USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 641 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 79 ASN : amide:sc= 0.106 X(o=0.4,f=0.85) USER MOD Set 1.2: A 82 SER OG : rot -170:sc= 0.294 USER MOD Set 2.1: A 48 MET CE :methyl 172:sc= -0.585 (180deg=-0.238) USER MOD Set 2.2: A 90 MET CE :methyl 179:sc= -0.493 (180deg=-0.484) USER MOD Single : A 30 ASN : amide:sc= -0.0107 K(o=-0.011,f=-1.6) USER MOD Single : A 34 TYR OH : rot 63:sc= 1.24 USER MOD Single : A 35 HIS : no HE2:sc= -1.87! C(o=-1.9!,f=-6.5!) USER MOD Single : A 38 GLN : amide:sc=-0.00138 K(o=-0.0014,f=-0.98) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 47 GLN : amide:sc= -0.0978 K(o=-0.098,f=-1.4) USER MOD Single : A 50 MET CE :methyl -179:sc= -0.117 (180deg=-0.119) USER MOD Single : A 54 ASN : amide:sc= 1.06 K(o=1.1,f=-0.51) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -167:sc= 1.22 (180deg=0.887) USER MOD Single : A 64 LYS NZ :NH3+ -171:sc=-0.00754 (180deg=-0.12) USER MOD Single : A 65 GLN : amide:sc= 1.04 K(o=1,f=-0.0096) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 69 SER OG : rot 180:sc= 0.24 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -160:sc= 0 USER MOD Single : A 77 TYR OH : rot -149:sc= 0.556 USER MOD Single : A 84 GLN : amide:sc= -0.922 X(o=-0.92,f=-0.83) USER MOD Single : A 88 GLN : amide:sc= -0.22 K(o=-0.22,f=-1.4) USER MOD Single : A 91 ASN : amide:sc=-0.00346 K(o=-0.0035,f=-1.5) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 97 MET CE :methyl -164:sc= -0.0229 (180deg=-0.327) USER MOD Single : A 98 LYS NZ :NH3+ 162:sc= -0.0383 (180deg=-0.357) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.376 X(o=-0.38,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 166:sc= -0.0135 (180deg=-0.268) USER MOD ----------------------------------------------------------------- ATOM 344 N GLU A 24 13.742 10.314 -29.300 1.00 0.00 N ATOM 345 CA GLU A 24 12.301 10.163 -29.427 1.00 0.00 C ATOM 346 C GLU A 24 11.764 11.040 -30.558 1.00 0.00 C ATOM 347 O GLU A 24 12.319 12.101 -30.847 1.00 0.00 O ATOM 348 CB GLU A 24 11.614 10.529 -28.110 1.00 0.00 C ATOM 349 CG GLU A 24 12.188 9.727 -26.938 1.00 0.00 C ATOM 350 CD GLU A 24 11.415 9.962 -25.638 1.00 0.00 C ATOM 351 OE1 GLU A 24 10.481 10.794 -25.649 1.00 0.00 O ATOM 352 OE2 GLU A 24 11.766 9.301 -24.635 1.00 0.00 O ATOM 0 HA GLU A 24 12.085 9.121 -29.664 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.737 11.595 -27.918 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.543 10.341 -28.192 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.168 8.665 -27.183 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.233 10.000 -26.791 1.00 0.00 H new ATOM 359 N GLY A 25 10.682 10.587 -31.196 1.00 0.00 N ATOM 360 CA GLY A 25 10.016 11.316 -32.267 1.00 0.00 C ATOM 361 C GLY A 25 8.886 12.187 -31.725 1.00 0.00 C ATOM 362 O GLY A 25 8.693 12.266 -30.512 1.00 0.00 O ATOM 0 H GLY A 25 10.242 9.693 -30.978 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.740 11.940 -32.790 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.617 10.611 -32.996 1.00 0.00 H new ATOM 366 N PRO A 26 8.130 12.848 -32.612 1.00 0.00 N ATOM 367 CA PRO A 26 6.977 13.646 -32.241 1.00 0.00 C ATOM 368 C PRO A 26 5.851 12.736 -31.751 1.00 0.00 C ATOM 369 O PRO A 26 5.902 11.520 -31.930 1.00 0.00 O ATOM 370 CB PRO A 26 6.582 14.388 -33.519 1.00 0.00 C ATOM 371 CG PRO A 26 7.036 13.443 -34.630 1.00 0.00 C ATOM 372 CD PRO A 26 8.320 12.849 -34.053 1.00 0.00 C ATOM 0 HA PRO A 26 7.188 14.342 -31.429 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.509 14.572 -33.562 1.00 0.00 H new ATOM 0 HB3 PRO A 26 7.075 15.358 -33.590 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.291 12.675 -34.839 1.00 0.00 H new ATOM 0 HG3 PRO A 26 7.218 13.973 -35.565 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.489 11.840 -34.428 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.189 13.443 -34.334 1.00 0.00 H new ATOM 380 N GLU A 27 4.825 13.318 -31.130 1.00 0.00 N ATOM 381 CA GLU A 27 3.699 12.537 -30.635 1.00 0.00 C ATOM 382 C GLU A 27 2.988 11.847 -31.797 1.00 0.00 C ATOM 383 O GLU A 27 2.763 12.450 -32.847 1.00 0.00 O ATOM 384 CB GLU A 27 2.770 13.438 -29.813 1.00 0.00 C ATOM 385 CG GLU A 27 1.584 12.670 -29.219 1.00 0.00 C ATOM 386 CD GLU A 27 0.374 12.562 -30.148 1.00 0.00 C ATOM 387 OE1 GLU A 27 0.363 13.233 -31.203 1.00 0.00 O ATOM 388 OE2 GLU A 27 -0.550 11.795 -29.788 1.00 0.00 O ATOM 0 H GLU A 27 4.753 14.321 -30.960 1.00 0.00 H new ATOM 0 HA GLU A 27 4.050 11.747 -29.971 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.339 13.902 -29.007 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.397 14.244 -30.445 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.913 11.666 -28.953 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.275 13.160 -28.295 1.00 0.00 H new ATOM 395 N GLY A 28 2.638 10.572 -31.604 1.00 0.00 N ATOM 396 CA GLY A 28 1.930 9.791 -32.603 1.00 0.00 C ATOM 397 C GLY A 28 2.884 9.053 -33.538 1.00 0.00 C ATOM 398 O GLY A 28 2.456 8.198 -34.311 1.00 0.00 O ATOM 0 H GLY A 28 2.841 10.058 -30.747 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.281 9.070 -32.106 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.287 10.449 -33.188 1.00 0.00 H new ATOM 402 N ALA A 29 4.180 9.377 -33.471 1.00 0.00 N ATOM 403 CA ALA A 29 5.208 8.702 -34.250 1.00 0.00 C ATOM 404 C ALA A 29 5.870 7.586 -33.440 1.00 0.00 C ATOM 405 O ALA A 29 6.848 6.985 -33.881 1.00 0.00 O ATOM 406 CB ALA A 29 6.233 9.736 -34.712 1.00 0.00 C ATOM 0 H ALA A 29 4.540 10.119 -32.871 1.00 0.00 H new ATOM 0 HA ALA A 29 4.753 8.232 -35.122 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.009 9.243 -35.297 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.739 10.489 -35.326 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.683 10.215 -33.843 1.00 0.00 H new ATOM 412 N ASN A 30 5.335 7.314 -32.246 1.00 0.00 N ATOM 413 CA ASN A 30 5.882 6.338 -31.321 1.00 0.00 C ATOM 414 C ASN A 30 5.227 4.982 -31.591 1.00 0.00 C ATOM 415 O ASN A 30 4.051 4.932 -31.946 1.00 0.00 O ATOM 416 CB ASN A 30 5.582 6.804 -29.894 1.00 0.00 C ATOM 417 CG ASN A 30 5.530 8.324 -29.783 1.00 0.00 C ATOM 418 OD1 ASN A 30 4.452 8.910 -29.730 1.00 0.00 O ATOM 419 ND2 ASN A 30 6.687 8.971 -29.750 1.00 0.00 N ATOM 0 H ASN A 30 4.496 7.778 -31.897 1.00 0.00 H new ATOM 0 HA ASN A 30 6.960 6.241 -31.449 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.629 6.385 -29.570 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.346 6.418 -29.219 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.701 9.988 -29.678 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.563 8.451 -29.796 1.00 0.00 H new ATOM 426 N LEU A 31 5.968 3.885 -31.428 1.00 0.00 N ATOM 427 CA LEU A 31 5.446 2.553 -31.684 1.00 0.00 C ATOM 428 C LEU A 31 5.845 1.538 -30.616 1.00 0.00 C ATOM 429 O LEU A 31 6.884 1.648 -29.968 1.00 0.00 O ATOM 430 CB LEU A 31 5.935 2.085 -33.055 1.00 0.00 C ATOM 431 CG LEU A 31 4.783 1.746 -34.005 1.00 0.00 C ATOM 432 CD1 LEU A 31 3.898 2.963 -34.249 1.00 0.00 C ATOM 433 CD2 LEU A 31 5.386 1.304 -35.335 1.00 0.00 C ATOM 0 H LEU A 31 6.939 3.900 -31.117 1.00 0.00 H new ATOM 0 HA LEU A 31 4.358 2.616 -31.660 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.553 2.864 -33.502 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.569 1.207 -32.931 1.00 0.00 H new ATOM 0 HG LEU A 31 4.172 0.960 -33.562 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.088 2.694 -34.927 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.480 3.305 -33.302 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.492 3.762 -34.693 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.586 1.056 -36.033 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.989 2.113 -35.748 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.014 0.427 -35.176 1.00 0.00 H new ATOM 445 N PHE A 32 4.973 0.542 -30.466 1.00 0.00 N ATOM 446 CA PHE A 32 5.133 -0.626 -29.621 1.00 0.00 C ATOM 447 C PHE A 32 5.127 -1.946 -30.364 1.00 0.00 C ATOM 448 O PHE A 32 4.413 -2.088 -31.350 1.00 0.00 O ATOM 449 CB PHE A 32 4.153 -0.637 -28.452 1.00 0.00 C ATOM 450 CG PHE A 32 4.640 0.116 -27.245 1.00 0.00 C ATOM 451 CD1 PHE A 32 4.782 1.510 -27.284 1.00 0.00 C ATOM 452 CD2 PHE A 32 4.957 -0.598 -26.085 1.00 0.00 C ATOM 453 CE1 PHE A 32 5.259 2.180 -26.151 1.00 0.00 C ATOM 454 CE2 PHE A 32 5.412 0.075 -24.948 1.00 0.00 C ATOM 455 CZ PHE A 32 5.572 1.468 -24.983 1.00 0.00 C ATOM 0 H PHE A 32 4.083 0.535 -30.965 1.00 0.00 H new ATOM 0 HA PHE A 32 6.139 -0.528 -29.213 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.206 -0.207 -28.779 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.952 -1.670 -28.168 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.527 2.061 -28.177 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.850 -1.673 -26.068 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.387 3.252 -26.176 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.639 -0.475 -24.047 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.936 1.992 -24.112 1.00 0.00 H new ATOM 465 N ILE A 33 5.919 -2.911 -29.893 1.00 0.00 N ATOM 466 CA ILE A 33 6.018 -4.217 -30.513 1.00 0.00 C ATOM 467 C ILE A 33 6.058 -5.264 -29.408 1.00 0.00 C ATOM 468 O ILE A 33 6.757 -5.076 -28.416 1.00 0.00 O ATOM 469 CB ILE A 33 7.271 -4.296 -31.400 1.00 0.00 C ATOM 470 CG1 ILE A 33 7.431 -3.103 -32.356 1.00 0.00 C ATOM 471 CG2 ILE A 33 7.209 -5.579 -32.231 1.00 0.00 C ATOM 472 CD1 ILE A 33 8.154 -1.916 -31.716 1.00 0.00 C ATOM 0 H ILE A 33 6.508 -2.800 -29.068 1.00 0.00 H new ATOM 0 HA ILE A 33 5.156 -4.398 -31.156 1.00 0.00 H new ATOM 0 HB ILE A 33 8.129 -4.283 -30.728 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.983 -3.424 -33.239 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.446 -2.782 -32.695 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.094 -5.645 -32.864 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.173 -6.442 -31.566 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.316 -5.565 -32.856 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.236 -1.106 -32.441 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.591 -1.571 -30.849 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.151 -2.224 -31.402 1.00 0.00 H new ATOM 484 N TYR A 34 5.321 -6.365 -29.567 1.00 0.00 N ATOM 485 CA TYR A 34 5.267 -7.418 -28.559 1.00 0.00 C ATOM 486 C TYR A 34 5.297 -8.755 -29.306 1.00 0.00 C ATOM 487 O TYR A 34 5.324 -8.800 -30.533 1.00 0.00 O ATOM 488 CB TYR A 34 3.945 -7.304 -27.787 1.00 0.00 C ATOM 489 CG TYR A 34 3.511 -5.907 -27.392 1.00 0.00 C ATOM 490 CD1 TYR A 34 3.943 -5.352 -26.177 1.00 0.00 C ATOM 491 CD2 TYR A 34 2.663 -5.171 -28.233 1.00 0.00 C ATOM 492 CE1 TYR A 34 3.521 -4.069 -25.799 1.00 0.00 C ATOM 493 CE2 TYR A 34 2.217 -3.898 -27.849 1.00 0.00 C ATOM 494 CZ TYR A 34 2.645 -3.341 -26.627 1.00 0.00 C ATOM 495 OH TYR A 34 2.212 -2.107 -26.243 1.00 0.00 O ATOM 0 H TYR A 34 4.750 -6.548 -30.392 1.00 0.00 H new ATOM 0 HA TYR A 34 6.099 -7.339 -27.860 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.156 -7.747 -28.394 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.026 -7.905 -26.881 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.602 -5.914 -25.532 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.352 -5.586 -29.180 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.868 -3.639 -24.871 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.546 -3.345 -28.489 1.00 0.00 H new ATOM 0 HH TYR A 34 2.977 -1.497 -26.179 1.00 0.00 H new ATOM 505 N HIS A 35 5.287 -9.846 -28.531 1.00 0.00 N ATOM 506 CA HIS A 35 5.349 -11.224 -29.012 1.00 0.00 C ATOM 507 C HIS A 35 6.661 -11.543 -29.727 1.00 0.00 C ATOM 508 O HIS A 35 6.744 -12.547 -30.436 1.00 0.00 O ATOM 509 CB HIS A 35 4.137 -11.563 -29.882 1.00 0.00 C ATOM 510 CG HIS A 35 2.790 -11.278 -29.270 1.00 0.00 C ATOM 511 ND1 HIS A 35 1.572 -11.434 -29.909 1.00 0.00 N ATOM 512 CD2 HIS A 35 2.534 -10.835 -28.002 1.00 0.00 C ATOM 513 CE1 HIS A 35 0.599 -11.105 -29.042 1.00 0.00 C ATOM 514 NE2 HIS A 35 1.163 -10.745 -27.872 1.00 0.00 N ATOM 0 H HIS A 35 5.233 -9.787 -27.514 1.00 0.00 H new ATOM 0 HA HIS A 35 5.319 -11.864 -28.130 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.216 -11.006 -30.815 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.182 -12.622 -30.138 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.436 -11.745 -30.871 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.267 -10.600 -27.245 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.461 -11.126 -29.249 1.00 0.00 H new ATOM 523 N LEU A 36 7.686 -10.704 -29.556 1.00 0.00 N ATOM 524 CA LEU A 36 8.976 -10.915 -30.189 1.00 0.00 C ATOM 525 C LEU A 36 9.665 -12.139 -29.588 1.00 0.00 C ATOM 526 O LEU A 36 9.562 -12.371 -28.385 1.00 0.00 O ATOM 527 CB LEU A 36 9.866 -9.685 -29.983 1.00 0.00 C ATOM 528 CG LEU A 36 9.301 -8.426 -30.649 1.00 0.00 C ATOM 529 CD1 LEU A 36 10.128 -7.221 -30.212 1.00 0.00 C ATOM 530 CD2 LEU A 36 9.378 -8.556 -32.167 1.00 0.00 C ATOM 0 H LEU A 36 7.639 -9.866 -28.977 1.00 0.00 H new ATOM 0 HA LEU A 36 8.817 -11.078 -31.255 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.985 -9.503 -28.915 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.859 -9.889 -30.385 1.00 0.00 H new ATOM 0 HG LEU A 36 8.260 -8.299 -30.352 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.734 -6.320 -30.681 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.077 -7.118 -29.128 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.166 -7.363 -30.514 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.974 -7.656 -32.630 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.417 -8.684 -32.469 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.798 -9.421 -32.488 1.00 0.00 H new ATOM 542 N PRO A 37 10.374 -12.927 -30.407 1.00 0.00 N ATOM 543 CA PRO A 37 11.184 -14.029 -29.932 1.00 0.00 C ATOM 544 C PRO A 37 12.422 -13.484 -29.217 1.00 0.00 C ATOM 545 O PRO A 37 12.737 -12.300 -29.323 1.00 0.00 O ATOM 546 CB PRO A 37 11.547 -14.829 -31.183 1.00 0.00 C ATOM 547 CG PRO A 37 11.575 -13.754 -32.268 1.00 0.00 C ATOM 548 CD PRO A 37 10.457 -12.800 -31.849 1.00 0.00 C ATOM 0 HA PRO A 37 10.666 -14.660 -29.210 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.511 -15.327 -31.080 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.810 -15.603 -31.398 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.540 -13.249 -32.309 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.394 -14.176 -33.257 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.683 -11.775 -32.142 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.513 -13.067 -32.323 1.00 0.00 H new ATOM 556 N GLN A 38 13.127 -14.351 -28.487 1.00 0.00 N ATOM 557 CA GLN A 38 14.256 -13.943 -27.665 1.00 0.00 C ATOM 558 C GLN A 38 15.475 -13.547 -28.506 1.00 0.00 C ATOM 559 O GLN A 38 16.411 -12.936 -27.990 1.00 0.00 O ATOM 560 CB GLN A 38 14.583 -15.084 -26.696 1.00 0.00 C ATOM 561 CG GLN A 38 15.765 -14.747 -25.782 1.00 0.00 C ATOM 562 CD GLN A 38 15.885 -15.723 -24.618 1.00 0.00 C ATOM 563 OE1 GLN A 38 15.129 -16.687 -24.512 1.00 0.00 O ATOM 564 NE2 GLN A 38 16.846 -15.479 -23.730 1.00 0.00 N ATOM 0 H GLN A 38 12.928 -15.351 -28.452 1.00 0.00 H new ATOM 0 HA GLN A 38 13.985 -13.049 -27.104 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.706 -15.303 -26.087 1.00 0.00 H new ATOM 0 HB3 GLN A 38 14.811 -15.986 -27.264 1.00 0.00 H new ATOM 0 HG2 GLN A 38 16.687 -14.761 -26.363 1.00 0.00 H new ATOM 0 HG3 GLN A 38 15.647 -13.735 -25.395 1.00 0.00 H new ATOM 0 HE21 GLN A 38 17.456 -14.670 -23.848 1.00 0.00 H new ATOM 0 HE22 GLN A 38 16.972 -16.101 -22.932 1.00 0.00 H new ATOM 573 N GLU A 39 15.479 -13.886 -29.798 1.00 0.00 N ATOM 574 CA GLU A 39 16.605 -13.585 -30.676 1.00 0.00 C ATOM 575 C GLU A 39 16.643 -12.112 -31.090 1.00 0.00 C ATOM 576 O GLU A 39 17.629 -11.669 -31.673 1.00 0.00 O ATOM 577 CB GLU A 39 16.562 -14.505 -31.903 1.00 0.00 C ATOM 578 CG GLU A 39 15.266 -14.338 -32.698 1.00 0.00 C ATOM 579 CD GLU A 39 15.183 -15.305 -33.878 1.00 0.00 C ATOM 580 OE1 GLU A 39 16.183 -16.008 -34.142 1.00 0.00 O ATOM 581 OE2 GLU A 39 14.107 -15.336 -34.516 1.00 0.00 O ATOM 0 H GLU A 39 14.709 -14.372 -30.258 1.00 0.00 H new ATOM 0 HA GLU A 39 17.524 -13.771 -30.120 1.00 0.00 H new ATOM 0 HB2 GLU A 39 17.414 -14.289 -32.548 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.660 -15.542 -31.582 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.414 -14.499 -32.038 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.196 -13.314 -33.064 1.00 0.00 H new ATOM 588 N PHE A 40 15.584 -11.344 -30.798 1.00 0.00 N ATOM 589 CA PHE A 40 15.566 -9.911 -31.056 1.00 0.00 C ATOM 590 C PHE A 40 16.462 -9.063 -30.156 1.00 0.00 C ATOM 591 O PHE A 40 16.825 -9.484 -29.056 1.00 0.00 O ATOM 592 CB PHE A 40 14.148 -9.347 -31.176 1.00 0.00 C ATOM 593 CG PHE A 40 13.475 -9.552 -32.520 1.00 0.00 C ATOM 594 CD1 PHE A 40 12.889 -8.464 -33.188 1.00 0.00 C ATOM 595 CD2 PHE A 40 13.431 -10.828 -33.103 1.00 0.00 C ATOM 596 CE1 PHE A 40 12.251 -8.655 -34.427 1.00 0.00 C ATOM 597 CE2 PHE A 40 12.804 -11.015 -34.341 1.00 0.00 C ATOM 598 CZ PHE A 40 12.210 -9.932 -35.004 1.00 0.00 C ATOM 0 H PHE A 40 14.725 -11.702 -30.380 1.00 0.00 H new ATOM 0 HA PHE A 40 16.033 -9.825 -32.037 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.528 -9.804 -30.405 1.00 0.00 H new ATOM 0 HB3 PHE A 40 14.182 -8.278 -30.966 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.928 -7.478 -32.749 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.882 -11.668 -32.595 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.793 -7.818 -34.934 1.00 0.00 H new ATOM 0 HE2 PHE A 40 12.778 -11.998 -34.787 1.00 0.00 H new ATOM 0 HZ PHE A 40 11.722 -10.081 -35.956 1.00 0.00 H new ATOM 608 N GLY A 41 16.815 -7.867 -30.630 1.00 0.00 N ATOM 609 CA GLY A 41 17.636 -6.928 -29.881 1.00 0.00 C ATOM 610 C GLY A 41 17.431 -5.510 -30.402 1.00 0.00 C ATOM 611 O GLY A 41 16.688 -5.304 -31.361 1.00 0.00 O ATOM 0 H GLY A 41 16.535 -7.525 -31.550 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.379 -6.974 -28.823 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.687 -7.205 -29.966 1.00 0.00 H new ATOM 615 N ASP A 42 18.088 -4.529 -29.776 1.00 0.00 N ATOM 616 CA ASP A 42 17.900 -3.123 -30.116 1.00 0.00 C ATOM 617 C ASP A 42 18.195 -2.836 -31.586 1.00 0.00 C ATOM 618 O ASP A 42 17.477 -2.072 -32.233 1.00 0.00 O ATOM 619 CB ASP A 42 18.803 -2.251 -29.238 1.00 0.00 C ATOM 620 CG ASP A 42 18.501 -2.362 -27.745 1.00 0.00 C ATOM 621 OD1 ASP A 42 19.216 -1.693 -26.967 1.00 0.00 O ATOM 622 OD2 ASP A 42 17.566 -3.109 -27.384 1.00 0.00 O ATOM 0 H ASP A 42 18.760 -4.689 -29.025 1.00 0.00 H new ATOM 0 HA ASP A 42 16.852 -2.885 -29.936 1.00 0.00 H new ATOM 0 HB2 ASP A 42 19.842 -2.530 -29.411 1.00 0.00 H new ATOM 0 HB3 ASP A 42 18.697 -1.210 -29.545 1.00 0.00 H new ATOM 627 N GLN A 43 19.251 -3.451 -32.123 1.00 0.00 N ATOM 628 CA GLN A 43 19.650 -3.223 -33.505 1.00 0.00 C ATOM 629 C GLN A 43 18.871 -4.125 -34.456 1.00 0.00 C ATOM 630 O GLN A 43 18.686 -3.787 -35.624 1.00 0.00 O ATOM 631 CB GLN A 43 21.152 -3.477 -33.628 1.00 0.00 C ATOM 632 CG GLN A 43 21.646 -3.016 -35.003 1.00 0.00 C ATOM 633 CD GLN A 43 23.164 -2.885 -35.058 1.00 0.00 C ATOM 634 OE1 GLN A 43 23.891 -3.500 -34.279 1.00 0.00 O ATOM 635 NE2 GLN A 43 23.661 -2.072 -35.987 1.00 0.00 N ATOM 0 H GLN A 43 19.843 -4.110 -31.618 1.00 0.00 H new ATOM 0 HA GLN A 43 19.427 -2.192 -33.781 1.00 0.00 H new ATOM 0 HB2 GLN A 43 21.686 -2.943 -32.842 1.00 0.00 H new ATOM 0 HB3 GLN A 43 21.363 -4.538 -33.493 1.00 0.00 H new ATOM 0 HG2 GLN A 43 21.317 -3.726 -35.762 1.00 0.00 H new ATOM 0 HG3 GLN A 43 21.192 -2.056 -35.247 1.00 0.00 H new ATOM 0 HE21 GLN A 43 23.033 -1.575 -36.619 1.00 0.00 H new ATOM 0 HE22 GLN A 43 24.670 -1.946 -36.067 1.00 0.00 H new ATOM 644 N ASP A 44 18.410 -5.273 -33.963 1.00 0.00 N ATOM 645 CA ASP A 44 17.628 -6.190 -34.777 1.00 0.00 C ATOM 646 C ASP A 44 16.199 -5.729 -35.035 1.00 0.00 C ATOM 