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 34 TYR OH : rot 53:sc= 0.873 USER MOD Set 1.2: A 103 GLN :FLIP amide:sc= -0.0458 F(o=-0.43!,f=0.83) USER MOD Set 2.1: A 79 ASN :FLIP amide:sc= 0.546 F(o=0.5,f=1.2) USER MOD Set 2.2: A 82 SER OG : rot 101:sc= 0.612 USER MOD Set 3.1: A 43 GLN : amide:sc= -0.232 K(o=0.35,f=-1.4) USER MOD Set 3.2: A 47 GLN : amide:sc= 0.639 K(o=0.35,f=-1.4) USER MOD Set 3.3: A 50 MET CE :methyl -177:sc= -0.053 (180deg=-0.0154) USER MOD Set 4.1: A 48 MET CE :methyl -175:sc= -0.385 (180deg=-0.479) USER MOD Set 4.2: A 90 MET CE :methyl 172:sc= -0.895 (180deg=-0.597) USER MOD Single : A 30 ASN : amide:sc=-0.00656 X(o=-0.0066,f=-0.18) USER MOD Single : A 35 HIS : no HE2:sc= -0.732 K(o=-0.73,f=-4.8!) USER MOD Single : A 38 GLN : amide:sc= 0.259 X(o=0.26,f=-0.17) USER MOD Single : A 54 ASN : amide:sc= -0.0225 K(o=-0.022,f=-0.77) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0.792 K(o=0.79,f=-0.027) USER MOD Single : A 66 THR OG1 : rot -170:sc= 0.0778 USER MOD Single : A 67 ASN : amide:sc= -0.196 K(o=-0.2,f=-1.3!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 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 35:sc= 0.697 USER MOD Single : A 77 TYR OH : rot -147:sc= 0.624 USER MOD Single : A 84 GLN : amide:sc= -0.967 X(o=-0.97,f=-0.7) USER MOD Single : A 88 GLN : amide:sc= -0.178 K(o=-0.18,f=-1.4) USER MOD Single : A 91 ASN : amide:sc=-0.00646 K(o=-0.0065,f=-1.6) USER MOD Single : A 94 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.3) USER MOD Single : A 97 MET CE :methyl 167:sc= -0.0137 (180deg=-0.249) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0304) USER MOD Single : A 105 LYS NZ :NH3+ 164:sc= -0.0284 (180deg=-0.335) USER MOD ----------------------------------------------------------------- ATOM 344 N GLU A 24 13.031 10.401 -29.370 1.00 0.00 N ATOM 345 CA GLU A 24 11.626 10.359 -29.747 1.00 0.00 C ATOM 346 C GLU A 24 11.302 11.439 -30.776 1.00 0.00 C ATOM 347 O GLU A 24 11.932 12.497 -30.793 1.00 0.00 O ATOM 348 CB GLU A 24 10.748 10.538 -28.509 1.00 0.00 C ATOM 349 CG GLU A 24 11.023 9.443 -27.481 1.00 0.00 C ATOM 350 CD GLU A 24 9.971 9.416 -26.373 1.00 0.00 C ATOM 351 OE1 GLU A 24 9.130 10.345 -26.331 1.00 0.00 O ATOM 352 OE2 GLU A 24 10.013 8.459 -25.571 1.00 0.00 O ATOM 0 HA GLU A 24 11.423 9.387 -30.197 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.935 11.515 -28.064 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.697 10.515 -28.798 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.047 8.475 -27.981 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.008 9.599 -27.041 1.00 0.00 H new ATOM 359 N GLY A 25 10.315 11.159 -31.629 1.00 0.00 N ATOM 360 CA GLY A 25 9.844 12.086 -32.644 1.00 0.00 C ATOM 361 C GLY A 25 8.656 12.912 -32.143 1.00 0.00 C ATOM 362 O GLY A 25 8.436 13.015 -30.935 1.00 0.00 O ATOM 0 H GLY A 25 9.818 10.268 -31.629 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.656 12.753 -32.933 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.553 11.532 -33.537 1.00 0.00 H new ATOM 366 N PRO A 26 7.885 13.501 -33.067 1.00 0.00 N ATOM 367 CA PRO A 26 6.700 14.283 -32.759 1.00 0.00 C ATOM 368 C PRO A 26 5.587 13.381 -32.220 1.00 0.00 C ATOM 369 O PRO A 26 5.745 12.167 -32.119 1.00 0.00 O ATOM 370 CB PRO A 26 6.307 14.940 -34.087 1.00 0.00 C ATOM 371 CG PRO A 26 6.819 13.945 -35.130 1.00 0.00 C ATOM 372 CD PRO A 26 8.109 13.434 -34.500 1.00 0.00 C ATOM 0 HA PRO A 26 6.879 15.029 -31.984 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.229 15.084 -34.162 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.769 15.920 -34.204 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.107 13.139 -35.305 1.00 0.00 H new ATOM 0 HG3 PRO A 26 7.000 14.424 -36.092 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.325 12.414 -34.818 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.961 14.047 -34.795 1.00 0.00 H new ATOM 380 N GLU A 27 4.445 13.976 -31.871 1.00 0.00 N ATOM 381 CA GLU A 27 3.321 13.232 -31.330 1.00 0.00 C ATOM 382 C GLU A 27 2.816 12.185 -32.325 1.00 0.00 C ATOM 383 O GLU A 27 2.680 12.457 -33.516 1.00 0.00 O ATOM 384 CB GLU A 27 2.208 14.213 -30.936 1.00 0.00 C ATOM 385 CG GLU A 27 0.904 13.523 -30.513 1.00 0.00 C ATOM 386 CD GLU A 27 1.035 12.704 -29.230 1.00 0.00 C ATOM 387 OE1 GLU A 27 0.008 12.119 -28.821 1.00 0.00 O ATOM 388 OE2 GLU A 27 2.150 12.660 -28.661 1.00 0.00 O ATOM 0 H GLU A 27 4.280 14.979 -31.957 1.00 0.00 H new ATOM 0 HA GLU A 27 3.647 12.691 -30.442 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.560 14.840 -30.117 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.003 14.874 -31.778 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.131 14.279 -30.375 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.570 12.870 -31.319 1.00 0.00 H new ATOM 395 N GLY A 28 2.540 10.978 -31.821 1.00 0.00 N ATOM 396 CA GLY A 28 2.004 9.884 -32.615 1.00 0.00 C ATOM 397 C GLY A 28 3.072 9.186 -33.455 1.00 0.00 C ATOM 398 O GLY A 28 2.771 8.217 -34.150 1.00 0.00 O ATOM 0 H GLY A 28 2.686 10.738 -30.841 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.535 9.156 -31.953 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.223 10.266 -33.272 1.00 0.00 H new ATOM 402 N ALA A 29 4.320 9.661 -33.396 1.00 0.00 N ATOM 403 CA ALA A 29 5.426 9.102 -34.155 1.00 0.00 C ATOM 404 C ALA A 29 6.182 8.051 -33.344 1.00 0.00 C ATOM 405 O ALA A 29 7.407 7.980 -33.412 1.00 0.00 O ATOM 406 CB ALA A 29 6.342 10.228 -34.622 1.00 0.00 C ATOM 0 H ALA A 29 4.586 10.453 -32.811 1.00 0.00 H new ATOM 0 HA ALA A 29 5.033 8.590 -35.033 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.172 9.809 -35.191 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.780 10.916 -35.253 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.730 10.764 -33.756 1.00 0.00 H new ATOM 412 N ASN A 30 5.466 7.229 -32.570 1.00 0.00 N ATOM 413 CA ASN A 30 6.090 6.206 -31.746 1.00 0.00 C ATOM 414 C ASN A 30 5.239 4.942 -31.693 1.00 0.00 C ATOM 415 O ASN A 30 4.013 5.024 -31.691 1.00 0.00 O ATOM 416 CB ASN A 30 6.406 6.752 -30.350 1.00 0.00 C ATOM 417 CG ASN A 30 5.380 7.771 -29.874 1.00 0.00 C ATOM 418 OD1 ASN A 30 4.178 7.536 -29.934 1.00 0.00 O ATOM 419 ND2 ASN A 30 5.854 8.916 -29.391 1.00 0.00 N ATOM 0 H ASN A 30 4.449 7.258 -32.502 1.00 0.00 H new ATOM 0 HA ASN A 30 7.037 5.926 -32.206 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.447 5.925 -29.641 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.394 7.213 -30.359 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.211 9.633 -29.055 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.861 9.077 -29.356 1.00 0.00 H new ATOM 426 N LEU A 31 5.888 3.775 -31.649 1.00 0.00 N ATOM 427 CA LEU A 31 5.204 2.494 -31.750 1.00 0.00 C ATOM 428 C LEU A 31 5.595 1.517 -30.648 1.00 0.00 C ATOM 429 O LEU A 31 6.657 1.623 -30.034 1.00 0.00 O ATOM 430 CB LEU A 31 5.519 1.825 -33.093 1.00 0.00 C ATOM 431 CG LEU A 31 5.123 2.642 -34.321 1.00 0.00 C ATOM 432 CD1 LEU A 31 5.416 1.805 -35.563 1.00 0.00 C ATOM 433 CD2 LEU A 31 3.635 2.977 -34.317 1.00 0.00 C ATOM 0 H LEU A 31 6.899 3.697 -31.543 1.00 0.00 H new ATOM 0 HA LEU A 31 4.142 2.719 -31.655 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.589 1.620 -33.139 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.008 0.863 -33.133 1.00 0.00 H new ATOM 0 HG LEU A 31 5.689 3.574 -34.313 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.141 