOM 435 N ASN A 31 22.340 38.929 0.104 1.00 25.00 N ATOM 436 CA ASN A 31 20.934 38.644 0.368 1.00 25.00 C ATOM 437 C ASN A 31 20.684 38.162 1.797 1.00 25.00 C ATOM 438 O ASN A 31 20.973 37.012 2.137 1.00 25.00 O ATOM 439 CB ASN A 31 20.441 37.588 -0.625 1.00 25.00 C ATOM 440 CG ASN A 31 18.951 37.515 -0.686 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.266 37.650 0.327 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.439 37.317 -1.862 1.00 25.00 N ATOM 0 H ASN A 31 22.930 38.102 0.013 1.00 25.00 H new ATOM 0 HA ASN A 31 20.383 39.577 0.247 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.832 37.816 -1.617 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.838 36.613 -0.342 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.427 37.267 -1.976 1.00 25.00 H new ATOM 0 HD22 ASN A 31 19.049 37.211 -2.673 1.00 25.00 H new ATOM 449 N PRO A 32 20.107 39.023 2.654 1.00 25.00 N ATOM 450 CA PRO A 32 19.958 38.602 4.050 1.00 25.00 C ATOM 451 C PRO A 32 18.978 37.456 4.297 1.00 25.00 C ATOM 452 O PRO A 32 19.099 36.754 5.288 1.00 25.00 O ATOM 453 CB PRO A 32 19.497 39.888 4.742 1.00 25.00 C ATOM 454 CG PRO A 32 18.788 40.642 3.681 1.00 25.00 C ATOM 455 CD PRO A 32 19.617 40.403 2.455 1.00 25.00 C ATOM 0 HA PRO A 32 20.891 38.183 4.426 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.839 39.673 5.584 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.342 40.453 5.134 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.767 40.283 3.550 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.724 41.704 3.920 1.00 25.00 H new ATOM 0 HD2 PRO A 32 19.027 40.495 1.543 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.438 41.116 2.376 1.00 25.00 H new ATOM 463 N HIS A 33 18.014 37.249 3.413 1.00 25.00 N ATOM 464 CA HIS A 33 17.044 36.165 3.590 1.00 25.00 C ATOM 465 C HIS A 33 17.681 34.827 3.232 1.00 25.00 C ATOM 466 O HIS A 33 17.544 33.825 3.936 1.00 25.00 O ATOM 467 CB HIS A 33 15.836 36.400 2.681 1.00 25.00 C ATOM 468 CG HIS A 33 14.753 35.376 2.835 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.654 35.520 3.651 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.599 34.151 2.248 1.00 25.00 C ATOM 471 CE1 HIS A 33 12.903 34.429 3.532 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.437 33.556 2.703 1.00 25.00 N ATOM 0 H HIS A 33 17.878 37.809 2.571 1.00 25.00 H new ATOM 0 HA HIS A 33 16.725 36.148 4.632 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.422 37.387 2.890 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.170 36.408 1.644 1.00 25.00 H new ATOM 0 HD2 HIS A 33 15.283 33.714 1.536 1.00 25.00 H new ATOM 0 HE1 HIS A 33 11.969 34.277 4.052 1.00 25.00 H new ATOM 0 HE2 HIS A 33 13.072 32.638 2.451 1.00 25.00 H new ATOM 480 N GLU A 34 18.390 34.839 2.120 1.00 25.00 N ATOM 481 CA GLU A 34 18.978 33.638 1.548 1.00 25.00 C ATOM 482 C GLU A 34 20.148 33.168 2.399 1.00 25.00 C ATOM 483 O GLU A 34 20.390 31.978 2.566 1.00 25.00 O ATOM 484 CB GLU A 34 19.436 33.973 0.131 1.00 25.00 C ATOM 485 CG GLU A 34 18.534 33.453 -0.970 1.00 25.00 C ATOM 486 CD GLU A 34 17.077 33.901 -0.839 1.00 25.00 C ATOM 487 OE1 GLU A 34 16.808 35.111 -0.715 1.00 25.00 O ATOM 488 OE2 GLU A 34 16.194 33.038 -0.934 1.00 25.00 O ATOM 0 H GLU A 34 18.577 35.686 1.583 1.00 25.00 H new ATOM 0 HA GLU A 34 18.248 32.829 1.521 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.513 35.056 0.036 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.437 33.568 -0.017 1.00 25.00 H new ATOM 0 HG2 GLU A 34 18.922 33.787 -1.932 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.570 32.364 -0.972 1.00 25.00 H new ATOM 495 N LEU A 35 20.855 34.113 2.990 1.00 25.00 N ATOM 496 CA LEU A 35 21.967 33.776 3.867 1.00 25.00 C ATOM 497 C LEU A 35 21.445 33.253 5.208 1.00 25.00 C ATOM 498 O LEU A 35 22.110 32.473 5.888 1.00 25.00 O ATOM 499 CB LEU A 35 22.884 34.987 3.993 1.00 25.00 C ATOM 500 CG LEU A 35 22.676 36.108 5.020 1.00 25.00 C ATOM 501 CD1 LEU A 35 22.917 35.722 6.468 