647 O ASP A 44 15.674 -5.915 -36.133 1.00 0.00 O ATOM 648 CB ASP A 44 17.679 -7.600 -34.203 1.00 0.00 C ATOM 649 CG ASP A 44 19.036 -8.274 -34.408 1.00 0.00 C ATOM 650 OD1 ASP A 44 19.170 -9.434 -33.958 1.00 0.00 O ATOM 651 OD2 ASP A 44 19.930 -7.637 -35.008 1.00 0.00 O ATOM 0 H ASP A 44 18.566 -5.586 -33.005 1.00 0.00 H new ATOM 0 HA ASP A 44 18.098 -6.200 -35.760 1.00 0.00 H new ATOM 0 HB2 ASP A 44 17.455 -7.562 -33.137 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.903 -8.206 -34.671 1.00 0.00 H new ATOM 656 N ILE A 45 15.563 -5.123 -34.026 1.00 0.00 N ATOM 657 CA ILE A 45 14.230 -4.564 -34.198 1.00 0.00 C ATOM 658 C ILE A 45 14.352 -3.261 -34.985 1.00 0.00 C ATOM 659 O ILE A 45 13.409 -2.859 -35.664 1.00 0.00 O ATOM 660 CB ILE A 45 13.578 -4.341 -32.826 1.00 0.00 C ATOM 661 CG1 ILE A 45 12.073 -4.138 -33.012 1.00 0.00 C ATOM 662 CG2 ILE A 45 14.185 -3.140 -32.094 1.00 0.00 C ATOM 663 CD1 ILE A 45 11.349 -4.038 -31.667 1.00 0.00 C ATOM 0 H ILE A 45 15.952 -5.011 -33.090 1.00 0.00 H new ATOM 0 HA ILE A 45 13.591 -5.251 -34.753 1.00 0.00 H new ATOM 0 HB ILE A 45 13.764 -5.222 -32.212 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.896 -3.231 -33.590 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.661 -4.968 -33.587 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.695 -3.017 -31.128 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.251 -3.308 -31.942 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.041 -2.239 -32.691 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.282 -3.894 -31.838 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.505 -4.956 -31.101 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.743 -3.192 -31.103 1.00 0.00 H new ATOM 675 N LEU A 46 15.508 -2.593 -34.905 1.00 0.00 N ATOM 676 CA LEU A 46 15.761 -1.395 -35.689 1.00 0.00 C ATOM 677 C LEU A 46 15.751 -1.745 -37.174 1.00 0.00 C ATOM 678 O LEU A 46 15.028 -1.132 -37.956 1.00 0.00 O ATOM 679 CB LEU A 46 17.113 -0.793 -35.285 1.00 0.00 C ATOM 680 CG LEU A 46 17.504 0.405 -36.151 1.00 0.00 C ATOM 681 CD1 LEU A 46 16.573 1.594 -35.916 1.00 0.00 C ATOM 682 CD2 LEU A 46 18.939 0.817 -35.832 1.00 0.00 C ATOM 0 H LEU A 46 16.282 -2.869 -34.300 1.00 0.00 H new ATOM 0 HA LEU A 46 14.980 -0.659 -35.499 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.072 -0.484 -34.241 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.885 -1.559 -35.360 1.00 0.00 H new ATOM 0 HG LEU A 46 17.420 0.108 -37.196 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.880 2.427 -36.548 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.550 1.310 -36.163 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.623 1.894 -34.869 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.218 1.671 -36.449 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.014 1.090 -34.779 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.611 -0.016 -36.039 1.00 0.00 H new ATOM 694 N GLN A 47 16.554 -2.740 -37.567 1.00 0.00 N ATOM 695 CA GLN A 47 16.663 -3.164 -38.954 1.00 0.00 C ATOM 696 C GLN A 47 15.348 -3.735 -39.475 1.00 0.00 C ATOM 697 O GLN A 47 15.117 -3.746 -40.683 1.00 0.00 O ATOM 698 CB GLN A 47 17.771 -4.210 -39.070 1.00 0.00 C ATOM 699 CG GLN A 47 19.153 -3.581 -38.859 1.00 0.00 C ATOM 700 CD GLN A 47 19.651 -2.840 -40.098 1.00 0.00 C ATOM 701 OE1 GLN A 47 18.975 -2.775 -41.120 1.00 0.00 O ATOM 702 NE2 GLN A 47 20.849 -2.272 -40.015 1.00 0.00 N ATOM 0 H GLN A 47 17.144 -3.270 -36.926 1.00 0.00 H new ATOM 0 HA GLN A 47 16.904 -2.293 -39.563 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.610 -4.997 -38.333 1.00 0.00 H new ATOM 0 HB3 GLN A 47 17.729 -4.680 -40.052 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.110 -2.889 -38.018 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.867 -4.360 -38.594 1.00 0.00 H new ATOM 0 HE21 GLN A 47 21.388 -2.343 -39.152 1.00 0.00 H new ATOM 0 HE22 GLN A 47 21.230 -1.765 -40.814 1.00 0.00 H new ATOM 711 N MET A 48 14.479 -4.211 -38.578 1.00 0.00 N ATOM 712 CA MET A 48 13.186 -4.740 -38.973 1.00 0.00 C ATOM 713 C MET A 48 12.201 -3.600 -39.247 1.00 0.00 C ATOM 714 O MET A 48 11.254 -3.782 -40.008 1.00 0.00 O ATOM 715 CB MET A 48 12.668 -5.662 -37.869 1.00 0.00 C ATOM 716 CG MET A 48 11.504 -6.515 -38.367 1.00 0.00 C ATOM 717 SD MET A 48 11.993 -7.737 -39.614 1.00 0.00 S ATOM 718 CE MET A 48 10.381 -8.503 -39.929 1.00 0.00 C ATOM 0 H MET A 48 14.655 -4.237 -37.574 1.00 0.00 H new ATOM 0 HA MET A 48 13.289 -5.312 -39.895 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.474 -6.308 -37.522 1.00 0.00 H new ATOM 0 HB3 MET A 48 12.347 -5.067 -37.014 1.00 0.00 H new ATOM 0 HG2 MET A 48 11.052 -7.031 -37.520 1.00 0.00 H new ATOM 0 HG3 MET A 48 10.739 -5.863 -38.788 1.00 0.00 H new ATOM 0 HE1 MET A 48 10.461 -9.185 -40.776 1.00 0.00 H new ATOM 0 HE2 MET A 48 10.063 -9.057 -39.046 1.00 0.00 H new ATOM 0 HE3 MET A 48 9.648 -7.729 -40.155 1.00 0.00 H new ATOM 728 N PHE A 49 12.422 -2.429 -38.635 1.00 0.00 N ATOM 729 CA PHE A 49 11.549 -1.274 -38.786 1.00 0.00 C ATOM 730 C PHE A 49 12.040 -0.112 -39.652 1.00 0.00 C ATOM 731 O PHE A 49 11.259 0.784 -39.972 1.00 0.00 O ATOM 732 CB PHE A 49 10.973 -0.825 -37.439 1.00 0.00 C ATOM 733 CG PHE A 49 9.851 -1.695 -36.913 1.00 0.00 C ATOM 734 CD1 PHE A 49 8.534 -1.210 -36.895 1.00 0.00 C ATOM 735 CD2 PHE A 49 10.120 -2.987 -36.438 1.00 0.00 C ATOM 736 CE1 PHE A 49 7.490 -2.013 -36.416 1.00 0.00 C ATOM 737 CE2 PHE A 49 9.079 -3.792 -35.958 1.00 0.00 C ATOM 738 CZ PHE A 49 7.764 -3.304 -35.944 1.00 0.00 C ATOM 0 H PHE A 49 13.218 -2.263 -38.019 1.00 0.00 H new ATOM 0 HA PHE A 49 10.739 -1.659 -39.406 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.777 -0.806 -36.703 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.607 0.197 -37.537 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.324 -0.213 -37.252 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.133 -3.362 -36.442 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.477 -1.638 -36.411 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.289 -4.789 -35.599 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.962 -3.923 -35.569 1.00 0.00 H new ATOM 748 N MET A 50 13.318 -0.107 -40.043 1.00 0.00 N ATOM 749 CA MET A 50 13.858 0.968 -40.874 1.00 0.00 C ATOM 750 C MET A 50 13.289 1.045 -42.298 1.00 0.00 C ATOM 751 O MET A 50 13.241 2.148 -42.843 1.00 0.00 O ATOM 752 CB MET A 50 15.385 0.887 -40.937 1.00 0.00 C ATOM 753 CG MET A 50 16.014 1.457 -39.665 1.00 0.00 C ATOM 754 SD MET A 50 17.766 1.889 -39.824 1.00 0.00 S ATOM 755 CE MET A 50 18.460 0.251 -40.152 1.00 0.00 C ATOM 0 H MET A 50 13.993 -0.832 -39.798 1.00 0.00 H new ATOM 0 HA MET A 50 13.538 1.884 -40.377 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.693 -0.150 -41.067 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.747 1.438 -41.805 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.459 2.346 -39.367 1.00 0.00 H new ATOM 0 HG3 MET A 50 15.904 0.728 -38.862 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.542 0.329 -40.259 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.225 -0.416 -39.323 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.032 -0.148 -41.072 1.00 0.00 H new ATOM 765 N PRO A 51 12.853 -0.047 -42.950 1.00 0.00 N ATOM 766 CA PRO A 51 12.306 0.056 -44.294 1.00 0.00 C ATOM 767 C PRO A 51 10.920 0.703 -44.305 1.00 0.00 C ATOM 768 O PRO A 51 10.392 1.001 -45.378 1.00 0.00 O ATOM 769 CB PRO A 51 12.260 -1.375 -44.820 1.00 0.00 C ATOM 770 CG PRO A 51 12.048 -2.198 -43.555 1.00 0.00 C ATOM 771 CD PRO A 51 12.861 -1.436 -42.511 1.00 0.00 C ATOM 0 HA PRO A 51 12.922 0.700 -44.922 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.449 -1.517 -45.534 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.184 -1.648 -45.329 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.994 -2.256 -43.283 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.403 -3.222 -43.675 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.420 -1.537 -41.520 1.00 0.00 H new ATOM 0 HD3 PRO A 51 13.878 -1.822 -42.448 1.00 0.00 H new ATOM 779 N PHE A 52 10.325 0.923 -43.128 1.00 0.00 N ATOM 780 CA PHE A 52 9.017 1.548 -43.007 1.00 0.00 C ATOM 781 C PHE A 52 9.138 3.067 -42.902 1.00 0.00 C ATOM 782 O PHE A 52 8.135 3.772 -43.018 1.00 0.00 O ATOM 783 CB PHE A 52 8.319 0.977 -41.778 1.00 0.00 C ATOM 784 CG PHE A 52 8.204 -0.530 -41.802 1.00 0.00 C ATOM 785 CD1 PHE A 52 7.807 -1.194 -42.973 1.00 0.00 C ATOM 786 CD2 PHE A 52 8.508 -1.269 -40.654 1.00 0.00 C ATOM 787 CE1 PHE A 52 7.738 -2.592 -43.002 1.00 0.00 C ATOM 788 CE2 PHE A 52 8.437 -2.667 -40.678 1.00 0.00 C ATOM 789 CZ PHE A 52 8.053 -3.331 -41.854 1.00 0.00 C ATOM 0 H PHE A 52 10.744 0.669 -42.233 1.00 0.00 H new ATOM 0 HA PHE A 52 8.430 1.333 -43.900 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.866 1.279 -40.885 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.321 1.409 -41.702 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.554 -0.624 -43.855 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.798 -0.760 -39.747 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.442 -3.100 -43.908 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.678 -3.235 -39.792 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.001 -4.410 -41.874 1.00 0.00 H new ATOM 799 N GLY A 53 10.353 3.586 -42.685 1.00 0.00 N ATOM 800 CA GLY A 53 10.589 5.015 -42.571 1.00 0.00 C ATOM 801 C GLY A 53 11.822 5.301 -41.720 1.00 0.00 C ATOM 802 O GLY A 53 12.513 4.381 -41.288 1.00 0.00 O ATOM 0 H GLY A 53 11.195 3.019 -42.585 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.721 5.445 -43.564 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.717 5.497 -42.128 1.00 0.00 H new ATOM 806 N ASN A 54 12.105 6.582 -41.471 1.00 0.00 N ATOM 807 CA ASN A 54 13.287 6.973 -40.723 1.00 0.00 C ATOM 808 C ASN A 54 13.068 6.760 -39.227 1.00 0.00 C ATOM 809 O ASN A 54 12.412 7.562 -38.564 1.00 0.00 O ATOM 810 CB ASN A 54 13.614 8.432 -41.035 1.00 0.00 C ATOM 811 CG ASN A 54 14.778 8.946 -40.194 1.00 