2.368 -36.455 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.479 1.566 -35.598 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.838 0.882 -35.524 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.391 3.559 -35.206 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.054 2.055 -34.316 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.395 3.557 -33.426 1.00 0.00 H new ATOM 445 N PHE A 32 4.698 0.559 -30.430 1.00 0.00 N ATOM 446 CA PHE A 32 4.898 -0.602 -29.587 1.00 0.00 C ATOM 447 C PHE A 32 4.942 -1.918 -30.340 1.00 0.00 C ATOM 448 O PHE A 32 4.216 -2.084 -31.316 1.00 0.00 O ATOM 449 CB PHE A 32 3.916 -0.631 -28.421 1.00 0.00 C ATOM 450 CG PHE A 32 4.341 0.209 -27.253 1.00 0.00 C ATOM 451 CD1 PHE A 32 4.242 1.606 -27.309 1.00 0.00 C ATOM 452 CD2 PHE A 32 4.841 -0.420 -26.105 1.00 0.00 C ATOM 453 CE1 PHE A 32 4.653 2.373 -26.210 1.00 0.00 C ATOM 454 CE2 PHE A 32 5.231 0.347 -25.003 1.00 0.00 C ATOM 455 CZ PHE A 32 5.140 1.744 -25.057 1.00 0.00 C ATOM 0 H PHE A 32 3.772 0.578 -30.858 1.00 0.00 H new ATOM 0 HA PHE A 32 5.899 -0.489 -29.170 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.942 -0.287 -28.769 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.790 -1.662 -28.089 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.852 2.088 -28.193 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.925 -1.496 -26.071 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.594 3.451 -26.252 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.602 -0.137 -24.111 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.446 2.337 -24.208 1.00 0.00 H new ATOM 465 N ILE A 33 5.785 -2.846 -29.890 1.00 0.00 N ATOM 466 CA ILE A 33 5.919 -4.142 -30.527 1.00 0.00 C ATOM 467 C ILE A 33 6.005 -5.199 -29.435 1.00 0.00 C ATOM 468 O ILE A 33 6.865 -5.100 -28.567 1.00 0.00 O ATOM 469 CB ILE A 33 7.159 -4.179 -31.432 1.00 0.00 C ATOM 470 CG1 ILE A 33 7.264 -2.992 -32.405 1.00 0.00 C ATOM 471 CG2 ILE A 33 7.141 -5.479 -32.236 1.00 0.00 C ATOM 472 CD1 ILE A 33 7.946 -1.768 -31.787 1.00 0.00 C ATOM 0 H ILE A 33 6.388 -2.716 -29.078 1.00 0.00 H new ATOM 0 HA ILE A 33 5.055 -4.338 -31.162 1.00 0.00 H new ATOM 0 HB ILE A 33 8.026 -4.116 -30.775 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.820 -3.303 -33.289 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.264 -2.714 -32.739 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.017 -5.518 -32.884 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.156 -6.329 -31.554 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.238 -5.518 -32.845 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.989 -0.965 -32.523 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.377 -1.434 -30.919 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.957 -2.032 -31.478 1.00 0.00 H new ATOM 484 N TYR A 34 5.130 -6.206 -29.474 1.00 0.00 N ATOM 485 CA TYR A 34 5.085 -7.242 -28.453 1.00 0.00 C ATOM 486 C TYR A 34 5.110 -8.592 -29.171 1.00 0.00 C ATOM 487 O TYR A 34 5.147 -8.663 -30.399 1.00 0.00 O ATOM 488 CB TYR A 34 3.768 -7.117 -27.676 1.00 0.00 C ATOM 489 CG TYR A 34 3.325 -5.709 -27.331 1.00 0.00 C ATOM 490 CD1 TYR A 34 3.808 -5.072 -26.179 1.00 0.00 C ATOM 491 CD2 TYR A 34 2.405 -5.048 -28.156 1.00 0.00 C ATOM 492 CE1 TYR A 34 3.367 -3.782 -25.843 1.00 0.00 C ATOM 493 CE2 TYR A 34 1.934 -3.774 -27.817 1.00 0.00 C ATOM 494 CZ TYR A 34 2.416 -3.134 -26.656 1.00 0.00 C ATOM 495 OH TYR A 34 1.957 -1.893 -26.325 1.00 0.00 O ATOM 0 H TYR A 34 4.437 -6.322 -30.214 1.00 0.00 H new ATOM 0 HA TYR A 34 5.925 -7.149 -27.765 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.979 -7.591 -28.260 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.862 -7.683 -26.749 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.523 -5.577 -25.546 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.057 -5.525 -29.060 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.755 -3.288 -24.965 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.204 -3.283 -28.443 1.00 0.00 H new ATOM 0 HH TYR A 34 2.717 -1.291 -26.180 1.00 0.00 H new ATOM 505 N HIS A 35 5.085 -9.664 -28.373 1.00 0.00 N ATOM 506 CA HIS A 35 5.126 -11.054 -28.816 1.00 0.00 C ATOM 507 C HIS A 35 6.441 -11.402 -29.520 1.00 0.00 C ATOM 508 O HIS A 35 6.524 -12.424 -30.200 1.00 0.00 O ATOM 509 CB HIS A 35 3.895 -11.405 -29.659 1.00 0.00 C ATOM 510 CG HIS A 35 2.558 -11.059 -29.050 1.00 0.00 C ATOM 511 ND1 HIS A 35 1.330 -11.294 -29.643 1.00 0.00 N ATOM 512 CD2 HIS A 35 2.321 -10.471 -27.836 1.00 0.00 C ATOM 513 CE1 HIS A 35 0.370 -10.861 -28.805 1.00 0.00 C ATOM 514 NE2 HIS A 35 0.956 -10.350 -27.704 1.00 0.00 N ATOM 0 H HIS A 35 5.033 -9.579 -27.358 1.00 0.00 H new ATOM 0 HA HIS A 35 5.092 -11.680 -27.925 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.978 -10.895 -30.619 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.913 -12.475 -29.865 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.179 -11.721 -30.557 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.065 -10.161 -27.117 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.694 -10.914 -28.985 1.00 0.00 H new ATOM 523 N LEU A 36 7.464 -10.563 -29.358 1.00 0.00 N ATOM 524 CA LEU A 36 8.773 -10.789 -29.955 1.00 0.00 C ATOM 525 C LEU A 36 9.473 -11.977 -29.284 1.00 0.00 C ATOM 526 O LEU A 36 9.369 -12.142 -28.072 1.00 0.00 O ATOM 527 CB LEU A 36 9.639 -9.536 -29.783 1.00 0.00 C ATOM 528 CG LEU A 36 9.099 -8.328 -30.551 1.00 0.00 C ATOM 529 CD1 LEU A 36 9.878 -7.082 -30.135 1.00 0.00 C ATOM 530 CD2 LEU A 36 9.285 -8.524 -32.055 1.00 0.00 C ATOM 0 H LEU A 36 7.405 -9.707 -28.807 1.00 0.00 H new ATOM 0 HA LEU A 36 8.638 -11.007 -31.014 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.703 -9.287 -28.724 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.652 -9.752 -30.121 1.00 0.00 H new ATOM 0 HG LEU A 36 8.038 -8.218 -30.325 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.498 -6.217 -30.679 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.758 -6.919 -29.064 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.935 -7.220 -30.365 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.895 -7.655 -32.586 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.346 -8.640 -32.278 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.747 -9.416 -32.375 1.00 0.00 H new ATOM 542 N PRO A 37 10.185 -12.806 -30.058 1.00 0.00 N ATOM 543 CA PRO A 37 11.031 -13.862 -29.529 1.00 0.00 C ATOM 544 C PRO A 37 12.296 -13.247 -28.928 1.00 0.00 C ATOM 545 O PRO A 37 12.606 -12.079 -29.174 1.00 0.00 O ATOM 546 CB PRO A 37 11.346 -14.754 -30.728 1.00 0.00 C ATOM 547 CG PRO A 37 11.344 -13.763 -31.886 1.00 0.00 C ATOM 548 CD PRO A 37 10.239 -12.778 -31.506 1.00 0.00 C ATOM 0 HA PRO A 37 10.556 -14.436 -28.733 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.310 -15.252 -30.621 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.597 -15.535 -30.861 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.308 -13.265 -31.991 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.135 -14.255 -32.836 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.462 -11.776 -31.872 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.284 -13.071 -31.941 1.00 0.00 H new ATOM 556 N GLN A 38 13.036 -14.029 -28.135 1.00 0.00 N ATOM 557 CA GLN A 38 14.207 -13.530 -27.426 1.00 0.00 C ATOM 558 C GLN A 38 15.415 -13.315 -28.339 1.00 0.00 C ATOM 559 O GLN A 38 16.436 -12.793 -27.892 1.00 