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.653 37.194 4.617 1.00 25.00 C ATOM 0 H LEU A 35 20.683 35.113 2.882 1.00 25.00 H new ATOM 0 HA LEU A 35 22.562 32.966 3.446 1.00 25.00 H new ATOM 0 HB2 LEU A 35 23.886 34.595 4.166 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.894 35.467 3.014 1.00 25.00 H new ATOM 0 HG LEU A 35 21.628 36.407 4.999 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.742 36.586 7.109 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.236 34.919 6.749 1.00 25.00 H new ATOM 0 HD13 LEU A 35 23.946 35.383 6.588 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.566 38.035 5.305 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.669 36.800 4.651 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.427 37.529 3.605 1.00 25.00 H new ATOM 514 N SER A 36 20.252 33.699 5.589 1.00 25.00 N ATOM 515 CA SER A 36 19.666 33.327 6.876 1.00 25.00 C ATOM 516 C SER A 36 19.177 31.898 6.861 1.00 25.00 C ATOM 517 O SER A 36 19.407 31.163 7.795 1.00 25.00 O ATOM 518 CB SER A 36 18.503 34.244 7.253 1.00 25.00 C ATOM 519 OG SER A 36 18.060 33.973 8.576 1.00 25.00 O ATOM 0 H SER A 36 19.670 34.319 5.026 1.00 25.00 H new ATOM 0 HA SER A 36 20.456 33.433 7.619 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.814 35.286 7.174 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.680 34.103 6.552 1.00 25.00 H new ATOM 0 HG SER A 36 17.316 34.570 8.801 1.00 25.00 H new ATOM 525 N LEU A 37 18.522 31.478 5.794 1.00 25.00 N ATOM 526 CA LEU A 37 18.055 30.094 5.734 1.00 25.00 C ATOM 527 C LEU A 37 19.226 29.166 5.680 1.00 25.00 C ATOM 528 O LEU A 37 19.165 28.038 6.126 1.00 25.00 O ATOM 529 CB LEU A 37 17.158 29.880 4.537 1.00 25.00 C ATOM 530 CG LEU A 37 17.708 30.000 3.114 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.118 28.645 2.578 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.638 30.629 2.239 1.00 25.00 C ATOM 0 H LEU A 37 18.303 32.050 4.978 1.00 25.00 H new ATOM 0 HA LEU A 37 17.474 29.884 6.632 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.730 28.882 4.632 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.335 30.589 4.623 1.00 25.00 H new ATOM 0 HG LEU A 37 18.599 30.628 3.114 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.506 28.756 1.565 1.00 25.00 H new ATOM 0 HD12 LEU A 37 18.891 28.219 3.218 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.253 27.982 2.564 1.00 25.00 H new ATOM 0 HD21 LEU A 37 17.011 30.723 1.219 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.748 29.999 2.243 1.00 25.00 H new ATOM 0 HD23 LEU A 37 16.386 31.616 2.626 1.00 25.00 H new ATOM 544 N LEU A 38 20.300 29.657 5.108 1.00 25.00 N ATOM 545 CA LEU A 38 21.475 28.860 4.947 1.00 25.00 C ATOM 546 C LEU A 38 22.151 28.566 6.272 1.00 25.00 C ATOM 547 O LEU A 38 22.519 27.436 6.534 1.00 25.00 O ATOM 548 CB LEU A 38 22.396 29.593 4.012 1.00 25.00 C ATOM 549 CG LEU A 38 23.612 28.758 3.598 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.198 27.578 2.739 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.604 29.614 2.861 1.00 25.00 C ATOM 0 H LEU A 38 20.376 30.608 4.748 1.00 25.00 H new ATOM 0 HA LEU A 38 21.206 27.889 4.531 1.00 25.00 H new ATOM 0 HB2 LEU A 38 21.842 29.886 3.120 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.738 30.510 4.491 1.00 25.00 H new ATOM 0 HG LEU A 38 24.080 28.371 4.503 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.081 27.003 2.460 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.514 26.942 3.300 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.701 27.940 1.839 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.463 29.009 2.572 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.135 30.028 1.968 1.00 25.00 H new ATOM 0 HD23 LEU A 38 24.934 30.427 3.507 1.00 25.00 H new ATOM 563 N LYS A 39 22.264 29.559 7.140 1.00 25.00 N ATOM 564 CA LYS A 39 22.822 29.312 8.477 1.00 25.00 C ATOM 565 C LYS A 39 21.879 28.477 9.332 1.00 25.00 C ATOM 566 O LYS A 39 22.334 27.735 10.189 1.00 25.00 O ATOM 567 CB