0.00 C ATOM 812 OD1 ASN A 54 15.696 8.204 -39.862 1.00 0.00 O ATOM 813 ND2 ASN A 54 14.745 10.226 -39.849 1.00 0.00 N ATOM 0 H ASN A 54 11.526 7.363 -41.780 1.00 0.00 H new ATOM 0 HA ASN A 54 14.132 6.352 -41.019 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.859 8.531 -42.093 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.734 9.048 -40.852 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.500 10.623 -39.289 1.00 0.00 H new ATOM 0 HD22 ASN A 54 13.965 10.814 -40.143 1.00 0.00 H new ATOM 820 N VAL A 55 13.629 5.668 -38.704 1.00 0.00 N ATOM 821 CA VAL A 55 13.562 5.356 -37.288 1.00 0.00 C ATOM 822 C VAL A 55 14.660 6.124 -36.562 1.00 0.00 C ATOM 823 O VAL A 55 15.835 5.981 -36.901 1.00 0.00 O ATOM 824 CB VAL A 55 13.729 3.845 -37.096 1.00 0.00 C ATOM 825 CG1 VAL A 55 13.739 3.492 -35.612 1.00 0.00 C ATOM 826 CG2 VAL A 55 12.576 3.104 -37.769 1.00 0.00 C ATOM 0 H VAL A 55 14.141 4.980 -39.256 1.00 0.00 H new ATOM 0 HA VAL A 55 12.597 5.651 -36.876 1.00 0.00 H new ATOM 0 HB VAL A 55 14.676 3.547 -37.545 1.00 0.00 H new ATOM 0 HG11 VAL A 55 13.858 2.415 -35.495 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.567 4.004 -35.122 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.799 3.804 -35.157 1.00 0.00 H new ATOM 0 HG21 VAL A 55 12.702 2.030 -37.628 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.632 3.420 -37.325 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.570 3.332 -38.835 1.00 0.00 H new ATOM 836 N ILE A 56 14.290 6.934 -35.568 1.00 0.00 N ATOM 837 CA ILE A 56 15.266 7.713 -34.813 1.00 0.00 C ATOM 838 C ILE A 56 15.848 6.876 -33.678 1.00 0.00 C ATOM 839 O ILE A 56 17.000 7.062 -33.291 1.00 0.00 O ATOM 840 CB ILE A 56 14.611 8.977 -34.241 1.00 0.00 C ATOM 841 CG1 ILE A 56 13.802 9.728 -35.305 1.00 0.00 C ATOM 842 CG2 ILE A 56 15.700 9.885 -33.662 1.00 0.00 C ATOM 843 CD1 ILE A 56 13.181 10.995 -34.719 1.00 0.00 C ATOM 0 H ILE A 56 13.323 7.066 -35.270 1.00 0.00 H new ATOM 0 HA ILE A 56 16.071 8.004 -35.488 1.00 0.00 H new ATOM 0 HB ILE A 56 13.915 8.682 -33.456 1.00 0.00 H new ATOM 0 HG12 ILE A 56 14.448 9.988 -36.143 1.00 0.00 H new ATOM 0 HG13 ILE A 56 13.017 9.080 -35.696 1.00 0.00 H new ATOM 0 HG21 ILE A 56 15.243 10.786 -33.253 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.232 9.357 -32.871 1.00 0.00 H new ATOM 0 HG23 ILE A 56 16.402 10.159 -34.450 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.612 11.512 -35.491 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.517 10.728 -33.896 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.970 11.650 -34.350 1.00 0.00 H new ATOM 855 N SER A 57 15.049 5.950 -33.140 1.00 0.00 N ATOM 856 CA SER A 57 15.450 5.133 -32.007 1.00 0.00 C ATOM 857 C SER A 57 14.716 3.796 -32.021 1.00 0.00 C ATOM 858 O SER A 57 13.601 3.690 -32.530 1.00 0.00 O ATOM 859 CB SER A 57 15.163 5.885 -30.711 1.00 0.00 C ATOM 860 OG SER A 57 15.503 5.086 -29.601 1.00 0.00 O ATOM 0 H SER A 57 14.109 5.751 -33.482 1.00 0.00 H new ATOM 0 HA SER A 57 16.519 4.931 -32.076 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.732 6.815 -30.687 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.108 6.155 -30.665 1.00 0.00 H new ATOM 0 HG SER A 57 15.317 5.578 -28.774 1.00 0.00 H new ATOM 866 N ALA A 58 15.356 2.774 -31.455 1.00 0.00 N ATOM 867 CA ALA A 58 14.829 1.426 -31.393 1.00 0.00 C ATOM 868 C ALA A 58 15.467 0.701 -30.213 1.00 0.00 C ATOM 869 O ALA A 58 16.677 0.809 -30.005 1.00 0.00 O ATOM 870 CB ALA A 58 15.149 0.718 -32.709 1.00 0.00 C ATOM 0 H ALA A 58 16.274 2.870 -31.020 1.00 0.00 H new ATOM 0 HA ALA A 58 13.748 1.435 -31.251 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.759 -0.299 -32.679 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.688 1.259 -33.535 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.229 0.688 -32.853 1.00 0.00 H new ATOM 876 N LYS A 59 14.665 -0.036 -29.439 1.00 0.00 N ATOM 877 CA LYS A 59 15.150 -0.703 -28.240 1.00 0.00 C ATOM 878 C LYS A 59 14.228 -1.857 -27.858 1.00 0.00 C ATOM 879 O LYS A 59 13.013 -1.690 -27.796 1.00 0.00 O ATOM 880 CB LYS A 59 15.245 0.349 -27.132 1.00 0.00 C ATOM 881 CG LYS A 59 15.834 -0.157 -25.811 1.00 0.00 C ATOM 882 CD LYS A 59 14.774 -0.763 -24.892 1.00 0.00 C ATOM 883 CE LYS A 59 15.405 -1.076 -23.534 1.00 0.00 C ATOM 884 NZ LYS A 59 16.533 -2.018 -23.660 1.00 0.00 N ATOM 0 H LYS A 59 13.673 -0.183 -29.628 1.00 0.00 H new ATOM 0 HA LYS A 59 16.134 -1.140 -28.409 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.854 1.179 -27.490 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.248 0.745 -26.940 1.00 0.00 H new ATOM 0 HG2 LYS A 59 16.599 -0.905 -26.021 1.00 0.00 H new ATOM 0 HG3 LYS A 59 16.327 0.668 -25.297 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.943 -0.069 -24.769 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.367 -1.672 -25.336 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.753 -0.152 -23.073 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.650 -1.499 -22.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.793 -2.377 -22.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.254 -2.814 -24.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.348 -1.529 -24.081 1.00 0.00 H new ATOM 898 N VAL A 60 14.802 -3.033 -27.599 1.00 0.00 N ATOM 899 CA VAL A 60 14.048 -4.196 -27.140 1.00 0.00 C ATOM 900 C VAL A 60 14.154 -4.217 -25.623 1.00 0.00 C ATOM 901 O VAL A 60 15.238 -4.031 -25.075 1.00 0.00 O ATOM 902 CB VAL A 60 14.629 -5.472 -27.748 1.00 0.00 C ATOM 903 CG1 VAL A 60 14.073 -6.721 -27.061 1.00 0.00 C ATOM 904 CG2 VAL A 60 14.256 -5.529 -29.226 1.00 0.00 C ATOM 0 H VAL A 60 15.802 -3.204 -27.702 1.00 0.00 H new ATOM 0 HA VAL A 60 13.004 -4.140 -27.448 1.00 0.00 H new ATOM 0 HB VAL A 60 15.711 -5.452 -27.614 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.507 -7.611 -27.517 1.00 0.00 H new ATOM 0 HG12 VAL A 60 14.326 -6.697 -26.001 1.00 0.00 H new ATOM 0 HG13 VAL A 60 12.989 -6.747 -27.174 1.00 0.00 H new ATOM 0 HG21 VAL A 60 14.666 -6.436 -29.670 1.00 0.00 H new ATOM 0 HG22 VAL A 60 13.171 -5.534 -29.327 1.00 0.00 H new ATOM 0 HG23 VAL A 60 14.664 -4.658 -29.738 1.00 0.00 H new ATOM 914 N PHE A 61 13.034 -4.436 -24.931 1.00 0.00 N ATOM 915 CA PHE A 61 13.008 -4.364 -23.482 1.00 0.00 C ATOM 916 C PHE A 61 13.750 -5.475 -22.746 1.00 0.00 C ATOM 917 O PHE A 61 13.757 -6.619 -23.199 1.00 0.00 O ATOM 918 CB PHE A 61 11.589 -4.135 -22.971 1.00 0.00 C ATOM 919 CG PHE A 61 11.080 -2.740 -23.258 1.00 0.00 C ATOM 920 CD1 PHE A 61 11.719 -1.629 -22.695 1.00 0.00 C ATOM 921 CD2 PHE A 61 9.972 -2.559 -24.095 1.00 0.00 C ATOM 922 CE1 PHE A 61 11.248 -0.337 -22.969 1.00 0.00 C ATOM 923 CE2 PHE A 61 9.498 -1.267 -24.366 1.00 0.00 C ATOM 924 CZ PHE A 61 10.138 -0.155 -23.802 1.00 0.00 C ATOM 0 H PHE A 61 12.136 -4.664 -25.358 1.00 0.00 H new ATOM 0 HA PHE A 61 13.603 -3.487 -23.229 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.920 -4.862 -23.431 1.00 0.00 H new ATOM 0 HB3 PHE A 61 11.562 -4.313 -21.896 1.00 0.00 H new ATOM 0 HD1 PHE A 61 12.574 -1.767 -22.050 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.481 -3.416 -24.533 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.743 0.520 -22.536 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.641 -1.129 -25.008 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.775 0.841 -24.010 1.00 0.00 H new ATOM 934 N ILE A 62 14.371 -5.139 -21.612 1.00 0.00 N ATOM 935 CA ILE A 62 15.184 -6.074 -20.839 1.00 0.00 C ATOM 936 C ILE A 62 14.817 -5.985 -19.360 1.00 0.00 C ATOM 937 O ILE A 62 14.506 -4.906 -18.864 1.00 0.00 O ATOM 938 CB ILE A 62 16.677 -5.765 -21.034 1.00 0.00 C ATOM 939 CG1 ILE A 62 17.105 -5.748 -22.511 1.00 0.00 C ATOM 940 CG2 ILE A 62 17.518 -6.780 -20.259 1.00 0.00 C ATOM 941 CD1 ILE A 62 17.031 -7.123 -23.176 1.00 0.00 C ATOM 0 H ILE A 62 14.322 -4.205 -21.205 1.00 0.00 H new ATOM 0 HA ILE A 62 14.988 -7.087 -21.191 1.00 0.00 H new ATOM 0 HB ILE A 62 16.845 -4.759 -20.649 1.00 0.00 H new ATOM 0 HG12 ILE A 62 16.469 -5.052 -23.059 1.00 0.00 H new ATOM 0 HG13 ILE A 62 18.125 -5.372 -22.582 1.00 0.00 H new ATOM 0 HG21 ILE A 62 18.576 -6.558 -20.399 1.00 0.00 H new ATOM 0 HG22 ILE A 62 17.272 -6.722 -19.199 1.00 0.00 H new ATOM 0 HG23 ILE A 62 17.306 -7.784 -20.626 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.346 -7.041 -24.216 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.688 -7.817 -22.651 1.00 0.00 H new ATOM 0 HD13 ILE A 62 16.006 -7.492 -23.135 1.00 0.00 H new ATOM 953 N ASP A 63 14.851 -7.119 -18.654 1.00 0.00 N ATOM 954 CA ASP A 63 14.599 -7.163 -17.221 1.00 0.00 C ATOM 955 C ASP A 63 15.924 -6.949 -16.488 1.00 0.00 C ATOM 956 O ASP A 63 16.914 -7.607 -16.805 1.00 0.00 O ATOM 957 CB ASP A 63 14.002 -8.532 -16.881 1.00 0.00 C ATOM 958 CG ASP A 63 13.566 -8.645 -15.419 1.00 0.00 C ATOM 959 OD1 ASP A 63 12.993 -9.697 -15.072 1.00 0.00 O ATOM 960 OD2 ASP A 63 13.810 -7.677 -14.660 1.00 0.00 O ATOM 0 H ASP A 63 15.055 -8.030 -19.065 1.00 0.00 H new ATOM 0 HA ASP A 63 13.900 -6.384 -16.916 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.144 -8.719 -17.526 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.737 -9.307 -17.096 1.00 0.00 H new ATOM 965 N LYS A 64 15.962 -6.040 -15.511 1.00 0.00 N ATOM 966 CA LYS A 64 17.185 -5.760 -14.769 1.00 0.00 C ATOM 967 C LYS A 64 17.489 -6.871 -13.761 1.00 0.00 C ATOM 968 O LYS A 64 18.583 -6.909 -13.199 1.00 0.00 O ATOM 969 CB LYS A 64 17.092 -4.397 -14.069 1.00 0.00 C ATOM 970 CG LYS A 64 16.153 -4.352 -12.857 1.00 0.00 C ATOM 971 CD LYS A 64 14.664 -4.427 -13.197 1.00 0.00 C ATOM 972 CE LYS A 64 14.229 -3.278 -14.110 1.00 0.00 C ATOM 973 NZ LYS A 64 14.431 -1.964 -13.473 1.00 0.00 N ATOM 0 H LYS A 64 15.157 -5.487 -15.218 1.00 0.00 H new ATOM 0 HA LYS A 64 18.009 -5.725 -15.481 1.00 0.00 H new ATOM 0 HB2 LYS A 64 18.091 -4.102 -13.747 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.759 -3.655 -14.795 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.402 -5.179 -12.192 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.339 -3.431 -12.305 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.450 -5.379 -13.684 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.080 -4.401 -12.277 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.793 -3.321 -15.041 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.177 -3.398 -14.