0.00 O ATOM 560 CB GLN A 38 14.558 -14.475 -26.281 1.00 0.00 C ATOM 561 CG GLN A 38 13.524 -14.354 -25.161 1.00 0.00 C ATOM 562 CD GLN A 38 13.921 -15.179 -23.943 1.00 0.00 C ATOM 563 OE1 GLN A 38 14.414 -16.297 -24.072 1.00 0.00 O ATOM 564 NE2 GLN A 38 13.707 -14.636 -22.749 1.00 0.00 N ATOM 0 H GLN A 38 12.838 -15.016 -27.971 1.00 0.00 H new ATOM 0 HA GLN A 38 13.949 -12.549 -27.028 1.00 0.00 H new ATOM 0 HB2 GLN A 38 14.592 -15.502 -26.645 1.00 0.00 H new ATOM 0 HB3 GLN A 38 15.550 -14.240 -25.897 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.418 -13.308 -24.874 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.551 -14.685 -25.525 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.296 -13.705 -22.678 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.954 -15.150 -21.903 1.00 0.00 H new ATOM 573 N GLU A 39 15.317 -13.706 -29.612 1.00 0.00 N ATOM 574 CA GLU A 39 16.397 -13.496 -30.567 1.00 0.00 C ATOM 575 C GLU A 39 16.439 -12.041 -31.055 1.00 0.00 C ATOM 576 O GLU A 39 17.390 -11.651 -31.731 1.00 0.00 O ATOM 577 CB GLU A 39 16.264 -14.487 -31.725 1.00 0.00 C ATOM 578 CG GLU A 39 14.919 -14.340 -32.443 1.00 0.00 C ATOM 579 CD GLU A 39 14.761 -15.361 -33.570 1.00 0.00 C ATOM 580 OE1 GLU A 39 13.662 -15.392 -34.163 1.00 0.00 O ATOM 581 OE2 GLU A 39 15.734 -16.103 -33.837 1.00 0.00 O ATOM 0 H GLU A 39 14.497 -14.171 -30.002 1.00 0.00 H new ATOM 0 HA GLU A 39 17.349 -13.681 -30.069 1.00 0.00 H new ATOM 0 HB2 GLU A 39 17.075 -14.328 -32.435 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.366 -15.504 -31.347 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.108 -14.463 -31.725 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.833 -13.333 -32.851 1.00 0.00 H new ATOM 588 N PHE A 40 15.424 -11.237 -30.721 1.00 0.00 N ATOM 589 CA PHE A 40 15.416 -9.812 -31.016 1.00 0.00 C ATOM 590 C PHE A 40 16.313 -8.959 -30.121 1.00 0.00 C ATOM 591 O PHE A 40 16.661 -9.361 -29.011 1.00 0.00 O ATOM 592 CB PHE A 40 13.995 -9.250 -31.142 1.00 0.00 C ATOM 593 CG PHE A 40 13.307 -9.517 -32.466 1.00 0.00 C ATOM 594 CD1 PHE A 40 13.163 -10.829 -32.936 1.00 0.00 C ATOM 595 CD2 PHE A 40 12.804 -8.450 -33.228 1.00 0.00 C ATOM 596 CE1 PHE A 40 12.514 -11.077 -34.153 1.00 0.00 C ATOM 597 CE2 PHE A 40 12.144 -8.695 -34.443 1.00 0.00 C ATOM 598 CZ PHE A 40 12.003 -10.010 -34.903 1.00 0.00 C ATOM 0 H PHE A 40 14.587 -11.563 -30.238 1.00 0.00 H new ATOM 0 HA PHE A 40 15.881 -9.737 -31.999 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.384 -9.670 -30.343 1.00 0.00 H new ATOM 0 HB3 PHE A 40 14.033 -8.172 -30.982 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.554 -11.653 -32.358 1.00 0.00 H new ATOM 0 HD2 PHE A 40 12.925 -7.436 -32.878 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.408 -12.090 -34.512 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.747 -7.873 -35.020 1.00 0.00 H new ATOM 0 HZ PHE A 40 11.499 -10.202 -35.839 1.00 0.00 H new ATOM 608 N GLY A 41 16.686 -7.775 -30.611 1.00 0.00 N ATOM 609 CA GLY A 41 17.511 -6.835 -29.869 1.00 0.00 C ATOM 610 C GLY A 41 17.291 -5.417 -30.390 1.00 0.00 C ATOM 611 O GLY A 41 16.569 -5.226 -31.364 1.00 0.00 O ATOM 0 H GLY A 41 16.420 -7.445 -31.539 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.266 -6.883 -28.808 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.562 -7.107 -29.966 1.00 0.00 H new ATOM 615 N ASP A 42 17.910 -4.421 -29.750 1.00 0.00 N ATOM 616 CA ASP A 42 17.709 -3.022 -30.110 1.00 0.00 C ATOM 617 C ASP A 42 18.090 -2.791 -31.572 1.00 0.00 C ATOM 618 O ASP A 42 17.440 -2.016 -32.269 1.00 0.00 O ATOM 619 CB ASP A 42 18.591 -2.127 -29.231 1.00 0.00 C ATOM 620 CG ASP A 42 18.383 -2.322 -27.728 1.00 0.00 C ATOM 621 OD1 ASP A 42 19.145 -1.687 -26.966 1.00 0.00 O ATOM 622 OD2 ASP A 42 17.476 -3.094 -27.343 1.00 0.00 O ATOM 0 H ASP A 42 18.558 -4.563 -28.975 1.00 0.00 H new ATOM 0 HA ASP A 42 16.657 -2.777 -29.961 1.00 0.00 H new ATOM 0 HB2 ASP A 42 19.637 -2.320 -29.470 1.00 0.00 H new ATOM 0 HB3 ASP A 42 18.394 -1.084 -29.481 1.00 0.00 H new ATOM 627 N GLN A 43 19.146 -3.468 -32.032 1.00 0.00 N ATOM 628 CA GLN A 43 19.623 -3.319 -33.396 1.00 0.00 C ATOM 629 C GLN A 43 18.781 -4.148 -34.361 1.00 0.00 C ATOM 630 O GLN A 43 18.574 -3.755 -35.508 1.00 0.00 O ATOM 631 CB GLN A 43 21.088 -3.758 -33.450 1.00 0.00 C ATOM 632 CG GLN A 43 21.701 -3.588 -34.846 1.00 0.00 C ATOM 633 CD GLN A 43 21.704 -2.137 -35.324 1.00 0.00 C ATOM 634 OE1 GLN A 43 21.646 -1.879 -36.523 1.00 0.00 O ATOM 635 NE2 GLN A 43 21.772 -1.176 -34.408 1.00 0.00 N ATOM 0 H GLN A 43 19.685 -4.127 -31.470 1.00 0.00 H new ATOM 0 HA GLN A 43 19.537 -2.276 -33.699 1.00 0.00 H new ATOM 0 HB2 GLN A 43 21.665 -3.177 -32.730 1.00 0.00 H new ATOM 0 HB3 GLN A 43 21.162 -4.803 -33.149 1.00 0.00 H new ATOM 0 HG2 GLN A 43 22.724 -3.963 -34.836 1.00 0.00 H new ATOM 0 HG3 GLN A 43 21.145 -4.198 -35.558 1.00 0.00 H new ATOM 0 HE21 GLN A 43 21.819 -1.417 -33.418 1.00 0.00 H new ATOM 0 HE22 GLN A 43 21.777 -0.197 -34.695 1.00 0.00 H new ATOM 644 N ASP A 44 18.290 -5.297 -33.902 1.00 0.00 N ATOM 645 CA ASP A 44 17.486 -6.169 -34.741 1.00 0.00 C ATOM 646 C ASP A 44 16.081 -5.645 -35.013 1.00 0.00 C ATOM 647 O ASP A 44 15.571 -5.793 -36.125 1.00 0.00 O ATOM 648 CB ASP A 44 17.470 -7.594 -34.190 1.00 0.00 C ATOM 649 CG ASP A 44 18.804 -8.319 -34.375 1.00 0.00 C ATOM 650 OD1 ASP A 44 18.863 -9.506 -33.986 1.00 0.00 O ATOM 651 OD2 ASP A 44 19.759 -7.702 -34.897 1.00 0.00 O ATOM 0 H ASP A 44 18.437 -5.642 -32.953 1.00 0.00 H new ATOM 0 HA ASP A 44 17.973 -6.184 -35.716 1.00 0.00 H new ATOM 0 HB2 ASP A 44 17.222 -7.565 -33.129 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.682 -8.161 -34.686 1.00 0.00 H new ATOM 656 N ILE A 45 15.449 -5.033 -34.009 1.00 0.00 N ATOM 657 CA ILE A 45 14.134 -4.431 -34.191 1.00 0.00 C ATOM 658 C ILE A 45 14.291 -3.128 -34.973 1.00 0.00 C ATOM 659 O ILE A 45 13.359 -2.701 -35.650 1.00 0.00 O ATOM 660 CB ILE A 45 13.476 -4.209 -32.823 1.00 0.00 C ATOM 661 CG1 ILE A 45 11.975 -3.963 -33.016 1.00 0.00 C ATOM 662 CG2 ILE A 45 14.105 -3.029 -32.077 1.00 0.00 C ATOM 663 CD1 ILE A 45 11.248 -3.894 -31.674 1.00 0.00 C ATOM 0 H ILE A 45 15.828 -4.943 -33.066 1.00 0.00 H new ATOM 0 HA ILE A 45 13.482 -5.092 -34.762 1.00 0.00 H new ATOM 0 HB ILE A 45 13.634 -5.103 -32.220 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.824 -3.032 -33.562 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.548 -4.762 -33.623 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.612 -2.904 -31.113 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.166 -3.222 -31.920 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.985 -2.120 -32.667 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.186 -3.719 -31.844 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.379 -4.835 -31.140 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.659 -3.079 -31.079 1.00 0.00 H new ATOM 675 N LEU A 46 15.466 -2.491 -34.888 1.00 0.00 N ATOM 676 CA LEU A 46 15.747 -1.289 -35.654 1.00 0.00 C ATOM 677 C LEU A 46 15.780 -1.622 -37.143 1.00 0.00 C ATOM 678 O LEU A 46 15.083 -0.997 -37.939 1.00 0.00 O ATOM 679 CB LEU A 46 17.096 -0.710 -35.206 1.00 0.00 C ATOM 680 CG LEU A 46 17.533 0.488 -36.053 1.00 0.00 C ATOM 681 CD1 LEU A 46 16.634 1.698 -35.818 1.00 0.00 C ATOM 682 CD2 LEU A 46 18.969 0.858 -35.698 1.00 0.00 C ATOM 0 H LEU A 46 16.235 -2.797 -34.291 1.00 0.00 H new ATOM 0 HA LEU A 46 14.965 -0.550 -35.481 