LYS A 39 23.228 30.612 9.199 1.00 25.00 C ATOM 568 CG LYS A 39 22.148 31.699 9.243 1.00 25.00 C ATOM 569 CD LYS A 39 22.338 32.690 10.379 1.00 25.00 C ATOM 570 CE LYS A 39 23.530 33.608 10.126 1.00 25.00 C ATOM 571 NZ LYS A 39 23.680 34.586 11.254 1.00 25.00 N ATOM 0 H LYS A 39 21.987 30.524 6.958 1.00 25.00 H new ATOM 0 HA LYS A 39 23.736 28.737 8.328 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.515 30.366 10.221 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.112 31.020 8.709 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.147 32.239 8.296 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.171 31.227 9.342 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.435 33.289 10.496 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.486 32.150 11.314 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.439 33.016 10.025 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.393 34.144 9.187 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.495 35.206 11.070 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 22.818 35.162 11.331 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 23.832 34.069 12.144 1.00 25.00 H new ATOM 585 N GLU A 40 20.584 28.548 9.057 1.00 25.00 N ATOM 586 CA GLU A 40 19.613 27.721 9.767 1.00 25.00 C ATOM 587 C GLU A 40 19.691 26.261 9.306 1.00 25.00 C ATOM 588 O GLU A 40 19.773 25.351 10.125 1.00 25.00 O ATOM 589 CB GLU A 40 18.193 28.250 9.528 1.00 25.00 C ATOM 590 CG GLU A 40 17.880 29.566 10.246 1.00 25.00 C ATOM 591 CD GLU A 40 17.895 29.428 11.755 1.00 25.00 C ATOM 592 OE1 GLU A 40 18.683 30.146 12.407 1.00 25.00 O ATOM 593 OE2 GLU A 40 17.098 28.627 12.291 1.00 25.00 O ATOM 0 H GLU A 40 20.181 29.165 8.352 1.00 25.00 H new ATOM 0 HA GLU A 40 19.849 27.767 10.830 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.046 28.390 8.457 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.477 27.494 9.852 1.00 25.00 H new ATOM 0 HG2 GLU A 40 18.608 30.320 9.947 1.00 25.00 H new ATOM 0 HG3 GLU A 40 16.901 29.925 9.928 1.00 25.00 H new ATOM 600 N ARG A 41 19.624 26.026 7.997 1.00 25.00 N ATOM 601 CA ARG A 41 19.579 24.646 7.478 1.00 25.00 C ATOM 602 C ARG A 41 20.912 23.974 7.170 1.00 25.00 C ATOM 603 O ARG A 41 21.009 22.754 7.205 1.00 25.00 O ATOM 604 CB ARG A 41 18.719 24.603 6.222 1.00 25.00 C ATOM 605 CG ARG A 41 17.312 25.047 6.504 1.00 25.00 C ATOM 606 CD ARG A 41 16.340 24.624 5.409 1.00 25.00 C ATOM 607 NE ARG A 41 14.948 24.832 5.840 1.00 25.00 N ATOM 608 CZ ARG A 41 14.232 23.970 6.557 1.00 25.00 C ATOM 609 NH1 ARG A 41 14.714 22.825 6.972 1.00 25.00 N ATOM 610 NH2 ARG A 41 13.001 24.270 6.872 1.00 25.00 N ATOM 0 H ARG A 41 19.600 26.753 7.282 1.00 25.00 H new ATOM 0 HA ARG A 41 19.161 24.074 8.306 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.158 25.244 5.457 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.709 23.589 5.821 1.00 25.00 H new ATOM 0 HG2 ARG A 41 16.986 24.630 7.457 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.290 26.132 6.607 1.00 25.00 H new ATOM 0 HD2 ARG A 41 16.535 25.197 4.502 1.00 25.00 H new ATOM 0 HD3 ARG A 41 16.497 23.574 5.163 1.00 25.00 H new ATOM 0 HE ARG A 41 14.497 25.705 5.568 1.00 25.00 H new ATOM 0 HH11 ARG A 41 15.674 22.564 6.747 1.00 25.00 H new ATOM 0 HH12 ARG A 41 14.129 22.194 7.520 1.00 25.00 H new ATOM 0 HH21 ARG A 41 12.599 25.157 6.569 1.00 25.00 H new ATOM 0 HH22 ARG A 41 12.442 23.617 7.421 1.00 25.00 H new ATOM 624 N ASN A 42 21.920 24.760 6.834 1.00 25.00 N ATOM 625 CA ASN A 42 23.238 24.213 6.465 1.00 25.00 C ATOM 626 C ASN A 42 24.402 24.958 7.130 1.00 25.00 C ATOM 627 O ASN A 42 25.167 25.665 6.455 1.00 25.00 O ATOM 628 CB ASN A 42 23.426 24.263 4.942 1.00 25.00 C ATOM 629 CG ASN A 42 24.529 23.355 4.465 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.256 22.781 5.252 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.662 23.225 3.180 1.00 25.00 N ATOM 0 H ASN A 42 21.863 25.778 6.805 1.00 25.00 H new ATOM 0 HA ASN A 42 23.253 23.183 6.822 