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.987 -1.225 -14.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.999 -1.967 -12.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.450 -1.773 -13.388 1.00 0.00 H new ATOM 987 N GLN A 65 16.531 -7.773 -13.527 1.00 0.00 N ATOM 988 CA GLN A 65 16.673 -8.849 -12.557 1.00 0.00 C ATOM 989 C GLN A 65 17.273 -10.119 -13.161 1.00 0.00 C ATOM 990 O GLN A 65 17.818 -10.949 -12.434 1.00 0.00 O ATOM 991 CB GLN A 65 15.297 -9.178 -12.000 1.00 0.00 C ATOM 992 CG GLN A 65 14.782 -8.020 -11.138 1.00 0.00 C ATOM 993 CD GLN A 65 13.266 -8.047 -11.022 1.00 0.00 C ATOM 994 OE1 GLN A 65 12.716 -8.111 -9.927 1.00 0.00 O ATOM 995 NE2 GLN A 65 12.574 -8.000 -12.155 1.00 0.00 N ATOM 0 H GLN A 65 15.633 -7.772 -14.011 1.00 0.00 H new ATOM 0 HA GLN A 65 17.355 -8.505 -11.780 1.00 0.00 H new ATOM 0 HB2 GLN A 65 14.602 -9.369 -12.818 1.00 0.00 H new ATOM 0 HB3 GLN A 65 15.347 -10.090 -11.405 1.00 0.00 H new ATOM 0 HG2 GLN A 65 15.226 -8.079 -10.144 1.00 0.00 H new ATOM 0 HG3 GLN A 65 15.098 -7.072 -11.573 1.00 0.00 H new ATOM 0 HE21 GLN A 65 13.062 -7.947 -13.049 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.554 -8.017 -12.131 1.00 0.00 H new ATOM 1004 N THR A 66 17.173 -10.273 -14.484 1.00 0.00 N ATOM 1005 CA THR A 66 17.619 -11.470 -15.192 1.00 0.00 C ATOM 1006 C THR A 66 18.396 -11.187 -16.469 1.00 0.00 C ATOM 1007 O THR A 66 19.041 -12.077 -17.021 1.00 0.00 O ATOM 1008 CB THR A 66 16.461 -12.445 -15.442 1.00 0.00 C ATOM 1009 OG1 THR A 66 15.871 -12.138 -16.684 1.00 0.00 O ATOM 1010 CG2 THR A 66 15.374 -12.362 -14.376 1.00 0.00 C ATOM 0 H THR A 66 16.776 -9.561 -15.097 1.00 0.00 H new ATOM 0 HA THR A 66 18.331 -11.950 -14.521 1.00 0.00 H new ATOM 0 HB THR A 66 16.879 -13.451 -15.420 1.00 0.00 H new ATOM 0 HG1 THR A 66 15.130 -12.756 -16.856 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.582 -13.075 -14.607 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.801 -12.598 -13.401 1.00 0.00 H new ATOM 0 HG23 THR A 66 14.960 -11.354 -14.356 1.00 0.00 H new ATOM 1018 N ASN A 67 18.326 -9.933 -16.925 1.00 0.00 N ATOM 1019 CA ASN A 67 18.964 -9.467 -18.148 1.00 0.00 C ATOM 1020 C ASN A 67 18.456 -10.189 -19.399 1.00 0.00 C ATOM 1021 O ASN A 67 19.019 -10.019 -20.481 1.00 0.00 O ATOM 1022 CB ASN A 67 20.490 -9.514 -18.005 1.00 0.00 C ATOM 1023 CG ASN A 67 20.991 -8.584 -16.908 1.00 0.00 C ATOM 1024 OD1 ASN A 67 20.325 -7.624 -16.532 1.00 0.00 O ATOM 1025 ND2 ASN A 67 22.182 -8.860 -16.386 1.00 0.00 N ATOM 0 H ASN A 67 17.810 -9.200 -16.438 1.00 0.00 H new ATOM 0 HA ASN A 67 18.679 -8.425 -18.295 1.00 0.00 H new ATOM 0 HB2 ASN A 67 20.802 -10.535 -17.785 1.00 0.00 H new ATOM 0 HB3 ASN A 67 20.951 -9.237 -18.953 1.00 0.00 H new ATOM 0 HD21 ASN A 67 22.567 -8.266 -15.651 1.00 0.00 H new ATOM 0 HD22 ASN A 67 22.711 -9.665 -16.720 1.00 0.00 H new ATOM 1032 N LEU A 68 17.395 -10.990 -19.257 1.00 0.00 N ATOM 1033 CA LEU A 68 16.760 -11.660 -20.381 1.00 0.00 C ATOM 1034 C LEU A 68 15.795 -10.705 -21.081 1.00 0.00 C ATOM 1035 O LEU A 68 15.360 -9.709 -20.501 1.00 0.00 O ATOM 1036 CB LEU A 68 16.028 -12.920 -19.905 1.00 0.00 C ATOM 1037 CG LEU A 68 16.974 -13.925 -19.236 1.00 0.00 C ATOM 1038 CD1 LEU A 68 16.174 -15.145 -18.789 1.00 0.00 C ATOM 1039 CD2 LEU A 68 18.064 -14.380 -20.204 1.00 0.00 C ATOM 0 H LEU A 68 16.957 -11.188 -18.357 1.00 0.00 H new ATOM 0 HA LEU A 68 17.527 -11.961 -21.094 1.00 0.00 H new ATOM 0 HB2 LEU A 68 15.244 -12.638 -19.202 1.00 0.00 H new ATOM 0 HB3 LEU A 68 15.538 -13.396 -20.755 1.00 0.00 H new ATOM 0 HG LEU A 68 17.444 -13.439 -18.381 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.841 -15.863 -18.313 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.406 -14.837 -18.079 1.00 0.00 H new ATOM 0 HD13 LEU A 68 15.702 -15.608 -19.656 1.00 0.00 H new ATOM 0 HD21 LEU A 68 18.721 -15.092 -19.704 1.00 0.00 H new ATOM 0 HD22 LEU A 68 17.605 -14.856 -21.071 1.00 0.00 H new ATOM 0 HD23 LEU A 68 18.645 -13.517 -20.529 1.00 0.00 H new ATOM 1051 N SER A 69 15.456 -11.011 -22.334 1.00 0.00 N ATOM 1052 CA SER A 69 14.536 -10.193 -23.110 1.00 0.00 C ATOM 1053 C SER A 69 13.116 -10.291 -22.569 1.00 0.00 C ATOM 1054 O SER A 69 12.666 -11.374 -22.185 1.00 0.00 O ATOM 1055 CB SER A 69 14.583 -10.614 -24.577 1.00 0.00 C ATOM 1056 OG SER A 69 13.618 -9.888 -25.311 1.00 0.00 O ATOM 0 H SER A 69 15.811 -11.827 -22.832 1.00 0.00 H new ATOM 0 HA SER A 69 14.847 -9.152 -23.027 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.577 -10.433 -24.986 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.392 -11.684 -24.665 1.00 0.00 H new ATOM 0 HG SER A 69 13.651 -10.159 -26.252 1.00 0.00 H new ATOM 1062 N LYS A 70 12.404 -9.161 -22.540 1.00 0.00 N ATOM 1063 CA LYS A 70 11.005 -9.129 -22.134 1.00 0.00 C ATOM 1064 C LYS A 70 10.069 -9.511 -23.279 1.00 0.00 C ATOM 1065 O LYS A 70 8.850 -9.419 -23.137 1.00 0.00 O ATOM 1066 CB LYS A 70 10.643 -7.759 -21.555 1.00 0.00 C ATOM 1067 CG LYS A 70 11.433 -7.480 -20.274 1.00 0.00 C ATOM 1068 CD LYS A 70 10.771 -6.323 -19.527 1.00 0.00 C ATOM 1069 CE LYS A 70 11.418 -6.131 -18.159 1.00 0.00 C ATOM 1070 NZ LYS A 70 10.765 -5.033 -17.422 1.00 0.00 N ATOM 0 H LYS A 70 12.783 -8.249 -22.797 1.00 0.00 H new ATOM 0 HA LYS A 70 10.872 -9.878 -21.353 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.851 -6.982 -22.291 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.574 -7.720 -21.344 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.458 -8.370 -19.645 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.466 -7.231 -20.515 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.861 -5.407 -20.110 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.706 -6.521 -19.408 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.346 -7.054 -17.584 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.479 -5.913 -18.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.220 -4.919 -16.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.856 -4.150 -17.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.758 -5.255 -17.289 1.00 0.00 H new ATOM 1084 N CYS A 71 10.625 -9.939 -24.416 1.00 0.00 N ATOM 1085 CA CYS A 71 9.862 -10.357 -25.585 1.00 0.00 C ATOM 1086 C CYS A 71 8.971 -9.259 -26.181 1.00 0.00 C ATOM 1087 O CYS A 71 8.001 -9.559 -26.873 1.00 0.00 O ATOM 1088 CB CYS A 71 9.109 -11.653 -25.283 1.00 0.00 C ATOM 1089 SG CYS A 71 10.308 -12.991 -25.029 1.00 0.00 S ATOM 0 H CYS A 71 11.634 -10.004 -24.547 1.00 0.00 H new ATOM 0 HA CYS A 71 10.578 -10.559 -26.382 1.00 0.00 H new ATOM 0 HB2 CYS A 71 8.489 -11.530 -24.395 1.00 0.00 H new ATOM 0 HB3 CYS A 71 8.439 -11.900 -26.107 1.00 0.00 H new ATOM 0 HG CYS A 71 9.676 -14.097 -24.769 1.00 0.00 H new ATOM 1095 N PHE A 72 9.288 -7.983 -25.927 1.00 0.00 N ATOM 1096 CA PHE A 72 8.554 -6.878 -26.529 1.00 0.00 C ATOM 1097 C PHE A 72 9.541 -5.709 -26.518 1.00 0.00 C ATOM 1098 O PHE A 72 10.593 -5.773 -25.880 1.00 0.00 O ATOM 1099 CB PHE A 72 7.314 -6.587 -25.678 1.00 0.00 C ATOM 1100 CG PHE A 72 7.472 -5.632 -24.517 1.00 0.00 C ATOM 1101 CD1 PHE A 72 6.891 -4.359 -24.592 1.00 0.00 C ATOM 1102 CD2 PHE A 72 8.169 -6.012 -23.364 1.00 0.00 C ATOM 1103 CE1 PHE A 72 6.990 -3.477 -23.508 1.00 0.00 C ATOM 1104 CE2 PHE A 72 8.272 -5.127 -22.280 1.00 0.00 C ATOM 1105 CZ PHE A 72 7.676 -3.863 -22.351 1.00 0.00 C ATOM 0 H PHE A 72 10.047 -7.697 -25.309 1.00 0.00 H new ATOM 0 HA PHE A 72 8.202 -7.081 -27.541 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.540 -6.191 -26.336 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.945 -7.535 -25.286 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.366 -4.057 -25.487 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.628 -6.988 -23.309 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.537 -2.498 -23.565 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.811 -5.421 -21.392 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.745 -3.185 -21.513 1.00 0.00 H new ATOM 1115 N GLY A 73 9.213 -4.625 -27.229 1.00 0.00 N ATOM 1116 CA GLY A 73 10.131 -3.515 -27.402 1.00 0.00 C ATOM 1117 C GLY A 73 9.450 -2.215 -27.836 1.00 0.00 C ATOM 1118 O GLY A 73 8.225 -2.112 -27.872 1.00 0.00 O ATOM 0 H GLY A 73 8.313 -4.501 -27.692 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.659 -3.342 -26.464 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.881 -3.788 -28.145 1.00 0.00 H new ATOM 1122 N PHE A 74 10.293 -1.232 -28.159 1.00 0.00 N ATOM 1123 CA PHE A 74 9.927 0.125 -28.524 1.00 0.00 C ATOM 1124 C PHE A 74 10.694 0.700 -29.718 1.00 0.00 C ATOM 1125 O PHE A 74 11.875 0.415 -29.895 1.00 0.00 O ATOM 1126 CB PHE A 74 9.930 1.019 -27.277 1.00 0.00 C ATOM 1127 CG PHE A 74 10.250 2.472 -27.544 1.00 0.00 C ATOM 1128 CD1 PHE A 74 9.346 3.285 -28.243 1.00 0.00 C ATOM 1129 CD2 PHE A 74 11.468 3.003 -27.101 1.00 0.00 C ATOM 1130 CE1 PHE A 74 9.684 4.610 -28.549 1.00 0.00 C ATOM 1131 CE2 PHE A 74 11.819 4.319 -27.426 1.00 0.00 C ATOM 1132 CZ PHE A 74 10.927 5.122 -28.154 1.00 0.00 C ATOM 0 H PHE A 74 11.303 -1.376 -28.172 1.00 0.00 H new ATOM 0 HA PHE A 74 8.907 0.093 -28.908 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.952 0.958 -26.800 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.656 0.626 -26.566 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.388 2.889 -28.546 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.137 2.397 -26.508 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.988 5.235 -29.088 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.775 4.716 -27.117 1.00 0.00 H new ATOM 0 HZ PHE A 74 11.199 6.135 -28.410 1.00 0.00 H new ATOM 1142 N VAL A 75 10.015 1.511 -30.539 1.00 0.00 N ATOM 1143 CA VAL A 75 10.573 2.105 -31.753 1.00 0.00 C ATOM 1144 C VAL A 75 9.908 3.470 -31.964 1.00 0.00 C ATOM 1145 O VAL A 75 8.782 3.679 -31.517 1.00 0.00 O ATOM 1146 CB VAL A 75 10.298 1.169 -32.946 1.00 0.00 C ATOM 1147 CG1 VAL A 75 10.684 1.817 -34.277 1.00 0.00 C ATOM 1148 CG2 VAL A 75 11.066 -0.151 -32.824 1.00 0.00 C ATOM 0 H VAL A 75 9.044 1.776 -30.372 1.00 0.00 H new ATOM 0 HA VAL A 75 11.651 2.239 -31.665 1.00 0.00 H new ATOM 0 HB VAL A 75 9.226 0.974 -32.927 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.475 1.125 -35.093 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.106 2.730 -34.418 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.747 2.058 -34.270 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.844 -0.782 -33.685 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.136 0.053 -32.789 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.765 -0.664 -31.911 1.00 0.00 H new ATOM 1158 N SER A 76 10.585 4.407 -32.637 1.00 0.00 N ATOM 1159 CA SER A 76 10.021 5.727 -32.904 1.00 0.00 C ATOM 1160 C SER A 76 10.484 6.295 -34.246 1.00 0.00 C ATOM 1161 O SER A 76 11.609 6.051 -34.684 1.00 0.00 O ATOM 1162 CB SER A 76 10.373 6.693 -31.771 1.00 0.00 C ATOM 1163 OG SER A 76 11.766 6.927 -31.729 1.00 0.00 O ATOM 0 H SER A 76 11.526 4.271 -33.006 1.00 0.00 H new ATOM 0 HA SER A 76 8.939 5.611 -32.958 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.845 7.636 -31.913 1.00 0.00 H new ATOM 0 HB3 SER A 76 10.039 6.281 -30.818 1.00 0.00 H new ATOM 0 HG SER A 76 12.014 7.270 -30.845 1.00 0.00 H new ATOM 1169 N TYR A 77 9.597 7.058 -34.892 1.00 0.00 N ATOM 1170 CA TYR A 77 9.836 7.672 -36.191 1.00 0.00 C ATOM 1171 C TYR A 77 9.978 9.192 -36.166 1.00 0.00 C ATOM 1172 O TYR A 77 9.617 9.825 -35.179 1.00 0.00 O ATOM 1173 CB TYR A 77 8.751 7.243 -37.178 1.00 0.00 C ATOM 1174 CG TYR A 77 8.841 5.788 -37.568 1.00 0.00 C ATOM 1175 CD1 TYR A 77 8.241 4.825 -36.743 1.00 0.00 C ATOM 1176 CD2 TYR A 77 9.517 5.404 -38.735 1.00 0.00 C ATOM 1177 CE1 TYR A 77 8.330 3.471 -37.080 1.00 0.00 C ATOM 1178 CE2 TYR A 77 9.603 4.049 -39.080 1.00 0.00 C ATOM 1179 CZ TYR A 77 9.010 3.079 -38.250 1.00 0.00 C ATOM 1180 OH TYR A 77 9.094 1.760 -38.567 1.00 0.00 O ATOM 0 H TYR A 77 8.673 7.267 -34.513 1.00 0.00 H new ATOM 0 HA TYR A 77 10.809 7.307 -36.518 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.773 7.434 -36.737 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.822 7.858 -38.075 1.00 0.00 H new ATOM 0 HD1 TYR A 77 7.713 5.128 -35.851 1.00 0.00 H new ATOM 0 HD2 TYR A 77 9.971 6.152 -39.367 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.877 2.725 -36.443 1.00 0.00 H new ATOM 0 HE2 TYR A 77 10.122 3.750 -39.979 1.00 0.00 H new ATOM 0 HH TYR A 77 9.933 1.591 -39.044 1.00 0.00 H new ATOM 1190 N ASP A 78 10.498 9.791 -37.242 1.00 0.00 N ATOM 1191 CA ASP A 78 10.568 11.244 -37.341 1.00 0.00 C ATOM 1192 C ASP A 78 9.223 11.864 -37.724 1.00 0.00 C ATOM 1193 O ASP A 78 9.057 13.082 -37.651 1.00 0.00 O ATOM 1194 CB ASP A 78 11.669 11.695 -38.306 1.00 0.00 C ATOM 1195 CG ASP A 78 11.545 11.118 -39.714 1.00 0.00 C ATOM 1196 OD1 ASP A 78 10.632 10.296 -39.945 1.00 0.00 O ATOM 1197 OD2 ASP A 78 12.380 11.514 -40.559 1.00 0.00 O ATOM 0 H ASP A 78 10.873 9.292 -38.049 1.00 0.00 H new ATOM 0 HA ASP A 78 10.823 11.608 -36.346 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.657 12.783 -38.369 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.637 11.410 -37.893 1.00 0.00 H new ATOM 1202 N ASN A 79 8.266 11.028 -38.132 1.00 0.00 N ATOM 1203 CA ASN A 79 6.919 11.464 -38.450 1.00 0.00 C ATOM 1204 C ASN A 79 5.917 10.335 -38.225 1.00 0.00 C ATOM 1205 O ASN A 79 6.261 9.162 -38.377 1.00 0.00 O ATOM 1206 CB ASN A 79 6.835 12.014 -39.882 1.00 0.00 C ATOM 1207 CG ASN A 79 7.493 11.150 -40.954 1.00 0.00 C ATOM 1208 OD1 ASN A 79 7.897 11.663 -41.995 1.00 0.00 O ATOM 1209 ND2 ASN A 79 7.612 9.844 -40.733 1.00 0.00 N ATOM 0 H ASN A 79 8.412 10.025 -38.249 1.00 0.00 H new ATOM 0 HA ASN A 79 6.660 12.279 -37.774 1.00 0.00 H new ATOM 0 HB2 ASN A 79 5.785 12.147 -40.141 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.296 13.002 -39.902 1.00 0.00 H new ATOM 0 HD21 ASN A 79 8.046 9.245 -41.435 1.00 0.00 H new ATOM 0 HD22 ASN A 79 7.269 9.441 -39.861 1.00 0.00 H new ATOM 1216 N PRO A 80 4.674 10.675 -37.870 1.00 0.00 N ATOM 1217 CA PRO A 80 3.625 9.707 -37.602 1.00 0.00 C ATOM 1218 C PRO A 80 3.173 8.982 -38.871 1.00 0.00 C ATOM 1219 O PRO A 80 2.554 7.927 -38.779 1.00 0.00 O ATOM 1220 CB PRO A 80 2.488 10.522 -36.989 1.00 0.00 C ATOM 1221 CG PRO A 80 2.676 11.912 -37.593 1.00 0.00 C ATOM 1222 CD PRO A 80 4.193 12.031 -37.690 1.00 0.00 C ATOM 0 HA PRO A 80 3.971 8.917 -36.935 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.514 10.104 -37.241 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.553 10.545 -35.901 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.200 11.997 -38.570 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.248 12.690 -36.961 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.485 12.666 -38.527 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.610 12.480 -36.789 1.00 0.00 H new ATOM 1230 N VAL A 81 3.469 9.526 -40.055 1.00 0.00 N ATOM 1231 CA VAL A 81 3.073 8.891 -41.308 1.00 0.00 C ATOM 1232 C VAL A 81 3.757 7.538 -41.470 1.00 0.00 C ATOM 1233 O VAL A 81 3.115 6.546 -41.812 1.00 0.00 O ATOM 1234 CB VAL A 81 3.408 9.806 -42.490 1.00 0.00 C ATOM 1235 CG1 VAL A 81 2.874 9.210 -43.794 1.00 0.00 C ATOM 1236 CG2 VAL A 81 2.802 11.193 -42.285 1.00 0.00 C ATOM 0 H VAL A 81 3.980 10.402 -40.168 1.00 0.00 H new ATOM 0 HA VAL A 81 1.996 8.725 -41.286 1.00 0.00 H new ATOM 0 HB VAL A 81 4.493 9.895 -42.550 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.120 9.872 -44.624 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.329 8.234 -43.961 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.792 9.099 -43.727 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.051 11.828 -43.135 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.719 11.108 -42.201 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.203 11.634 -41.373 1.00 0.00 H new ATOM 1246 N SER A 82 5.065 7.499 -41.217 1.00 0.00 N ATOM 1247 CA SER A 82 5.841 6.272 -41.300 1.00 0.00 C ATOM 1248 C SER A 82 5.499 5.329 -40.151 1.00 0.00 C ATOM 1249 O SER A 82 5.668 4.119 -40.278 1.00 0.00 O ATOM 1250 CB SER A 82 7.327 6.607 -41.246 1.00 0.00 C ATOM 1251 OG SER A 82 7.693 7.401 -42.360 1.00 0.00 O ATOM 0 H SER A 82 5.611 8.318 -40.950 1.00 0.00 H new ATOM 0 HA SER A 82 5.600 5.777 -42.241 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.553 7.139 -40.322 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.914 5.688 -41.237 1.00 0.00 H new ATOM 0 HG SER A 82 8.669 7.477 -42.401 1.00 0.00 H new ATOM 1257 N ALA A 83 5.021 5.875 -39.029 1.00 0.00 N ATOM 1258 CA ALA A 83 4.687 5.067 -37.871 1.00 0.00 C ATOM 1259 C ALA A 83 3.427 4.249 -38.120 1.00 0.00 C ATOM 1260 O ALA A 83 3.420 3.050 -37.845 1.00 0.00 O ATOM 1261 CB ALA A 83 4.491 5.978 -36.659 1.00 0.00 C ATOM 0 H ALA A 83 4.859 6.875 -38.906 1.00 0.00 H new ATOM 0 HA ALA A 83 5.505 4.373 -37.681 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.240 5.374 -35.787 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.411 6.530 -36.466 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.682 6.681 -36.859 1.00 0.00 H new ATOM 1267 N GLN A 84 2.364 4.871 -38.636 1.00 0.00 N ATOM 1268 CA GLN A 84 1.119 4.157 -38.864 1.00 0.00 C ATOM 1269 C GLN A 84 1.281 3.133 -39.987 1.00 0.00 C ATOM 1270 O GLN A 84 0.588 2.116 -40.003 1.00 0.00 O ATOM 1271 CB GLN A 84 -0.003 5.148 -39.187 1.00 0.00 C ATOM 1272 CG GLN A 84 -0.200 6.173 -38.062 1.00 0.00 C ATOM 1273 CD GLN A 84 -0.341 5.525 -36.689 1.00 0.00 C ATOM 1274 OE1 GLN A 84 -1.054 4.540 -36.527 1.00 0.00 O ATOM 1275 NE2 GLN A 84 0.340 6.078 -35.689 1.00 0.00 N ATOM 0 H GLN A 84 2.346 5.856 -38.899 1.00 0.00 H new ATOM 0 HA GLN A 84 0.854 3.617 -37.955 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.228 5.668 -40.116 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.933 4.603 -39.350 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.647 6.859 -38.050 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.089 6.768 -38.271 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.923 6.897 -35.861 1.00 0.00 H new ATOM 0 HE22 GLN A 84 0.279 5.683 -34.751 1.00 0.00 H new ATOM 1284 N ALA A 85 2.197 3.387 -40.926 1.00 0.00 N ATOM 1285 CA ALA A 85 2.494 2.420 -41.973 1.00 0.00 C ATOM 1286 C ALA A 85 3.181 1.204 -41.364 1.00 0.00 C ATOM 1287 O ALA A 85 2.889 0.071 -41.744 1.00 0.00 O ATOM 1288 CB ALA A 85 3.410 3.057 -43.010 1.00 0.00 C ATOM 0 H ALA A 85 2.739 4.249 -40.978 1.00 0.00 H new ATOM 0 HA ALA A 85 1.566 2.109 -42.452 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.632 2.332 -43.793 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.916 3.925 -43.447 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.338 3.370 -42.532 1.00 0.00 H new ATOM 1294 N ALA A 86 4.095 1.438 -40.416 1.00 0.00 N ATOM 1295 CA ALA A 86 4.828 0.370 -39.771 1.00 0.00 C ATOM 1296 C ALA A 86 3.915 -0.499 -38.905 1.00 0.00 C ATOM 1297 O ALA A 86 4.220 -1.670 -38.688 1.00 0.00 O ATOM 1298 CB ALA A 86 5.947 0.982 -38.931 1.00 0.00 C ATOM 0 H ALA A 86 4.338 2.371 -40.084 1.00 0.00 H new ATOM 0 HA ALA A 86 5.251 -0.281 -40.536 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.508 0.188 -38.439 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.615 1.553 -39.576 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.517 1.643 -38.178 1.00 0.00 H new ATOM 1304 N ILE A 87 2.800 0.046 -38.409 1.00 0.00 N ATOM 1305 CA ILE A 87 1.851 -0.757 -37.653 1.00 0.00 C ATOM 1306 C ILE A 87 1.210 -1.771 -38.590 1.00 0.00 C ATOM 1307 O ILE A 87 1.202 -2.963 -38.304 1.00 0.00 O ATOM 1308 CB ILE A 87 0.779 0.110 -36.987 1.00 0.00 C ATOM 1309 CG1 ILE A 87 1.432 1.063 -35.979 1.00 0.00 C ATOM 1310 CG2 ILE A 87 -0.244 -0.799 -36.294 1.00 0.00 C ATOM 1311 CD1 ILE A 87 0.417 1.748 -35.059 1.00 0.00 