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.028 -0.406 -34.161 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.858 -1.488 -35.263 1.00 0.00 H new ATOM 0 HG LEU A 46 17.458 0.205 -37.103 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.974 2.529 -36.436 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.607 1.445 -36.083 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.678 1.985 -34.767 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.284 1.711 -36.299 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.027 1.118 -34.641 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.624 0.010 -35.900 1.00 0.00 H new ATOM 694 N GLN A 47 16.589 -2.616 -37.515 1.00 0.00 N ATOM 695 CA GLN A 47 16.760 -3.006 -38.906 1.00 0.00 C ATOM 696 C GLN A 47 15.466 -3.573 -39.485 1.00 0.00 C ATOM 697 O GLN A 47 15.284 -3.572 -40.701 1.00 0.00 O ATOM 698 CB GLN A 47 17.885 -4.040 -38.996 1.00 0.00 C ATOM 699 CG GLN A 47 19.232 -3.426 -38.597 1.00 0.00 C ATOM 700 CD GLN A 47 19.849 -2.582 -39.708 1.00 0.00 C ATOM 701 OE1 GLN A 47 19.369 -2.555 -40.837 1.00 0.00 O ATOM 702 NE2 GLN A 47 20.929 -1.875 -39.383 1.00 0.00 N ATOM 0 H GLN A 47 17.140 -3.169 -36.859 1.00 0.00 H new ATOM 0 HA GLN A 47 17.020 -2.125 -39.492 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.660 -4.885 -38.345 1.00 0.00 H new ATOM 0 HB3 GLN A 47 17.946 -4.428 -40.013 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.096 -2.807 -37.710 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.924 -4.224 -38.326 1.00 0.00 H new ATOM 0 HE21 GLN A 47 21.302 -1.921 -38.435 1.00 0.00 H new ATOM 0 HE22 GLN A 47 21.384 -1.288 -40.082 1.00 0.00 H new ATOM 711 N MET A 48 14.567 -4.057 -38.622 1.00 0.00 N ATOM 712 CA MET A 48 13.281 -4.579 -39.061 1.00 0.00 C ATOM 713 C MET A 48 12.291 -3.439 -39.315 1.00 0.00 C ATOM 714 O MET A 48 11.354 -3.602 -40.093 1.00 0.00 O ATOM 715 CB MET A 48 12.747 -5.533 -37.988 1.00 0.00 C ATOM 716 CG MET A 48 11.554 -6.336 -38.504 1.00 0.00 C ATOM 717 SD MET A 48 11.995 -7.528 -39.793 1.00 0.00 S ATOM 718 CE MET A 48 10.373 -8.281 -40.073 1.00 0.00 C ATOM 0 H MET A 48 14.713 -4.096 -37.613 1.00 0.00 H new ATOM 0 HA MET A 48 13.406 -5.118 -40.000 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.539 -6.214 -37.677 1.00 0.00 H new ATOM 0 HB3 MET A 48 12.451 -4.964 -37.107 1.00 0.00 H new ATOM 0 HG2 MET A 48 11.094 -6.867 -37.670 1.00 0.00 H new ATOM 0 HG3 MET A 48 10.805 -5.648 -38.896 1.00 0.00 H new ATOM 0 HE1 MET A 48 10.472 -9.106 -40.779 1.00 0.00 H new ATOM 0 HE2 MET A 48 9.978 -8.657 -39.129 1.00 0.00 H new ATOM 0 HE3 MET A 48 9.691 -7.535 -40.480 1.00 0.00 H new ATOM 728 N PHE A 49 12.499 -2.288 -38.663 1.00 0.00 N ATOM 729 CA PHE A 49 11.626 -1.130 -38.799 1.00 0.00 C ATOM 730 C PHE A 49 12.126 0.045 -39.645 1.00 0.00 C ATOM 731 O PHE A 49 11.346 0.938 -39.980 1.00 0.00 O ATOM 732 CB PHE A 49 11.046 -0.700 -37.449 1.00 0.00 C ATOM 733 CG PHE A 49 9.916 -1.572 -36.942 1.00 0.00 C ATOM 734 CD1 PHE A 49 8.616 -1.056 -36.860 1.00 0.00 C ATOM 735 CD2 PHE A 49 10.163 -2.896 -36.549 1.00 0.00 C ATOM 736 CE1 PHE A 49 7.565 -1.856 -36.394 1.00 0.00 C ATOM 737 CE2 PHE A 49 9.115 -3.699 -36.083 1.00 0.00 C ATOM 738 CZ PHE A 49 7.814 -3.180 -36.006 1.00 0.00 C ATOM 0 H PHE A 49 13.282 -2.140 -38.026 1.00 0.00 H new ATOM 0 HA PHE A 49 10.816 -1.505 -39.425 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.846 -0.698 -36.709 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.687 0.326 -37.533 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.423 -0.036 -37.158 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.164 -3.297 -36.606 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.565 -1.454 -36.334 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.308 -4.718 -35.783 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.005 -3.800 -35.648 1.00 0.00 H new ATOM 748 N MET A 50 13.415 0.063 -40.003 1.00 0.00 N ATOM 749 CA MET A 50 13.967 1.129 -40.828 1.00 0.00 C ATOM 750 C MET A 50 13.434 1.187 -42.267 1.00 0.00 C ATOM 751 O MET A 50 13.388 2.286 -42.816 1.00 0.00 O ATOM 752 CB MET A 50 15.496 1.054 -40.852 1.00 0.00 C ATOM 753 CG MET A 50 16.099 1.613 -39.560 1.00 0.00 C ATOM 754 SD MET A 50 17.835 2.103 -39.694 1.00 0.00 S ATOM 755 CE MET A 50 18.576 0.488 -40.035 1.00 0.00 C ATOM 0 H MET A 50 14.091 -0.651 -39.731 1.00 0.00 H new ATOM 0 HA MET A 50 13.630 2.049 -40.350 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.810 0.019 -40.984 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.877 1.614 -41.706 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.514 2.477 -39.245 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.006 0.862 -38.776 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.660 0.590 -40.095 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.321 -0.206 -39.234 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.194 0.105 -40.982 1.00 0.00 H new ATOM 765 N PRO A 51 13.027 0.085 -42.923 1.00 0.00 N ATOM 766 CA PRO A 51 12.506 0.173 -44.281 1.00 0.00 C ATOM 767 C PRO A 51 11.122 0.818 -44.314 1.00 0.00 C ATOM 768 O PRO A 51 10.618 1.129 -45.392 1.00 0.00 O ATOM 769 CB PRO A 51 12.469 -1.268 -44.788 1.00 0.00 C ATOM 770 CG PRO A 51 12.227 -2.074 -43.515 1.00 0.00 C ATOM 771 CD PRO A 51 13.032 -1.299 -42.472 1.00 0.00 C ATOM 0 HA PRO A 51 13.130 0.806 -44.911 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.674 -1.419 -45.518 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.404 -1.550 -45.272 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.169 -2.119 -43.259 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.575 -3.102 -43.614 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.583 -1.391 -41.483 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.049 -1.683 -42.397 1.00 0.00 H new ATOM 779 N PHE A 52 10.496 1.025 -43.151 1.00 0.00 N ATOM 780 CA PHE A 52 9.179 1.643 -43.065 1.00 0.00 C ATOM 781 C PHE A 52 9.279 3.168 -42.988 1.00 0.00 C ATOM 782 O PHE A 52 8.278 3.859 -43.162 1.00 0.00 O ATOM 783 CB PHE A 52 8.459 1.087 -41.840 1.00 0.00 C ATOM 784 CG PHE A 52 8.310 -0.418 -41.850 1.00 0.00 C ATOM 785 CD1 PHE A 52 8.569 -1.151 -40.681 1.00 0.00 C ATOM 786 CD2 PHE A 52 7.925 -1.093 -43.018 1.00 0.00 C ATOM 787 CE1 PHE A 52 8.454 -2.547 -40.684 1.00 0.00 C ATOM 788 CE2 PHE A 52 7.816 -2.489 -43.021 1.00 0.00 C ATOM 789 CZ PHE A 52 8.081 -3.217 -41.853 1.00 0.00 C ATOM 0 H PHE A 52 10.892 0.767 -42.247 1.00 0.00 H new ATOM 0 HA PHE A 52 8.614 1.407 -43.967 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.005 1.383 -40.944 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.470 1.540 -41.775 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.858 -0.637 -39.776 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.712 -0.534 -43.917 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.654 -3.107 -39.782 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.527 -3.005 -43.925 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.997 -4.294 -41.856 1.00 0.00 H new ATOM 799 N GLY A 53 10.483 3.691 -42.728 1.00 0.00 N ATOM 800 CA GLY A 53 10.717 5.125 -42.637 1.00 0.00 C ATOM 801 C GLY A 53 11.906 5.443 -41.736 1.00 0.00 C ATOM 802 O GLY A 53 12.597 4.540 -41.265 1.00 0.00 O ATOM 0 H GLY A 53 11.319 3.126 -42.576 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.896 5.529 -43.633 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.824 5.616 -42.250 1.00 0.00 H new ATOM 806 N ASN A 54 12.150 6.733 -41.497 1.00 0.00 N ATOM 807 CA ASN A 54 13.287 7.166 -40.702 1.00 0.00 C ATOM 808 C ASN A 54 13.027 6.917 -39.217 1.00 0.00 C ATOM 809 O ASN A 54 12.286 7.663 -38.575 1.00 0.00 O ATOM 810 CB ASN A 54 13.553 8.650 -40.974 1.00 0.00 C ATOM 811 CG ASN A 54 14.700 9.180 -40.120 1.00 0.00 C ATOM 812 OD1 ASN A 54 15.597 8.440 -39.729 1.00 0.00 O ATOM 813 ND2 ASN A 54 14.672 10.473 -39.831 1.00 0.00 N ATOM 0 H ASN A 54 11.569 7.495 -41.847 1.00 0.00 H new ATOM 0 HA ASN A 54 14.169 6.591 -40.982 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.789 8.791 -42.029 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.650 9.226 -40.770 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.414 10.885 -39.265 1.00 0.00 H new ATOM 0 HD22 ASN A 54 13.909 11.056 -40.175 1.00 0.00 H new ATOM 820 N VAL A 55 13.647 5.862 -38.685 1.00 0.00 N ATOM 821 CA VAL A 55 13.576 5.539 -37.267 1.00 0.00 C ATOM 822 C VAL A 55 14.660 6.316 -36.528 1.00 0.00 C ATOM 823 O VAL A 55 15.835 6.219 -36.877 1.00 0.00 O ATOM 824 CB VAL A 55 13.762 4.027 -37.081 1.00 0.00 C ATOM 825 CG1 VAL A 55 13.747 3.663 -35.600 1.00 0.00 C ATOM 826 CG2 VAL A 55 12.635 3.271 -37.785 1.00 0.00 C ATOM 0 H VAL A 55 14.212 5.210 -39.229 1.00 0.00 H new ATOM 0 HA VAL A 55 12.604 5.819 -36.861 1.00 0.00 H new ATOM 0 HB VAL A 55 14.723 3.748 -37.512 1.00 0.00 H new ATOM 0 HG11 VAL A 55 13.880 2.587 -35.488 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.557 4.184 -35.089 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.793 3.958 -35.163 1.00 0.00 H new ATOM 0 HG21 VAL A 55 12.775 2.199 -37.648 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.676 3.569 -37.360 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.649 3.505 -38.849 1.00 0.00 H new ATOM 836 N ILE A 56 14.277 7.090 -35.509 1.00 0.00 N ATOM 837 CA ILE A 56 15.237 7.870 -34.736 1.00 0.00 C ATOM 838 C ILE A 56 15.828 7.028 -33.607 1.00 0.00 C ATOM 839 O ILE A 56 16.967 7.249 -33.197 1.00 0.00 O ATOM 840 CB ILE A 56 14.564 9.124 -34.165 1.00 0.00 C ATOM 841 CG1 ILE A 56 13.825 9.905 -35.260 1.00 0.00 C ATOM 842 CG2 ILE A 56 15.617 10.024 -33.516 1.00 0.00 C ATOM 843 CD1 ILE A 56 13.132 11.140 -34.684 1.00 0.00 C ATOM 0 H ILE A 56 13.309 7.191 -35.203 1.00 0.00 H new ATOM 0 HA ILE A 56 16.046 8.176 -35.399 1.00 0.00 H new ATOM 0 HB ILE A 56 13.835 8.809 -33.418 1.00 0.00 H new ATOM 0 HG12 ILE A 56 14.530 10.208 -36.034 1.00 0.00 H new ATOM 0 HG13 ILE A 56 13.087 9.259 -35.736 1.00 0.00 H new ATOM 0 HG21 ILE A 56 15.135 10.914 -33.111 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.113 9.482 -32.711 1.00 0.00 H new ATOM 0 HG23 ILE A 56 16.354 10.318 -34.263 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.617 11.674 -35.483 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.410 10.832 -33.928 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.875 11.796 -34.230 1.00 0.00 H new ATOM 855 N SER A 57 15.058 6.061 -33.102 1.00 0.00 N ATOM 856 CA SER A 57 15.489 5.224 -31.996 1.00 0.00 C ATOM 857 C SER A 57 14.739 3.896 -31.992 1.00 0.00 C ATOM 858 O SER A 57 13.628 3.798 -32.509 1.00 0.00 O ATOM 859 CB SER A 57 15.259 5.970 -30.682 1.00 0.00 C ATOM 860 OG SER A 57 15.749 5.221 -29.589 1.00 0.00 O ATOM 0 H SER A 57 14.125 5.842 -33.451 1.00 0.00 H new ATOM 0 HA SER A 57 16.551 5.005 -32.110 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.756 6.939 -30.717 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.194 6.162 -30.549 1.00 0.00 H new ATOM 0 HG SER A 57 15.594 5.716 -28.758 1.00 0.00 H new ATOM 866 N ALA A 58 15.363 2.873 -31.400 1.00 0.00 N ATOM 867 CA ALA A 58 14.825 1.528 -31.342 1.00 0.00 C ATOM 868 C ALA A 58 15.310 0.843 -30.065 1.00 0.00 C ATOM 869 O ALA A 58 16.406 1.133 -29.585 1.00 0.00 O ATOM 870 CB ALA A 58 15.283 0.767 -32.585 1.00 0.00 C ATOM 0 H ALA A 58 16.270 2.967 -30.943 1.00 0.00 H new ATOM 0 HA ALA A 58 13.735 1.549 -31.322 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.886 -0.248 -32.557 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.918 1.275 -33.478 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.372 0.730 -32.608 1.00 0.00 H new ATOM 876 N LYS A 59 14.496 -0.063 -29.517 1.00 0.00 N ATOM 877 CA LYS A 59 14.780 -0.700 -28.240 1.00 0.00 C ATOM 878 C LYS A 59 14.032 -2.020 -28.091 1.00 0.00 C ATOM 879 O LYS A 59 12.866 -2.126 -28.465 1.00 0.00 O ATOM 880 CB LYS A 59 14.359 0.278 -27.132 1.00 0.00 C ATOM 881 CG LYS A 59 14.390 -0.315 -25.718 1.00 0.00 C ATOM 882 CD LYS A 59 15.816 -0.652 -25.293 1.00 0.00 C ATOM 883 CE LYS A 59 15.812 -1.323 -23.920 1.00 0.00 C ATOM 884 NZ LYS A 59 17.164 -1.788 -23.552 1.00 0.00 N ATOM 0 H LYS A 59 13.625 -0.371 -29.949 1.00 0.00 H new ATOM 0 HA LYS A 59 15.843 -0.931 -28.175 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.016 1.147 -27.163 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.350 0.633 -27.342 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.956 0.394 -25.014 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.775 -1.215 -25.684 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.276 -1.313 -26.028 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.418 0.256 -25.260 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.449 -0.621 -23.170 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.123 -2.167 -23.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 17.133 -2.240 -22.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.499 -2.475 -24.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.814 -0.977 -23.524 1.00 0.00 H new ATOM 898 N VAL A 60 14.708 -3.028 -27.536 1.00 0.00 N ATOM 899 CA VAL A 60 14.072 -4.263 -27.098 1.00 0.00 C ATOM 900 C VAL A 60 14.324 -4.319 -25.600 1.00 0.00 C ATOM 901 O VAL A 60 15.452 -4.132 -25.143 1.00 0.00 O ATOM 902 CB VAL A 60 14.685 -5.474 -27.804 1.00 0.00 C ATOM 903 CG1 VAL A 60 14.351 -6.773 -27.064 1.00 0.00 C ATOM 904 CG2 VAL A 60 14.117 -5.563 -29.218 1.00 0.00 C ATOM 0 H VAL A 60 15.716 -3.006 -27.379 1.00 0.00 H new ATOM 0 HA VAL A 60 13.008 -4.284 -27.335 1.00 0.00 H new ATOM 0 HB VAL A 60 15.768 -5.349 -27.824 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.800 -7.616 -27.589 1.00 0.00 H new ATOM 0 HG12 VAL A 60 14.746 -6.725 -26.049 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.269 -6.903 -27.027 1.00 0.00 H new ATOM 0 HG21 VAL A 60 14.548 -6.423 -29.730 1.00 0.00 H new ATOM 0 HG22 VAL A 60 13.034 -5.675 -29.169 1.00 0.00 H new ATOM 0 HG23 VAL A 60 14.363 -4.654 -29.767 1.00 0.00 H new ATOM 914 N PHE A 61 13.271 -4.573 -24.823 1.00 0.00 N ATOM 915 CA PHE A 61 13.374 -4.527 -23.380 1.00 0.00 C ATOM 916 C PHE A 61 14.157 -5.669 -22.738 1.00 0.00 C ATOM 917 O PHE A 61 14.276 -6.738 -23.335 1.00 0.00 O ATOM 918 CB PHE A 61 11.998 -4.267 -22.767 1.00 0.00 C ATOM 919 CG PHE A 61 11.515 -2.859 -23.042 1.00 0.00 C ATOM 920 CD1 PHE A 61 12.281 -1.766 -22.612 1.00 0.00 C ATOM 921 CD2 PHE A 61 10.317 -2.640 -23.735 1.00 0.00 C ATOM 922 CE1 PHE A 61 11.851 -0.460 -22.874 1.00 0.00 C ATOM 923 CE2 PHE A 61 9.883 -1.332 -23.996 1.00 0.00 C ATOM 924 CZ PHE A 61 10.652 -0.242 -23.566 1.00 0.00 C ATOM 0 H PHE A 61 12.344 -4.811 -25.175 1.00 0.00 H new ATOM 0 HA PHE A 61 14.012 -3.678 -23.136 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.280 -4.982 -23.169 1.00 0.00 H new ATOM 0 HB3 PHE A 61 12.043 -4.432 -21.690 1.00 0.00 H new ATOM 0 HD1 PHE A 61 13.205 -1.932 -22.078 