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.492 23.982 4.455 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.647 25.287 4.640 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.395 22.626 2.801 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.033 23.722 2.549 1.00 25.00 H new ATOM 638 N PRO A 43 24.584 24.788 8.452 1.00 25.00 N ATOM 639 CA PRO A 43 25.689 25.534 9.067 1.00 25.00 C ATOM 640 C PRO A 43 27.115 25.352 8.478 1.00 25.00 C ATOM 641 O PRO A 43 27.837 26.342 8.380 1.00 25.00 O ATOM 642 CB PRO A 43 25.615 25.130 10.552 1.00 25.00 C ATOM 643 CG PRO A 43 24.820 23.868 10.580 1.00 25.00 C ATOM 644 CD PRO A 43 23.839 23.998 9.452 1.00 25.00 C ATOM 0 HA PRO A 43 25.549 26.597 8.868 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.611 24.976 10.967 1.00 25.00 H new ATOM 0 HB3 PRO A 43 25.138 25.908 11.148 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.460 22.996 10.447 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.309 23.745 11.535 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.545 23.025 9.059 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.926 24.504 9.767 1.00 25.00 H new ATOM 652 N PRO A 44 27.530 24.136 8.023 1.00 25.00 N ATOM 653 CA PRO A 44 28.895 24.172 7.469 1.00 25.00 C ATOM 654 C PRO A 44 29.062 24.951 6.154 1.00 25.00 C ATOM 655 O PRO A 44 30.128 25.513 5.911 1.00 25.00 O ATOM 656 CB PRO A 44 29.224 22.696 7.267 1.00 25.00 C ATOM 657 CG PRO A 44 27.923 22.059 7.023 1.00 25.00 C ATOM 658 CD PRO A 44 26.987 22.760 7.973 1.00 25.00 C ATOM 0 HA PRO A 44 29.561 24.708 8.145 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.901 22.552 6.425 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.714 22.275 8.145 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.606 22.183 5.987 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.961 20.987 7.219 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.959 22.745 7.611 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.985 22.291 8.957 1.00 25.00 H new ATOM 666 N LEU A 45 28.044 25.011 5.300 1.00 25.00 N ATOM 667 CA LEU A 45 28.160 25.837 4.096 1.00 25.00 C ATOM 668 C LEU A 45 28.011 27.300 4.498 1.00 25.00 C ATOM 669 O LEU A 45 28.665 28.188 3.943 1.00 25.00 O ATOM 670 CB LEU A 45 27.129 25.452 3.037 1.00 25.00 C ATOM 671 CG LEU A 45 27.256 26.182 1.682 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.665 26.084 1.063 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.235 25.597 0.706 1.00 25.00 C ATOM 0 H LEU A 45 27.158 24.518 5.409 1.00 25.00 H new ATOM 0 HA LEU A 45 29.139 25.672 3.645 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.201 24.379 2.859 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.134 25.642 3.439 1.00 25.00 H new ATOM 0 HG LEU A 45 27.068 27.239 1.869 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.683 26.618 0.113 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.393 26.527 1.743 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.917 25.037 0.895 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.317 26.106 -0.254 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.429 24.533 0.570 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.230 25.734 1.105 1.00 25.00 H new ATOM 685 N ALA A 46 27.176 27.547 5.496 1.00 25.00 N ATOM 686 CA ALA A 46 26.982 28.904 5.981 1.00 25.00 C ATOM 687 C ALA A 46 28.251 29.508 6.583 1.00 25.00 C ATOM 688 O ALA A 46 28.604 30.614 6.237 1.00 25.00 O ATOM 689 CB ALA A 46 25.882 28.931 6.981 1.00 25.00 C ATOM 0 H ALA A 46 26.629 26.836 5.980 1.00 25.00 H new ATOM 0 HA ALA A 46 26.719 29.516 5.118 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.742 29.950 7.340 1.00 25.00 H new ATOM 0 HB2 ALA A 46 24.960 28.580 6.517 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.136 28.283 7.819 1.00 25.00 H new ATOM 695 N GLU A 47 28.935 28.803 7.476 1.00 25.00 N ATOM 696 CA GLU A 47 30.152 29.350 8.106 1.00 25.00 C ATOM 697 C GLU A 47 31.203 29.673 7.043 1.00 25.00 C ATOM 698 O GLU A 47 