C ATOM 0 H ILE A 87 2.540 1.026 -38.518 1.00 0.00 H new ATOM 0 HA ILE A 87 2.386 -1.272 -36.855 1.00 0.00 H new ATOM 0 HB ILE A 87 0.267 0.710 -37.739 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.147 0.507 -35.372 1.00 0.00 H new ATOM 0 HG13 ILE A 87 1.996 1.824 -36.519 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.010 -0.187 -35.818 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.709 -1.453 -37.032 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.259 -1.403 -35.539 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.940 2.409 -34.369 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.283 2.330 -35.659 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.130 0.993 -34.494 1.00 0.00 H new ATOM 1323 N GLN A 88 0.673 -1.295 -39.714 1.00 0.00 N ATOM 1324 CA GLN A 88 0.014 -2.164 -40.676 1.00 0.00 C ATOM 1325 C GLN A 88 1.016 -3.089 -41.368 1.00 0.00 C ATOM 1326 O GLN A 88 0.614 -4.032 -42.047 1.00 0.00 O ATOM 1327 CB GLN A 88 -0.722 -1.302 -41.704 1.00 0.00 C ATOM 1328 CG GLN A 88 -1.777 -0.400 -41.056 1.00 0.00 C ATOM 1329 CD GLN A 88 -2.893 -1.187 -40.373 1.00 0.00 C ATOM 1330 OE1 GLN A 88 -3.059 -2.384 -40.592 1.00 0.00 O ATOM 1331 NE2 GLN A 88 -3.674 -0.518 -39.533 1.00 0.00 N ATOM 0 H GLN A 88 0.684 -0.309 -39.976 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.700 -2.797 -40.149 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.001 -0.686 -42.242 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.201 -1.948 -42.440 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.294 0.247 -40.323 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.210 0.249 -41.817 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.514 0.476 -39.369 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.434 -0.998 -39.051 1.00 0.00 H new ATOM 1340 N ALA A 89 2.316 -2.828 -41.203 1.00 0.00 N ATOM 1341 CA ALA A 89 3.364 -3.625 -41.819 1.00 0.00 C ATOM 1342 C ALA A 89 3.864 -4.756 -40.917 1.00 0.00 C ATOM 1343 O ALA A 89 4.334 -5.773 -41.427 1.00 0.00 O ATOM 1344 CB ALA A 89 4.520 -2.700 -42.174 1.00 0.00 C ATOM 0 H ALA A 89 2.665 -2.055 -40.636 1.00 0.00 H new ATOM 0 HA ALA A 89 2.948 -4.100 -42.708 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.319 -3.278 -42.638 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.174 -1.935 -42.870 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.896 -2.223 -41.269 1.00 0.00 H new ATOM 1350 N MET A 90 3.775 -4.590 -39.592 1.00 0.00 N ATOM 1351 CA MET A 90 4.296 -5.578 -38.652 1.00 0.00 C ATOM 1352 C MET A 90 3.232 -6.151 -37.719 1.00 0.00 C ATOM 1353 O MET A 90 3.447 -7.207 -37.125 1.00 0.00 O ATOM 1354 CB MET A 90 5.461 -4.978 -37.867 1.00 0.00 C ATOM 1355 CG MET A 90 6.703 -4.861 -38.752 1.00 0.00 C ATOM 1356 SD MET A 90 7.385 -6.438 -39.326 1.00 0.00 S ATOM 1357 CE MET A 90 7.857 -7.185 -37.743 1.00 0.00 C ATOM 0 H MET A 90 3.345 -3.777 -39.150 1.00 0.00 H new ATOM 0 HA MET A 90 4.651 -6.425 -39.239 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.183 -3.994 -37.489 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.682 -5.602 -37.001 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.455 -4.252 -39.621 1.00 0.00 H new ATOM 0 HG3 MET A 90 7.476 -4.328 -38.199 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.280 -8.174 -37.919 1.00 0.00 H new ATOM 0 HE2 MET A 90 8.598 -6.556 -37.251 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.977 -7.275 -37.106 1.00 0.00 H new ATOM 1367 N ASN A 91 2.088 -5.483 -37.573 1.00 0.00 N ATOM 1368 CA ASN A 91 0.996 -6.031 -36.787 1.00 0.00 C ATOM 1369 C ASN A 91 0.485 -7.287 -37.495 1.00 0.00 C ATOM 1370 O ASN A 91 0.248 -7.269 -38.703 1.00 0.00 O ATOM 1371 CB ASN A 91 -0.113 -4.987 -36.643 1.00 0.00 C ATOM 1372 CG ASN A 91 -1.176 -5.402 -35.638 1.00 0.00 C ATOM 1373 OD1 ASN A 91 -0.981 -6.324 -34.851 1.00 0.00 O ATOM 1374 ND2 ASN A 91 -2.312 -4.714 -35.659 1.00 0.00 N ATOM 0 H ASN A 91 1.899 -4.570 -37.987 1.00 0.00 H new ATOM 0 HA ASN A 91 1.335 -6.294 -35.785 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.324 -4.038 -36.334 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.580 -4.822 -37.614 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.060 -4.945 -35.006 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.436 -3.954 -36.328 1.00 0.00 H new ATOM 1381 N GLY A 92 0.321 -8.376 -36.743 1.00 0.00 N ATOM 1382 CA GLY A 92 -0.134 -9.640 -37.293 1.00 0.00 C ATOM 1383 C GLY A 92 0.965 -10.372 -38.066 1.00 0.00 C ATOM 1384 O GLY A 92 0.673 -11.374 -38.715 1.00 0.00 O ATOM 0 H GLY A 92 0.501 -8.400 -35.739 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.491 -10.277 -36.484 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.981 -9.461 -37.955 1.00 0.00 H new ATOM 1388 N PHE A 93 2.216 -9.899 -38.012 1.00 0.00 N ATOM 1389 CA PHE A 93 3.317 -10.594 -38.670 1.00 0.00 C ATOM 1390 C PHE A 93 3.544 -11.939 -37.979 1.00 0.00 C ATOM 1391 O PHE A 93 3.930 -11.964 -36.811 1.00 0.00 O ATOM 1392 CB PHE A 93 4.574 -9.722 -38.627 1.00 0.00 C ATOM 1393 CG PHE A 93 5.798 -10.363 -39.241 1.00 0.00 C ATOM 1394 CD1 PHE A 93 6.138 -10.080 -40.573 1.00 0.00 C ATOM 1395 CD2 PHE A 93 6.600 -11.238 -38.489 1.00 0.00 C ATOM 1396 CE1 PHE A 93 7.280 -10.661 -41.148 1.00 0.00 C ATOM 1397 CE2 PHE A 93 7.735 -11.818 -39.065 1.00 0.00 C ATOM 1398 CZ PHE A 93 8.078 -11.531 -40.393 1.00 0.00 C ATOM 0 H PHE A 93 2.485 -9.045 -37.523 1.00 0.00 H new ATOM 0 HA PHE A 93 3.075 -10.781 -39.716 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.370 -8.785 -39.146 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.792 -9.471 -37.589 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.520 -9.414 -41.157 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.340 -11.463 -37.465 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.543 -10.437 -42.171 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.349 -12.490 -38.484 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.956 -11.980 -40.834 1.00 0.00 H new ATOM 1408 N GLN A 94 3.312 -13.056 -38.671 1.00 0.00 N ATOM 1409 CA GLN A 94 3.463 -14.358 -38.043 1.00 0.00 C ATOM 1410 C GLN A 94 4.934 -14.710 -37.866 1.00 0.00 C ATOM 1411 O GLN A 94 5.718 -14.632 -38.813 1.00 0.00 O ATOM 1412 CB GLN A 94 2.725 -15.436 -38.838 1.00 0.00 C ATOM 1413 CG GLN A 94 2.910 -16.789 -38.143 1.00 0.00 C ATOM 1414 CD GLN A 94 2.032 -17.885 -38.733 1.00 0.00 C ATOM 1415 OE1 GLN A 94 1.305 -17.675 -39.701 1.00 0.00 O ATOM 1416 NE2 GLN A 94 2.097 -19.078 -38.146 1.00 0.00 N ATOM 0 H GLN A 94 3.024 -13.081 -39.649 1.00 0.00 H new ATOM 0 HA GLN A 94 3.013 -14.310 -37.051 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.665 -15.192 -38.908 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.110 -15.481 -39.857 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.955 -17.089 -38.216 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.683 -16.681 -37.082 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.711 -19.219 -37.344 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.533 -19.851 -38.498 1.00 0.00 H new ATOM 1425 N ILE A 95 5.299 -15.100 -36.643 1.00 0.00 N ATOM 1426 CA ILE A 95 6.638 -15.558 -36.317 1.00 0.00 C ATOM 1427 C ILE A 95 6.519 -16.654 -35.263 1.00 0.00 C ATOM 1428 O ILE A 95 5.953 -16.442 -34.192 1.00 0.00 O ATOM 1429 CB ILE A 95 7.484 -14.361 -35.869 1.00 0.00 C ATOM 1430 CG1 ILE A 95 8.943 -14.778 -35.676 1.00 0.00 C ATOM 1431 CG2 ILE A 95 6.960 -13.728 -34.577 1.00 0.00 C ATOM 1432 CD1 ILE A 95 9.837 -13.543 -35.550 1.00 0.00 C ATOM 0 H ILE A 95 4.661 -15.104 -35.847 1.00 0.00 H new ATOM 0 HA ILE A 95 7.147 -15.987 -37.180 1.00 0.00 H new ATOM 0 HB ILE A 95 7.414 -13.614 -36.660 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.037 -15.395 -34.783 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.269 -15.386 -36.520 1.00 0.00 H new ATOM 0 HG21 ILE A 95 7.594 -12.885 -34.302 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.939 -13.380 -34.731 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.974 -14.468 -33.777 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.872 -13.856 -35.413 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.756 -12.941 -36.455 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.520 -12.951 -34.692 1.00 0.00 H new ATOM 1444 N GLY A 96 7.047 -17.842 -35.554 1.00 0.00 N ATOM 1445 CA GLY A 96 6.862 -18.975 -34.664 1.00 0.00 C ATOM 1446 C GLY A 96 5.375 -19.335 -34.571 1.00 0.00 C ATOM 1447 O GLY A 96 4.642 -19.245 -35.557 1.00 0.00 O ATOM 0 H GLY A 96 7.599 -18.039 -36.389 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.429 -19.831 -35.030 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.249 -18.736 -33.673 1.00 0.00 H new ATOM 1451 N MET A 97 4.936 -19.741 -33.381 1.00 0.00 N ATOM 1452 CA MET A 97 3.567 -20.176 -33.134 1.00 0.00 C ATOM 1453 C MET A 97 2.616 -19.021 -32.807 1.00 0.00 C ATOM 1454 O MET A 97 1.498 -19.266 -32.356 1.00 0.00 O ATOM 1455 CB MET A 97 3.559 -21.216 -32.017 1.00 0.00 C ATOM 1456 CG MET A 97 4.387 -22.437 -32.425 1.00 0.00 C ATOM 1457 SD MET A 97 4.467 -23.745 -31.176 1.00 0.00 S ATOM 1458 CE MET A 97 5.399 -22.879 -29.888 1.00 0.00 C ATOM 0 H MET A 97 5.530 -19.777 -32.553 1.00 0.00 H new ATOM 0 HA MET A 97 3.194 -20.618 -34.058 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.964 -20.782 -31.103 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.535 -21.518 -31.799 1.00 0.00 H new ATOM 0 HG2 MET A 97 3.969 -22.853 -33.342 1.00 0.00 H new ATOM 0 HG3 MET A 97 5.401 -22.111 -32.656 1.00 0.00 H new ATOM 0 HE1 MET A 97 5.787 -23.602 -29.171 1.00 0.00 H new ATOM 0 HE2 MET A 97 6.229 -22.337 -30.341 1.00 0.00 H new ATOM 0 HE3 MET A 97 4.743 -22.175 -29.375 1.00 0.00 H new ATOM 1468 N LYS A 98 3.030 -17.766 -33.024 1.00 0.00 N ATOM 1469 CA LYS A 98 2.199 -16.608 -32.690 1.00 0.00 C ATOM 1470 C LYS A 98 2.447 -15.470 -33.684 1.00 0.00 C ATOM 1471 O LYS A 98 3.369 -15.538 -34.492 1.00 0.00 O ATOM 1472 CB LYS A 98 2.493 -16.185 -31.243 1.00 0.00 C ATOM 1473 CG LYS A 98 1.346 -15.364 -30.648 1.00 0.00 C ATOM 1474 CD LYS A 98 1.607 -15.075 -29.166 1.00 0.00 C ATOM 1475 CE LYS A 98 0.392 -14.425 -28.500 1.00 0.00 C ATOM 1476 NZ LYS A 98 -0.762 -15.346 -28.482 1.00 0.00 N ATOM 0 H LYS A 98 3.936 -17.529 -33.429 1.00 0.00 H new ATOM 0 HA LYS A 98 1.143 -16.869 -32.764 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.661 -17.072 -30.632 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.412 -15.600 -31.215 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.240 -14.427 -31.194 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.407 -15.906 -30.759 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.853 -16.004 -28.651 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.472 -14.418 -29.069 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.645 -14.134 -27.480 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.125 -13.513 -29.