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.726 -3.480 -24.069 1.00 0.00 H new ATOM 0 HE1 PHE A 61 12.443 0.380 -22.543 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.958 -1.165 -24.527 1.00 0.00 H new ATOM 0 HZ PHE A 61 10.321 0.766 -23.768 1.00 0.00 H new ATOM 934 N ILE A 62 14.693 -5.456 -21.532 1.00 0.00 N ATOM 935 CA ILE A 62 15.506 -6.451 -20.841 1.00 0.00 C ATOM 936 C ILE A 62 15.055 -6.577 -19.388 1.00 0.00 C ATOM 937 O ILE A 62 14.654 -5.588 -18.778 1.00 0.00 O ATOM 938 CB ILE A 62 16.992 -6.050 -20.910 1.00 0.00 C ATOM 939 CG1 ILE A 62 17.503 -5.848 -22.345 1.00 0.00 C ATOM 940 CG2 ILE A 62 17.844 -7.088 -20.178 1.00 0.00 C ATOM 941 CD1 ILE A 62 17.506 -7.132 -23.177 1.00 0.00 C ATOM 0 H ILE A 62 14.573 -4.587 -21.011 1.00 0.00 H new ATOM 0 HA ILE A 62 15.380 -7.418 -21.328 1.00 0.00 H new ATOM 0 HB ILE A 62 17.082 -5.082 -20.418 1.00 0.00 H new ATOM 0 HG12 ILE A 62 16.881 -5.103 -22.842 1.00 0.00 H new ATOM 0 HG13 ILE A 62 18.515 -5.445 -22.309 1.00 0.00 H new ATOM 0 HG21 ILE A 62 18.894 -6.799 -20.230 1.00 0.00 H new ATOM 0 HG22 ILE A 62 17.534 -7.143 -19.134 1.00 0.00 H new ATOM 0 HG23 ILE A 62 17.712 -8.063 -20.647 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.878 -6.916 -24.178 1.00 0.00 H new ATOM 0 HD12 ILE A 62 18.150 -7.872 -22.702 1.00 0.00 H new ATOM 0 HD13 ILE A 62 16.491 -7.524 -23.244 1.00 0.00 H new ATOM 953 N ASP A 63 15.119 -7.788 -18.826 1.00 0.00 N ATOM 954 CA ASP A 63 14.779 -8.010 -17.428 1.00 0.00 C ATOM 955 C ASP A 63 16.038 -7.797 -16.588 1.00 0.00 C ATOM 956 O ASP A 63 17.104 -8.320 -16.911 1.00 0.00 O ATOM 957 CB ASP A 63 14.263 -9.438 -17.268 1.00 0.00 C ATOM 958 CG ASP A 63 13.690 -9.712 -15.879 1.00 0.00 C ATOM 959 OD1 ASP A 63 13.823 -8.829 -15.002 1.00 0.00 O ATOM 960 OD2 ASP A 63 13.114 -10.807 -15.704 1.00 0.00 O ATOM 0 H ASP A 63 15.405 -8.630 -19.326 1.00 0.00 H new ATOM 0 HA ASP A 63 14.005 -7.317 -17.099 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.493 -9.627 -18.016 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.076 -10.137 -17.464 1.00 0.00 H new ATOM 965 N LYS A 64 15.923 -7.024 -15.507 1.00 0.00 N ATOM 966 CA LYS A 64 17.044 -6.724 -14.626 1.00 0.00 C ATOM 967 C LYS A 64 17.334 -7.881 -13.671 1.00 0.00 C ATOM 968 O LYS A 64 18.389 -7.908 -13.042 1.00 0.00 O ATOM 969 CB LYS A 64 16.702 -5.451 -13.850 1.00 0.00 C ATOM 970 CG LYS A 64 15.498 -5.681 -12.927 1.00 0.00 C ATOM 971 CD LYS A 64 14.890 -4.349 -12.502 1.00 0.00 C ATOM 972 CE LYS A 64 14.214 -3.669 -13.694 1.00 0.00 C ATOM 973 NZ LYS A 64 13.580 -2.401 -13.287 1.00 0.00 N ATOM 0 H LYS A 64 15.046 -6.589 -15.220 1.00 0.00 H new ATOM 0 HA LYS A 64 17.947 -6.577 -15.219 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.563 -5.137 -13.260 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.482 -4.643 -14.548 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.748 -6.283 -13.441 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.809 -6.243 -12.046 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.163 -4.511 -11.707 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.666 -3.700 -12.097 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.951 -3.478 -14.474 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.464 -4.335 -14.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.128 -1.958 -14.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.862 -2.590 -12.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.302 -1.759 -12.902 1.00 0.00 H new ATOM 987 N GLN A 65 16.398 -8.826 -13.562 1.00 0.00 N ATOM 988 CA GLN A 65 16.508 -9.955 -12.645 1.00 0.00 C ATOM 989 C GLN A 65 17.203 -11.159 -13.274 1.00 0.00 C ATOM 990 O GLN A 65 17.754 -11.999 -12.567 1.00 0.00 O ATOM 991 CB GLN A 65 15.105 -10.361 -12.224 1.00 0.00 C ATOM 992 CG GLN A 65 14.454 -9.267 -11.371 1.00 0.00 C ATOM 993 CD GLN A 65 12.936 -9.375 -11.405 1.00 0.00 C ATOM 994 OE1 GLN A 65 12.288 -9.472 -10.369 1.00 0.00 O ATOM 995 NE2 GLN A 65 12.360 -9.362 -12.602 1.00 0.00 N ATOM 0 H GLN A 65 15.539 -8.827 -14.112 1.00 0.00 H new ATOM 0 HA GLN A 65 17.113 -9.641 -11.794 1.00 0.00 H new ATOM 0 HB2 GLN A 65 14.496 -10.550 -13.108 1.00 0.00 H new ATOM 0 HB3 GLN A 65 15.145 -11.293 -11.660 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.804 -9.347 -10.342 1.00 0.00 H new ATOM 0 HG3 GLN A 65 14.760 -8.287 -11.736 1.00 0.00 H new ATOM 0 HE21 GLN A 65 12.932 -9.280 -13.442 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.346 -9.434 -12.681 1.00 0.00 H new ATOM 1004 N THR A 66 17.172 -11.240 -14.607 1.00 0.00 N ATOM 1005 CA THR A 66 17.694 -12.380 -15.356 1.00 0.00 C ATOM 1006 C THR A 66 18.551 -12.013 -16.556 1.00 0.00 C ATOM 1007 O THR A 66 19.221 -12.871 -17.134 1.00 0.00 O ATOM 1008 CB THR A 66 16.573 -13.354 -15.737 1.00 0.00 C ATOM 1009 OG1 THR A 66 16.043 -12.960 -16.979 1.00 0.00 O ATOM 1010 CG2 THR A 66 15.437 -13.371 -14.723 1.00 0.00 C ATOM 0 H THR A 66 16.780 -10.508 -15.199 1.00 0.00 H new ATOM 0 HA THR A 66 18.377 -12.884 -14.672 1.00 0.00 H new ATOM 0 HB THR A 66 17.006 -14.354 -15.772 1.00 0.00 H new ATOM 0 HG1 THR A 66 15.227 -13.471 -17.163 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.673 -14.078 -15.045 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.823 -13.672 -13.749 1.00 0.00 H new ATOM 0 HG23 THR A 66 15.001 -12.375 -14.648 1.00 0.00 H new ATOM 1018 N ASN A 67 18.524 -10.730 -16.923 1.00 0.00 N ATOM 1019 CA ASN A 67 19.257 -10.183 -18.062 1.00 0.00 C ATOM 1020 C ASN A 67 18.805 -10.810 -19.385 1.00 0.00 C ATOM 1021 O ASN A 67 19.445 -10.612 -20.416 1.00 0.00 O ATOM 1022 CB ASN A 67 20.765 -10.312 -17.812 1.00 0.00 C ATOM 1023 CG ASN A 67 21.580 -9.452 -18.770 1.00 0.00 C ATOM 1024 OD1 ASN A 67 21.137 -8.392 -19.206 1.00 0.00 O ATOM 1025 ND2 ASN A 67 22.784 -9.907 -19.108 1.00 0.00 N ATOM 0 H ASN A 67 17.978 -10.028 -16.423 1.00 0.00 H new ATOM 0 HA ASN A 67 19.029 -9.121 -18.159 1.00 0.00 H new ATOM 0 HB2 ASN A 67 20.988 -10.021 -16.785 1.00 0.00 H new ATOM 0 HB3 ASN A 67 21.062 -11.355 -17.920 1.00 0.00 H new ATOM 0 HD21 ASN A 67 23.370 -9.371 -19.748 1.00 0.00 H new ATOM 0 HD22 ASN A 67 23.120 -10.791 -18.727 1.00 0.00 H new ATOM 1032 N LEU A 68 17.705 -11.571 -19.370 1.00 0.00 N ATOM 1033 CA LEU A 68 17.147 -12.163 -20.578 1.00 0.00 C ATOM 1034 C LEU A 68 16.340 -11.122 -21.344 1.00 0.00 C ATOM 1035 O LEU A 68 15.860 -10.142 -20.772 1.00 0.00 O ATOM 1036 CB LEU A 68 16.269 -13.365 -20.220 1.00 0.00 C ATOM 1037 CG LEU A 68 17.077 -14.507 -19.590 1.00 0.00 C ATOM 1038 CD1 LEU A 68 16.131 -15.631 -19.174 1.00 0.00 C ATOM 1039 CD2 LEU A 68 18.086 -15.077 -20.584 1.00 0.00 C ATOM 0 H LEU A 68 17.183 -11.790 -18.521 1.00 0.00 H new ATOM 0 HA LEU A 68 17.963 -12.508 -21.213 1.00 0.00 H new ATOM 0 HB2 LEU A 68 15.489 -13.049 -19.527 1.00 0.00 H new ATOM 0 HB3 LEU A 68 15.770 -13.728 -21.118 1.00 0.00 H new ATOM 0 HG LEU A 68 17.608 -14.107 -18.726 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.705 -16.443 -18.726 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.412 -15.251 -18.448 1.00 0.00 H new ATOM 0 HD13 LEU A 68 15.600 -16.003 -20.050 1.00 0.00 H new ATOM 0 HD21 LEU A 68 18.645 -15.885 -20.112 1.00 0.00 H new ATOM 0 HD22 LEU A 68 17.559 -15.462 -21.457 1.00 0.00 H new ATOM 0 HD23 LEU A 68 18.775 -14.291 -20.894 1.00 0.00 H new ATOM 1051 N SER A 69 16.185 -11.339 -22.651 1.00 0.00 N ATOM 1052 CA SER A 69 15.440 -10.433 -23.505 1.00 0.00 C ATOM 1053 C