31.983 30.620 7.179 1.00 25.00 O ATOM 699 CB GLU A 47 30.729 28.395 9.167 1.00 25.00 C ATOM 700 CG GLU A 47 31.308 27.107 8.609 1.00 25.00 C ATOM 701 CD GLU A 47 31.991 26.270 9.671 1.00 25.00 C ATOM 702 OE1 GLU A 47 31.296 25.613 10.469 1.00 25.00 O ATOM 703 OE2 GLU A 47 33.247 26.263 9.692 1.00 25.00 O ATOM 0 H GLU A 47 28.681 27.864 7.783 1.00 25.00 H new ATOM 0 HA GLU A 47 29.872 30.271 8.617 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.508 28.918 9.722 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.942 28.146 9.879 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.511 26.524 8.148 1.00 25.00 H new ATOM 0 HG3 GLU A 47 32.024 27.345 7.822 1.00 25.00 H new ATOM 710 N ALA A 48 31.192 28.905 5.964 1.00 25.00 N ATOM 711 CA ALA A 48 32.089 29.108 4.854 1.00 25.00 C ATOM 712 C ALA A 48 31.827 30.470 4.205 1.00 25.00 C ATOM 713 O ALA A 48 32.761 31.219 3.899 1.00 25.00 O ATOM 714 CB ALA A 48 31.923 27.967 3.849 1.00 25.00 C ATOM 0 H ALA A 48 30.553 28.120 5.840 1.00 25.00 H new ATOM 0 HA ALA A 48 33.120 29.105 5.209 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.601 28.120 3.009 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.154 27.019 4.334 1.00 25.00 H new ATOM 0 HB3 ALA A 48 30.895 27.948 3.486 1.00 25.00 H new ATOM 720 N LEU A 49 30.551 30.802 4.070 1.00 25.00 N ATOM 721 CA LEU A 49 30.128 32.092 3.553 1.00 25.00 C ATOM 722 C LEU A 49 30.493 33.223 4.518 1.00 25.00 C ATOM 723 O LEU A 49 30.913 34.288 4.091 1.00 25.00 O ATOM 724 CB LEU A 49 28.604 32.091 3.368 1.00 25.00 C ATOM 725 CG LEU A 49 28.012 33.394 2.823 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.241 33.473 1.329 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.540 33.471 3.180 1.00 25.00 C ATOM 0 H LEU A 49 29.780 30.182 4.317 1.00 25.00 H new ATOM 0 HA LEU A 49 30.636 32.256 2.603 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.337 31.279 2.692 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.138 31.873 4.329 1.00 25.00 H new ATOM 0 HG LEU A 49 28.508 34.252 3.277 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.818 34.401 0.945 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.311 33.449 1.123 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.759 32.626 0.842 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.119 34.399 2.792 1.00 25.00 H new ATOM 0 HD22 LEU A 49 26.014 32.623 2.741 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.427 33.447 4.264 1.00 25.00 H new ATOM 739 N LEU A 50 30.294 33.003 5.811 1.00 25.00 N ATOM 740 CA LEU A 50 30.454 34.073 6.807 1.00 25.00 C ATOM 741 C LEU A 50 31.877 34.595 6.874 1.00 25.00 C ATOM 742 O LEU A 50 32.117 35.772 7.112 1.00 25.00 O ATOM 743 CB LEU A 50 30.054 33.597 8.209 1.00 25.00 C ATOM 744 CG LEU A 50 28.661 32.968 8.413 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.335 32.881 9.891 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.553 33.691 7.656 1.00 25.00 C ATOM 0 H LEU A 50 30.023 32.100 6.201 1.00 25.00 H new ATOM 0 HA LEU A 50 29.795 34.878 6.481 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.796 32.867 8.533 1.00 25.00 H new ATOM 0 HB3 LEU A 50 30.132 34.451 8.882 1.00 25.00 H new ATOM 0 HG LEU A 50 28.708 31.964 7.992 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.349 32.435 10.020 1.00 25.00 H new ATOM 0 HD12 LEU A 50 29.081 32.264 10.392 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.341 33.881 10.324 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.601 33.196 7.844 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.497 34.726 7.994 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.768 33.669 6.588 1.00 25.00 H new ATOM 758 N SER A 51 32.828 33.706 6.649 1.00 25.00 N ATOM 759 CA SER A 51 34.231 34.078 6.623 1.00 25.00 C ATOM 760 C SER A 51 34.587 34.853 5.355 1.00 25.00 C ATOM 761 O SER A 51 35.621 35.504 5.295 1.00 25.00 O ATOM 762 CB SER A 51 35.051 32.815 6.675 1.00 25.00 C ATOM 763 OG SER A 51 34.842 32.144 7.907 1.00 25.00 O ATOM 0 H SER A 