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.455 -15.020 -27.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.206 -15.365 -29.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.439 -16.303 -28.232 1.00 0.00 H new ATOM 1490 N ARG A 99 1.623 -14.419 -33.630 1.00 0.00 N ATOM 1491 CA ARG A 99 1.756 -13.259 -34.509 1.00 0.00 C ATOM 1492 C ARG A 99 2.176 -12.042 -33.700 1.00 0.00 C ATOM 1493 O ARG A 99 1.702 -11.852 -32.582 1.00 0.00 O ATOM 1494 CB ARG A 99 0.434 -13.015 -35.237 1.00 0.00 C ATOM 1495 CG ARG A 99 -0.015 -14.262 -36.005 1.00 0.00 C ATOM 1496 CD ARG A 99 -1.378 -14.047 -36.670 1.00 0.00 C ATOM 1497 NE ARG A 99 -1.292 -13.088 -37.777 1.00 0.00 N ATOM 1498 CZ ARG A 99 -2.352 -12.562 -38.399 1.00 0.00 C ATOM 1499 NH1 ARG A 99 -3.590 -12.888 -38.040 1.00 0.00 N ATOM 1500 NH2 ARG A 99 -2.167 -11.698 -39.391 1.00 0.00 N ATOM 0 H ARG A 99 0.845 -14.351 -32.974 1.00 0.00 H new ATOM 0 HA ARG A 99 2.528 -13.448 -35.255 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.334 -12.732 -34.517 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.545 -12.180 -35.928 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.727 -14.511 -36.764 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.071 -15.111 -35.323 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -1.757 -14.999 -37.041 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -2.092 -13.686 -35.930 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.364 -12.805 -38.092 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -3.743 -13.549 -37.279 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -4.387 -12.477 -38.526 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.221 -11.440 -39.673 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -2.971 -11.292 -39.871 1.00 0.00 H new ATOM 1514 N LEU A 100 3.063 -11.217 -34.256 1.00 0.00 N ATOM 1515 CA LEU A 100 3.539 -10.014 -33.580 1.00 0.00 C ATOM 1516 C LEU A 100 2.413 -9.008 -33.387 1.00 0.00 C ATOM 1517 O LEU A 100 1.662 -8.723 -34.319 1.00 0.00 O ATOM 1518 CB LEU A 100 4.681 -9.374 -34.373 1.00 0.00 C ATOM 1519 CG LEU A 100 5.920 -10.268 -34.455 1.00 0.00 C ATOM 1520 CD1 LEU A 100 7.001 -9.548 -35.252 1.00 0.00 C ATOM 1521 CD2 LEU A 100 6.453 -10.569 -33.060 1.00 0.00 C ATOM 0 H LEU A 100 3.468 -11.363 -35.181 1.00 0.00 H new ATOM 0 HA LEU A 100 3.907 -10.307 -32.597 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.335 -9.148 -35.381 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.953 -8.426 -33.909 1.00 0.00 H new ATOM 0 HG LEU A 100 5.648 -11.205 -34.942 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.888 -10.179 -35.315 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.633 -9.338 -36.256 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.256 -8.612 -34.756 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.334 -11.206 -33.137 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.722 -9.636 -32.564 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.685 -11.080 -32.480 1.00 0.00 H new ATOM 1533 N LYS A 101 2.296 -8.465 -32.171 1.00 0.00 N ATOM 1534 CA LYS A 101 1.358 -7.392 -31.885 1.00 0.00 C ATOM 1535 C LYS A 101 2.085 -6.052 -31.989 1.00 0.00 C ATOM 1536 O LYS A 101 3.224 -5.947 -31.536 1.00 0.00 O ATOM 1537 CB LYS A 101 0.765 -7.613 -30.493 1.00 0.00 C ATOM 1538 CG LYS A 101 -0.297 -6.565 -30.141 1.00 0.00 C ATOM 1539 CD LYS A 101 -0.566 -6.582 -28.635 1.00 0.00 C ATOM 1540 CE LYS A 101 -0.899 -7.977 -28.104 1.00 0.00 C ATOM 1541 NZ LYS A 101 -2.211 -8.449 -28.585 1.00 0.00 N ATOM 0 H LYS A 101 2.849 -8.760 -31.366 1.00 0.00 H new ATOM 0 HA LYS A 101 0.540 -7.386 -32.605 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.322 -8.608 -30.443 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.563 -7.582 -29.751 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.041 -5.575 -30.448 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.218 -6.771 -30.686 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.309 -6.199 -28.111 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.392 -5.907 -28.411 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.125 -8.678 -28.415 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.896 -7.961 -27.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.400 -9.398 -28.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.953 -7.794 -28.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.206 -8.489 -29.624 1.00 0.00 H new ATOM 1555 N VAL A 102 1.441 -5.041 -32.576 1.00 0.00 N ATOM 1556 CA VAL A 102 2.018 -3.705 -32.695 1.00 0.00 C ATOM 1557 C VAL A 102 0.967 -2.662 -32.326 1.00 0.00 C ATOM 1558 O VAL A 102 -0.196 -2.812 -32.693 1.00 0.00 O ATOM 1559 CB VAL A 102 2.567 -3.493 -34.114 1.00 0.00 C ATOM 1560 CG1 VAL A 102 3.175 -2.101 -34.296 1.00 0.00 C ATOM 1561 CG2 VAL A 102 3.636 -4.533 -34.448 1.00 0.00 C ATOM 0 H VAL A 102 0.508 -5.127 -32.980 1.00 0.00 H new ATOM 0 HA VAL A 102 2.854 -3.597 -32.004 1.00 0.00 H new ATOM 0 HB VAL A 102 1.717 -3.598 -34.788 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.550 -1.998 -35.314 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.413 -1.344 -34.111 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.996 -1.968 -33.592 1.00 0.00 H new ATOM 0 HG21 VAL A 102 4.008 -4.361 -35.458 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.459 -4.449 -33.739 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.204 -5.532 -34.386 1.00 0.00 H new ATOM 1571 N GLN A 103 1.363 -1.603 -31.604 1.00 0.00 N ATOM 1572 CA GLN A 103 0.425 -0.570 -31.174 1.00 0.00 C ATOM 1573 C GLN A 103 1.124 0.773 -30.949 1.00 0.00 C ATOM 1574 O GLN A 103 2.346 0.826 -30.840 1.00 0.00 O ATOM 1575 CB GLN A 103 -0.268 -1.052 -29.893 1.00 0.00 C ATOM 1576 CG GLN A 103 -1.400 -0.114 -29.474 1.00 0.00 C ATOM 1577 CD GLN A 103 -2.403 -0.780 -28.538 1.00 0.00 C ATOM 1578 OE1 GLN A 103 -3.554 -0.355 -28.459 1.00 0.00 O ATOM 1579 NE2 GLN A 103 -1.997 -1.818 -27.817 1.00 0.00 N ATOM 0 H GLN A 103 2.326 -1.445 -31.309 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.314 -0.405 -31.958 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.666 -2.055 -30.050 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.463 -1.122 -29.088 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.977 0.762 -28.982 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.920 0.241 -30.364 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -1.037 -2.152 -27.900 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -2.645 -2.281 -27.180 1.00 0.00 H new ATOM 1588 N LEU A 104 0.357 1.864 -30.882 1.00 0.00 N ATOM 1589 CA LEU A 104 0.874 3.194 -30.580 1.00 0.00 C ATOM 1590 C LEU A 104 1.090 3.360 -29.070 1.00 0.00 C ATOM 1591 O LEU A 104 0.392 2.743 -28.263 1.00 0.00 O ATOM 1592 CB LEU A 104 -0.140 4.228 -31.092 1.00 0.00 C ATOM 1593 CG LEU A 104 0.507 5.341 -31.918 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -0.595 6.186 -32.548 1.00 0.00 C ATOM 1595 CD2 LEU A 104 1.367 6.261 -31.054 1.00 0.00 C ATOM 0 H LEU A 104 -0.651 1.845 -31.038 1.00 0.00 H new ATOM 0 HA LEU A 104 1.837 3.338 -31.069 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.891 3.722 -31.699 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.661 4.669 -30.242 1.00 0.00 H new ATOM 0 HG LEU A 104 1.141 4.874 -32.672 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.148 6.984 -33.140 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.212 5.559 -33.191 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.214 6.620 -31.763 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.809 7.038 -31.678 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.747 6.722 -30.285 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.160 5.681 -30.582 1.00 0.00 H new ATOM 1607 N LYS A 105 2.055 4.195 -28.672 1.00 0.00 N ATOM 1608 CA LYS A 105 2.272 4.542 -27.272 1.00 0.00 C ATOM 1609 C LYS A 105 1.107 5.401 -26.777 1.00 0.00 C ATOM 1610 O LYS A 105 0.455 6.077 -27.575 1.00 0.00 O ATOM 1611 CB LYS A 105 3.605 5.284 -27.126 1.00 0.00 C ATOM 1612 CG LYS A 105 3.907 5.570 -25.649 1.00 0.00 C ATOM 1613 CD LYS A 105 5.300 6.172 -25.463 1.00 0.00 C ATOM 1614 CE LYS A 105 5.539 6.454 -23.977 1.00 0.00 C ATOM 1615 NZ LYS A 105 5.542 5.220 -23.171 1.00 0.00 N ATOM 0 H LYS A 105 2.705 4.647 -29.315 1.00 0.00 H new ATOM 0 HA LYS A 105 2.317 3.637 -26.666 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.408 4.687 -27.558 1.00 0.00 H new ATOM 0 HB3 LYS A 105 3.569 6.220 -27.683 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.158 6.255 -25.250 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.831 4.646 -25.076 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.058 5.486 -25.841 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.390 7.094 -26.038 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.492 6.968 -23.855 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.765 7.126 -23.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.936 5.421 -22.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.568 4.868 -23.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.124 4.499 -23.643 1.00 0.00 H new