51 32.652 32.715 6.481 1.00 25.00 H new ATOM 0 HA SER A 51 34.439 34.723 7.477 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.778 32.162 5.846 1.00 25.00 H new ATOM 0 HB3 SER A 51 36.108 33.054 6.558 1.00 25.00 H new ATOM 0 HG SER A 51 34.026 31.604 7.851 1.00 25.00 H new ATOM 769 N GLY A 52 33.745 34.743 4.339 1.00 25.00 N ATOM 770 CA GLY A 52 33.961 35.446 3.085 1.00 25.00 C ATOM 771 C GLY A 52 34.893 34.717 2.144 1.00 25.00 C ATOM 772 O GLY A 52 34.948 35.028 0.947 1.00 25.00 O ATOM 0 H GLY A 52 32.901 34.170 4.360 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.001 35.596 2.591 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.369 36.434 3.296 1.00 25.00 H new ATOM 776 N ASP A 53 35.638 33.755 2.668 1.00 25.00 N ATOM 777 CA ASP A 53 36.612 33.020 1.874 1.00 25.00 C ATOM 778 C ASP A 53 35.950 32.198 0.781 1.00 25.00 C ATOM 779 O ASP A 53 35.208 31.254 1.049 1.00 25.00 O ATOM 780 CB ASP A 53 37.473 32.120 2.749 1.00 25.00 C ATOM 781 CG ASP A 53 38.931 32.312 2.486 1.00 25.00 C ATOM 782 OD1 ASP A 53 39.286 32.486 1.303 1.00 25.00 O ATOM 783 OD2 ASP A 53 39.724 32.266 3.446 1.00 25.00 O ATOM 0 H ASP A 53 35.586 33.464 3.644 1.00 25.00 H new ATOM 0 HA ASP A 53 37.251 33.764 1.399 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.264 32.327 3.798 1.00 25.00 H new ATOM 0 HB3 ASP A 53 37.207 31.078 2.570 1.00 25.00 H new ATOM 788 N LEU A 54 36.227 32.544 -0.464 1.00 25.00 N ATOM 789 CA LEU A 54 35.673 31.790 -1.578 1.00 25.00 C ATOM 790 C LEU A 54 36.268 30.401 -1.544 1.00 25.00 C ATOM 791 O LEU A 54 35.594 29.431 -1.849 1.00 25.00 O ATOM 792 CB LEU A 54 35.982 32.467 -2.917 1.00 25.00 C ATOM 793 CG LEU A 54 35.404 31.835 -4.206 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.319 30.763 -4.806 1.00 25.00 C ATOM 795 CD2 LEU A 54 33.977 31.278 -4.040 1.00 25.00 C ATOM 0 H LEU A 54 36.822 33.329 -0.728 1.00 25.00 H new ATOM 0 HA LEU A 54 34.588 31.744 -1.483 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.624 33.495 -2.861 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.066 32.512 -3.025 1.00 25.00 H new ATOM 0 HG LEU A 54 35.347 32.668 -4.906 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.861 30.356 -5.708 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.283 31.206 -5.057 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.466 29.962 -4.081 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.641 30.852 -4.985 1.00 25.00 H new ATOM 0 HD22 LEU A 54 33.975 30.504 -3.272 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.304 32.083 -3.745 1.00 25.00 H new ATOM 807 N GLU A 55 37.519 30.298 -1.131 1.00 25.00 N ATOM 808 CA GLU A 55 38.185 29.000 -1.072 1.00 25.00 C ATOM 809 C GLU A 55 37.391 28.024 -0.230 1.00 25.00 C ATOM 810 O GLU A 55 37.101 26.899 -0.649 1.00 25.00 O ATOM 811 CB GLU A 55 39.585 29.141 -0.476 1.00 25.00 C ATOM 812 CG GLU A 55 40.405 30.184 -1.179 1.00 25.00 C ATOM 813 CD GLU A 55 41.896 29.930 -1.059 1.00 25.00 C ATOM 814 OE1 GLU A 55 42.319 29.266 -0.087 1.00 25.00 O ATOM 815 OE2 GLU A 55 42.640 30.332 -1.977 1.00 25.00 O ATOM 0 H GLU A 55 38.093 31.087 -0.833 1.00 25.00 H new ATOM 0 HA GLU A 55 38.258 28.621 -2.091 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.503 29.398 0.580 1.00 25.00 H new ATOM 0 HB3 GLU A 55 40.099 28.181 -0.531 1.00 25.00 H new ATOM 0 HG2 GLU A 55 40.128 30.210 -2.233 1.00 25.00 H new ATOM 0 HG3 GLU A 55 40.172 31.165 -0.764 1.00 25.00 H new ATOM 822 N LYS A 56 36.996 28.463 0.954 1.00 25.00 N ATOM 823 CA LYS A 56 36.224 27.592 1.836 1.00 25.00 C ATOM 824 C LYS A 56 34.781 27.458 1.368 1.00 25.00 C ATOM 825 O LYS A 56 34.240 26.369 1.422 1.00 25.00 O ATOM 826 CB LYS A 56 36.346 28.010 3.316 1.00 25.00 C ATOM 827 CG LYS A 56 35.598 29.212 3.762 1.00 25.00 C ATOM 828 CD LYS A 56 36.166 29.717 5.099 1.00 25.00 C ATOM 829 CE LYS A 56 35.617 28.955 6.322 1.00 25.00 C ATOM 830 NZ LYS A 56 36.149 29.494 7.622 1.00 25.00 N ATOM 0 H LYS A 56 37.189 29.394 1.324 1.00 25.00 H new ATOM 0 HA LYS A 56 36.659 26.594 1.774 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.023 27.169 3.929 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.402 28.174 3.531 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.669 29.996 3.008 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.541 28.972 3.874 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.252 29.627 5.081 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.935 30.777 5.207 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.529 29.015 6.325 1.00 25.00 H new ATOM 0 HE3 LYS A 56 35.877 27.900 6.236 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.904 28.842 8.394 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 37.183 29.587 7.562 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.728 30.426 7.810 1.00 25.00 H new ATOM 844 N PHE A 57 34.178 28.521 0.851 1.00 25.00 N ATOM 845 CA PHE A 57 32.804 28.423 0.337 1.00 25.00 C ATOM 846 C PHE A 57 32.723 27.405 -0.796 1.00 25.00 C ATOM 847 O PHE A 57 31.869 26.534 -0.785 1.00 25.00 O ATOM 848 CB PHE A 57 32.292 29.788 -0.145 1.00 25.00 C ATOM 849 CG PHE A 57 30.892 29.739 -0.720 1.00 25.00 C ATOM 850 CD1 PHE A 57 29.762 29.801 0.116 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.703 29.615 -2.111 1.00 25.00 C ATOM 852 CE1 PHE A 57 28.448 29.741 -0.435 1.00 25.00 C ATOM 853 CE2 PHE A 57 29.399 29.554 -2.671 1.00 25.00 C ATOM 854 CZ PHE A 57 28.273 29.624 -1.847 1.00 25.00 C ATOM 0 H PHE A 57 34.602 29.446 0.774 1.00 25.00 H new ATOM 0 HA PHE A 57 32.168 28.089 1.157 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.309 30.489 0.690 1.00 25.00 H new ATOM 0 HB3 PHE A 57 32.974 30.176 -0.902 1.00 25.00 H new ATOM 0 HD1 PHE A 57 29.891 29.895 1.184 1.00 25.00 H new ATOM 0 HD2 PHE A 57 31.564 29.566 -2.762 1.00 25.00 H new ATOM 0 HE1 PHE A 57 27.587 29.784 0.215 1.00 25.00 H new ATOM 0 HE2 PHE A 57 29.277 29.453 -3.739 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.281 29.590 -2.273 1.00 25.00 H new ATOM 864 N SER A 58 33.634 27.499 -1.755 1.00 25.00 N ATOM 865 CA SER A 58 33.653 26.610 -2.906 1.00 25.00 C ATOM 866 C SER A 58 33.976 25.188 -2.491 1.00 25.00 C ATOM 867 O SER A 58 33.354 24.247 -2.948 1.00 25.00 O ATOM 868 CB SER A 58 34.705 27.090 -3.906 1.00 25.00 C ATOM 869 OG SER A 58 34.724 26.267 -5.056 1.00 25.00 O ATOM 0 H SER A 58 34.380 28.194 -1.756 1.00 25.00 H new ATOM 0 HA SER A 58 32.664 26.624 -3.364 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.494 28.120 -4.195 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.688 27.086 -3.435 1.00 25.00 H new ATOM 0 HG SER A 58 35.404 26.595 -5.682 1.00 25.00 H new ATOM 875 N ARG A 59 34.940 25.024 -1.601 1.00 25.00 N ATOM 876 CA ARG A 59 35.329 23.683 -1.177 1.00 25.00 C ATOM 877 C ARG A 59 34.179 22.987 -0.468 1.00 25.00 C ATOM 878 O ARG A 59 33.888 21.840 -0.754 1.00 25.00 O ATOM 879 CB ARG A 59 36.550 23.744 -0.272 1.00 25.00 C ATOM 880 CG ARG A 59 37.091 22.351 0.085 1.00 25.00 C ATOM 881 CD ARG A 59 37.016 22.052 1.569 1.00 25.00 C ATOM 882 NE ARG A 59 38.127 22.686 2.296 1.00 25.00 N ATOM 883 CZ ARG A 59 38.514 22.372 3.529 1.00 25.00 C ATOM 884 NH1 ARG A 59 37.915 21.444 4.235 1.00 25.00 N ATOM 885 NH2 ARG A 59 39.527 22.996 4.053 1.00 25.00 N ATOM 0 H ARG A 59 35.461 25.784 -1.163 1.00 25.00 H new ATOM 0 HA ARG A 59 35.583 23.105 -2.066 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.334 24.319 -0.764 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.292 24.275 0.644 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.526 21.596 -0.462 1.00 25.00 H new ATOM 0 HG3 ARG A 59 38.127 22.274 -0.244 1.00 25.00 H new ATOM 0 HD2 ARG A 59 36.066 22.409 1.967 1.00 25.00 H new ATOM 0 HD3 ARG A 59 37.042 20.974 1.727 1.00 25.00 H new ATOM 0 HE ARG A 59 38.641 23.425 1.816 1.00 25.00 H new ATOM 0 HH11 ARG A 59 37.123 20.935 3.841 1.00 25.00 H new ATOM 0 HH12 ARG A 59 38.240 21.231 5.178 1.00 25.00 H new ATOM 0 HH21 ARG A 59 40.014 23.716 3.519 1.00 25.00 H new ATOM 0 HH22 ARG A 59 39.835 22.766 4.998 1.00 25.00 H new ATOM 899 N VAL A 60 33.504 23.685 0.431 1.00 25.00 N ATOM 900 CA VAL A 60 32.377 23.090 1.136 1.00 25.00 C ATOM 901 C VAL A 60 31.250 22.845 0.141 1.00 25.00 C ATOM 902 O VAL A 60 30.563 21.846 0.240 1.00 25.00 O ATOM 903 CB VAL A 60 31.900 23.961 2.333 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.688 23.320 3.016 1.00 25.00 C ATOM 905 CG2 VAL A 60 33.029 24.096 3.375 1.00 25.00 C ATOM 0 H VAL A 60 33.711 24.650 0.688 1.00 25.00 H new ATOM 0 HA VAL A 60 32.697 22.142 1.568 1.00 25.00 H new ATOM 0 HB VAL A 60 31.627 24.943 1.945 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.369 23.944 3.851 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.872 23.228 2.299 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.959 22.331 3.385 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.684 24.708 4.208 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.306 23.107 3.741 1.00 25.00 H new ATOM 0 HG23 VAL A 60 33.896 24.568 2.913 1.00 25.00 H new ATOM 915 N LEU A 61 31.099 23.709 -0.856 1.00 25.00 N ATOM 916 CA LEU A 61 30.092 23.498 -1.897 1.00 25.00 C ATOM 917 C LEU A 61 30.291 22.147 -2.579 1.00 25.00 C ATOM 918 O LEU A 61 29.336 21.407 -2.772 1.00 25.00 O ATOM 919 CB LEU A 61 30.169 24.601 -2.960 1.00 25.00 C ATOM 920 CG LEU A 61 28.851 24.904 -3.668 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.112 25.954 -2.880 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.074 25.441 -5.056 1.00 25.00 C ATOM 0 H LEU A 61 31.655 24.557 -0.968 1.00 25.00 H new ATOM 0 HA LEU A 61 29.115 23.523 -1.415 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.530 25.515 -2.489 1.00 25.00 H new ATOM 0 HB3 LEU A 61 30.909 24.314 -3.707 1.00 25.00 H new ATOM 0 HG LEU A 61 28.285 23.975 -3.738 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.167 26.182 -3.374 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.916 25.583 -1.874 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.718 26.858 -2.821 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.112 25.644 -5.526 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.653 26.363 -5.001 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.619 24.705 -5.648 1.00 25.00 H new ATOM 934 N VAL A 62 31.530 21.817 -2.918 1.00 25.00 N ATOM 935 CA VAL A 62 31.833 20.535 -3.567 1.00 25.00 C ATOM 936 C VAL A 62 31.542 19.384 -2.617 1.00 25.00 C ATOM 937 O VAL A 62 30.938 18.392 -3.002 1.00 25.00 O ATOM 938 CB VAL A 62 33.325 20.460 -4.021 1.00 25.00 C ATOM 939 CG1 VAL A 62 33.657 19.085 -4.625 1.00 25.00 C ATOM 940 CG2 VAL A 62 33.613 21.536 -5.054 1.00 25.00 C ATOM 0 H VAL A 62 32.343 22.412 -2.758 1.00 25.00 H new ATOM 0 HA VAL A 62 31.198 20.458 -4.450 1.00 25.00 H new ATOM 0 HB VAL A 62 33.946 20.615 -3.139 1.00 25.00 H new ATOM 0 HG11 VAL A 62 34.703 19.065 -4.931 1.00 25.00 H new ATOM 0 HG12 VAL A 62 33.482 18.309 -3.880 1.00 25.00 H new ATOM 0 HG13 VAL A 62 33.022 18.906 -5.492 1.00 25.00 H new ATOM 0 HG21 VAL A 62 34.656 21.474 -5.363 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.969 21.390 -5.921 1.00 25.00 H new ATOM 0 HG23 VAL A 62 33.421 22.517 -4.620 1.00 25.00 H new ATOM 950 N GLU A 63 31.943 19.522 -1.367 1.00 25.00 N ATOM 951 CA GLU A 63 31.690 18.466 -0.376 1.00 25.00 C ATOM 952 C GLU A 63 30.188 18.240 -0.173 1.00 25.00 C ATOM 953 O GLU A 63 29.731 17.102 -0.082 1.00 25.00 O ATOM 954 CB GLU A 63 32.352 18.796 0.968 1.00 25.00 C ATOM 955 CG GLU A 63 33.879 18.839 0.905 1.00 25.00 C ATOM 956 CD GLU A 63 34.475 17.569 0.313 1.00 25.00 C ATOM 957 OE1 GLU A 63 35.196 17.668 -0.705 1.00 25.00 O ATOM 958 OE2 GLU A 63 34.218 16.477 0.852 1.00 25.00 O ATOM 0 H GLU A 63 32.439 20.338 -1.007 1.00 25.00 H new ATOM 0 HA GLU A 63 32.130 17.548 -0.767 1.00 25.00 H new ATOM 0 HB2 GLU A 63 31.984 19.761 1.317 1.00 25.00 H new ATOM 0 HB3 GLU A 63 32.048 18.053 1.705 1.00 25.00 H new ATOM 0 HG2 GLU A 63 34.191 19.695 0.307 1.00 25.00 H new ATOM 0 HG3 GLU A 63 34.277 18.989 1.909 1.00 25.00 H new