SER A 69 13.945 -10.521 -23.214 1.00 0.00 C ATOM 1054 O SER A 69 13.413 -11.609 -22.997 1.00 0.00 O ATOM 1055 CB SER A 69 15.740 -10.739 -24.972 1.00 0.00 C ATOM 1056 OG SER A 69 15.008 -9.875 -25.811 1.00 0.00 O ATOM 0 H SER A 69 16.573 -12.146 -23.139 1.00 0.00 H new ATOM 0 HA SER A 69 15.753 -9.410 -23.296 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.807 -10.625 -25.164 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.485 -11.775 -25.194 1.00 0.00 H new ATOM 0 HG SER A 69 15.210 -10.080 -26.748 1.00 0.00 H new ATOM 1062 N LYS A 70 13.267 -9.368 -23.208 1.00 0.00 N ATOM 1063 CA LYS A 70 11.825 -9.300 -23.013 1.00 0.00 C ATOM 1064 C LYS A 70 11.086 -9.654 -24.298 1.00 0.00 C ATOM 1065 O LYS A 70 11.670 -9.658 -25.382 1.00 0.00 O ATOM 1066 CB LYS A 70 11.420 -7.904 -22.541 1.00 0.00 C ATOM 1067 CG LYS A 70 11.899 -7.597 -21.119 1.00 0.00 C ATOM 1068 CD LYS A 70 11.131 -8.435 -20.094 1.00 0.00 C ATOM 1069 CE LYS A 70 11.399 -7.892 -18.692 1.00 0.00 C ATOM 1070 NZ LYS A 70 10.667 -8.662 -17.671 1.00 0.00 N ATOM 0 H LYS A 70 13.708 -8.458 -23.339 1.00 0.00 H new ATOM 0 HA LYS A 70 11.550 -10.026 -22.248 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.829 -7.161 -23.226 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.335 -7.812 -22.582 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.966 -7.803 -21.038 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.762 -6.537 -20.905 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.063 -8.404 -20.310 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.439 -9.479 -20.157 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.468 -7.931 -18.483 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.102 -6.844 -18.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.869 -8.270 -16.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.646 -8.604 -17.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.969 -9.657 -17.704 1.00 0.00 H new ATOM 1084 N CYS A 71 9.795 -9.950 -24.166 1.00 0.00 N ATOM 1085 CA CYS A 71 8.951 -10.332 -25.285 1.00 0.00 C ATOM 1086 C CYS A 71 8.384 -9.130 -26.040 1.00 0.00 C ATOM 1087 O CYS A 71 7.467 -9.300 -26.845 1.00 0.00 O ATOM 1088 CB CYS A 71 7.826 -11.241 -24.781 1.00 0.00 C ATOM 1089 SG CYS A 71 8.548 -12.768 -24.128 1.00 0.00 S ATOM 0 H CYS A 71 9.306 -9.930 -23.271 1.00 0.00 H new ATOM 0 HA CYS A 71 9.571 -10.871 -26.001 1.00 0.00 H new ATOM 0 HB2 CYS A 71 7.252 -10.734 -24.005 1.00 0.00 H new ATOM 0 HB3 CYS A 71 7.134 -11.469 -25.592 1.00 0.00 H new ATOM 0 HG CYS A 71 7.600 -13.546 -23.695 1.00 0.00 H new ATOM 1095 N PHE A 72 8.895 -7.918 -25.807 1.00 0.00 N ATOM 1096 CA PHE A 72 8.339 -6.746 -26.474 1.00 0.00 C ATOM 1097 C PHE A 72 9.419 -5.662 -26.434 1.00 0.00 C ATOM 1098 O PHE A 72 10.454 -5.812 -25.786 1.00 0.00 O ATOM 1099 CB PHE A 72 7.101 -6.305 -25.684 1.00 0.00 C ATOM 1100 CG PHE A 72 7.344 -5.438 -24.470 1.00 0.00 C ATOM 1101 CD1 PHE A 72 6.858 -4.125 -24.463 1.00 0.00 C ATOM 1102 CD2 PHE A 72 8.038 -5.936 -23.359 1.00 0.00 C ATOM 1103 CE1 PHE A 72 7.045 -3.314 -23.335 1.00 0.00 C ATOM 1104 CE2 PHE A 72 8.236 -5.123 -22.238 1.00 0.00 C ATOM 1105 CZ PHE A 72 7.732 -3.813 -22.220 1.00 0.00 C ATOM 0 H PHE A 72 9.674 -7.728 -25.177 1.00 0.00 H new ATOM 0 HA PHE A 72 8.050 -6.945 -27.506 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.440 -5.764 -26.361 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.566 -7.199 -25.362 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.339 -3.737 -25.327 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.420 -6.946 -23.368 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.660 -2.305 -23.325 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.778 -5.504 -21.385 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.873 -3.191 -21.349 1.00 0.00 H new ATOM 1115 N GLY A 73 9.164 -4.559 -27.143 1.00 0.00 N ATOM 1116 CA GLY A 73 10.106 -3.462 -27.284 1.00 0.00 C ATOM 1117 C GLY A 73 9.428 -2.159 -27.717 1.00 0.00 C ATOM 1118 O GLY A 73 8.205 -2.032 -27.665 1.00 0.00 O ATOM 0 H GLY A 73 8.285 -4.408 -27.638 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.619 -3.303 -26.335 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.867 -3.733 -28.016 1.00 0.00 H new ATOM 1122 N PHE A 74 10.251 -1.200 -28.143 1.00 0.00 N ATOM 1123 CA PHE A 74 9.859 0.161 -28.483 1.00 0.00 C ATOM 1124 C PHE A 74 10.625 0.787 -29.655 1.00 0.00 C ATOM 1125 O PHE A 74 11.823 0.555 -29.803 1.00 0.00 O ATOM 1126 CB PHE A 74 9.815 1.020 -27.216 1.00 0.00 C ATOM 1127 CG PHE A 74 10.046 2.499 -27.435 1.00 0.00 C ATOM 1128 CD1 PHE A 74 11.195 3.102 -26.905 1.00 0.00 C ATOM 1129 CD2 PHE A 74 9.127 3.263 -28.169 1.00 0.00 C ATOM 1130 CE1 PHE A 74 11.452 4.457 -27.160 1.00 0.00 C ATOM 1131 CE2 PHE A 74 9.380 4.620 -28.413 1.00 0.00 C ATOM 1132 CZ PHE A 74 10.549 5.214 -27.916 1.00 0.00 C ATOM 0 H PHE A 74 11.251 -1.361 -28.264 1.00 0.00 H new ATOM 0 HA PHE A 74 8.848 0.114 -28.888 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.844 0.886 -26.739 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.567 0.650 -26.519 1.00 0.00 H new ATOM 0 HD1 PHE A 74 11.880 2.525 -26.302 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.224 2.806 -28.546 1.00 0.00 H new ATOM 0 HE1 PHE A 74 12.349 4.918 -26.772 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.675 5.207 -28.983 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.753 6.255 -28.116 1.00 0.00 H new ATOM 1142 N VAL A 75 9.940 1.580 -30.488 1.00 0.00 N ATOM 1143 CA VAL A 75 10.522 2.207 -31.673 1.00 0.00 C ATOM 1144 C VAL A 75 9.880 3.578 -31.902 1.00 0.00 C ATOM 1145 O VAL A 75 8.734 3.795 -31.506 1.00 0.00 O ATOM 1146 CB VAL A 75 10.316 1.293 -32.894 1.00 0.00 C ATOM 1147 CG1 VAL A 75 10.873 1.919 -34.174 1.00 0.00 C ATOM 1148 CG2 VAL A 75 10.991 -0.068 -32.710 1.00 0.00 C ATOM 0 H VAL A 75 8.954 1.805 -30.353 1.00 0.00 H new ATOM 0 HA VAL A 75 11.592 2.350 -31.524 1.00 0.00 H new ATOM 0 HB VAL A 75 9.237 1.162 -32.982 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.707 1.242 -35.012 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.367 2.865 -34.366 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.942 2.097 -34.057 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.821 -0.681 -33.595 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.062 0.074 -32.567 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.572 -0.567 -31.836 1.00 0.00 H new ATOM 1158 N SER A 76 10.596 4.514 -32.537 1.00 0.00 N ATOM 1159 CA SER A 76 10.067 5.847 -32.798 1.00 0.00 C ATOM 1160 C SER A 76 10.529 6.413 -34.138 1.00 0.00 C ATOM 1161 O SER A 76 11.676 6.227 -34.542 1.00 0.00 O ATOM 1162 CB SER A 76 10.433 6.795 -31.654 1.00 0.00 C ATOM 1163 OG SER A 76 9.981 8.102 -31.937 1.00 0.00 O ATOM 0 H SER A 76 11.546 4.366 -32.878 1.00 0.00 H new ATOM 0 HA SER A 76 8.982 5.756 -32.856 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.988 6.442 -30.724 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.513 6.800 -31.508 1.00 0.00 H new ATOM 0 HG SER A 76 9.132 8.056 -32.425 1.00 0.00 H new ATOM 1169 N TYR A 77 9.614 7.107 -34.825 1.00 0.00 N ATOM 1170 CA TYR A 77 9.841 7.707 -36.133 1.00 0.00 C ATOM 1171 C TYR A 77 10.026 9.223 -36.150 1.00 0.00 C ATOM 1172 O TYR A 77 9.673 9.907 -35.190 1.00 0.00 O ATOM 1173 CB TYR A 77 8.748 7.285 -37.114 1.00 0.00 C ATOM 1174 CG TYR A 77 8.848 5.843 -37.534 1.00 0.00 C ATOM 1175 CD1 TYR A 77 8.219 4.858 -36.758 1.00 0.00 C ATOM 1176 CD2 TYR A 77 9.566 5.488 -38.683 1.00 0.00 C ATOM 1177 CE1 TYR A 77 8.308 3.512 -37.129 1.00 0.00 C ATOM 1178 CE2 TYR A 77 9.660 4.143 -39.065 1.00 0.00 C ATOM 1179 CZ TYR A 77 9.035 3.151 -38.281 1.00 0.00 C ATOM 1180 OH TYR A 77 9.128 1.839 -38.626 1.00 0.00 O ATOM 0 H TYR A 77 8.671 7.268 -34.471 1.00 0.00 H new ATOM 0 HA TYR A 77 10.808 7.314 -36.448 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.773 7.456 -36.657 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.800 7.918 -38.000 1.00 0.00 H new ATOM 0 HD1 TYR A 77 7.666 5.139 -35.874 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.048 6.252 -39.275 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.821 2.753 -36.535 1.00 0.00 H new ATOM 0 HE2 TYR A 77 10.208 3.868 -39.954 1.00 0.00 H new ATOM 0 HH TYR A 77 9.997 1.672 -39.048 1.00 0.00 H new ATOM 1190 N ASP A 78 10.578 9.757 -37.242 1.00 0.00 N ATOM 1191 CA ASP A 78 10.707 11.198 -37.427 1.00 0.00 C ATOM 1192 C ASP A 78 9.377 11.831 -37.851 1.00 0.00 C ATOM 1193 O ASP A 78 9.224 13.052 -37.834 1.00 0.00 O ATOM 1194 CB ASP A 78 11.837 11.461 -38.428 1.00 0.00 C ATOM 1195 CG ASP A 78 12.053 12.941 -38.740 1.00 0.00 C ATOM 1196 OD1 ASP A 78 12.370 13.233 -39.915 1.00 0.00 O ATOM 1197 OD2 ASP A 78 11.904 13.768 -37.816 1.00 0.00 O ATOM 0 H ASP A 78 10.945 9.204 -38.016 1.00 0.00 H new ATOM 0 HA ASP A 78 10.965 11.673 -36.481 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.763 11.044 -38.034 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.618 10.932 -39.356 1.00 0.00 H new ATOM 1202 N ASN A 79 8.409 10.993 -38.233 1.00 0.00 N ATOM 1203 CA ASN A 79 7.077 11.436 -38.600 1.00 0.00 C ATOM 1204 C ASN A 79 6.060 10.315 -38.389 1.00 0.00 C ATOM 1205 O ASN A 79 6.408 9.140 -38.508 1.00 0.00 O ATOM 1206 CB ASN A 79 7.054 11.951 -40.048 1.00 0.00 C ATOM 1207 CG ASN A 79 7.846 11.092 -41.025 1.00 0.00 C ATOM 1208 OD1 ASN A 79 7.773 9.772 -40.887 1.00 0.00 O flip ATOM 1209 ND2 ASN A 79 8.523 11.616 -41.905 1.00 0.00 N flip ATOM 0 H ASN A 79 8.537 9.983 -38.294 1.00 0.00 H new ATOM 0 HA ASN A 79 6.797 12.265 -37.951 1.00 0.00 H new ATOM 0 HB2 ASN A 79 6.019 12.007 -40.386 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.451 12.966 -40.068 1.00 0.00 H new ATOM 0 HD21 ASN A 79 8.558 12.632 -41.984 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.050 11.035 -42.557 1.00 0.00 H new ATOM 1216 N PRO A 80 4.806 10.659 -38.077 1.00 0.00 N ATOM 1217 CA PRO A 80 3.768 9.686 -37.775 1.00 0.00 C ATOM 1218 C PRO A 80 3.339 8.892 -39.009 1.00 0.00 C ATOM 1219 O PRO A 80 2.793 7.799 -38.873 1.00 0.00 O ATOM 1220 CB PRO A 80 2.604 10.519 -37.230 1.00 0.00 C ATOM 1221 CG PRO A 80 2.778 11.862 -37.937 1.00 0.00 C ATOM 1222 CD PRO A 80 4.295 12.014 -37.982 1.00 0.00 C ATOM 0 HA PRO A 80 4.120 8.938 -37.065 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.640 10.064 -37.460 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.656 10.624 -36.146 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.341 11.855 -38.935 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.304 12.675 -37.387 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.606 12.614 -38.837 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.668 12.515 -37.089 1.00 0.00 H new ATOM 1230 N VAL A 81 3.575 9.417 -40.213 1.00 0.00 N ATOM 1231 CA VAL A 81 3.163 8.739 -41.436 1.00 0.00 C ATOM 1232 C VAL A 81 3.891 7.408 -41.621 1.00 0.00 C ATOM 1233 O VAL A 81 3.294 6.426 -42.058 1.00 0.00 O ATOM 1234 CB VAL A 81 3.340 9.681 -42.630 1.00 0.00 C ATOM 1235 CG1 VAL A 81 4.812 9.953 -42.940 1.00 0.00 C ATOM 1236 CG2 VAL A 81 2.694 9.067 -43.868 1.00 0.00 C ATOM 0 H VAL A 81 4.048 10.308 -40.363 1.00 0.00 H new ATOM 0 HA VAL A 81 2.105 8.486 -41.361 1.00 0.00 H new ATOM 0 HB VAL A 81 2.863 10.625 -42.366 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.886 10.626 -43.794 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.287 10.413 -42.074 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.314 9.014 -43.173 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.821 9.739 -44.716 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.167 8.110 -44.089 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.631 8.912 -43.685 1.00 0.00 H new ATOM 1246 N SER A 82 5.184 7.372 -41.286 1.00 0.00 N ATOM 1247 CA SER A 82 5.968 6.151 -41.357 1.00 0.00 C ATOM 1248 C SER A 82 5.594 5.208 -40.222 1.00 0.00 C ATOM 1249 O SER A 82 5.765 3.996 -40.346 1.00 0.00 O ATOM 1250 CB SER A 82 7.453 6.495 -41.253 1.00 0.00 C ATOM 1251 OG SER A 82 7.851 7.277 -42.355 1.00 0.00 O ATOM 0 H SER A 82 5.707 8.185 -40.961 1.00 0.00 H new ATOM 0 HA SER A 82 5.762 5.659 -42.308 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.644 7.036 -40.326 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.044 5.580 -41.215 1.00 0.00 H new ATOM 0 HG SER A 82 7.897 8.219 -42.088 1.00 0.00 H new ATOM 1257 N ALA A 83 5.083 5.758 -39.118 1.00 0.00 N ATOM 1258 CA ALA A 83 4.711 4.948 -37.975 1.00 0.00 C ATOM 1259 C ALA A 83 3.436 4.164 -38.273 1.00 0.00 C ATOM 1260 O ALA A 83 3.373 2.970 -37.994 1.00 0.00 O ATOM 1261 CB ALA A 83 4.530 5.852 -36.752 1.00 0.00 C ATOM 0 H ALA A 83 4.921 6.758 -39.000 1.00 0.00 H new ATOM 0 HA ALA A 83 5.501 4.227 -37.765 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.250 5.246 -35.890 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.465 6.372 -36.542 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.746 6.582 -36.952 1.00 0.00 H new ATOM 1267 N GLN A 84 2.421 4.816 -38.843 1.00 0.00 N ATOM 1268 CA GLN A 84 1.166 4.136 -39.140 1.00 0.00 C ATOM 1269 C GLN A 84 1.365 3.074 -40.213 1.00 0.00 C ATOM 1270 O GLN A 84 0.666 2.060 -40.214 1.00 0.00 O ATOM 1271 CB GLN A 84 0.108 5.155 -39.579 1.00 0.00 C ATOM 1272 CG GLN A 84 -0.163 6.197 -38.488 1.00 0.00 C ATOM 1273 CD GLN A 84 -0.521 5.562 -37.151 1.00 0.00 C ATOM 1274 OE1 GLN A 84 -1.259 4.578 -37.094 1.00 0.00 O ATOM 1275 NE2 GLN A 84 0.000 6.116 -36.063 1.00 0.00 N ATOM 0 H GLN A 84 2.445 5.802 -39.104 1.00 0.00 H new ATOM 0 HA GLN A 84 0.819 3.637 -38.235 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.441 5.657 -40.487 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.818 4.635 -39.824 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.719 6.826 -38.363 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.977 6.849 -38.807 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.608 6.931 -36.147 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.207 5.727 -35.143 1.00 0.00 H new ATOM 1284 N ALA A 85 2.316 3.290 -41.128 1.00 0.00 N ATOM 1285 CA ALA A 85 2.633 2.289 -42.133 1.00 0.00 C ATOM 1286 C ALA A 85 3.276 1.074 -41.480 1.00 0.00 C ATOM 1287 O ALA A 85 2.963 -0.060 -41.831 1.00 0.00 O ATOM 1288 CB ALA A 85 3.600 2.890 -43.152 1.00 0.00 C ATOM 0 H ALA A 85 2.871 4.144 -41.188 1.00 0.00 H new ATOM 0 HA ALA A 85 1.715 1.978 -42.631 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.842 2.144 -43.909 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.136 3.753 -43.629 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.514 3.203 -42.646 1.00 0.00 H new ATOM 1294 N ALA A 86 4.175 1.313 -40.522 1.00 0.00 N ATOM 1295 CA ALA A 86 4.873 0.240 -39.844 1.00 0.00 C ATOM 1296 C ALA A 86 3.940 -0.588 -38.957 1.00 0.00 C ATOM 1297 O ALA A 86 4.218 -1.764 -38.720 1.00 0.00 O ATOM 1298 CB ALA A 86 6.009 0.838 -39.022 1.00 0.00 C ATOM 0 H ALA A 86 4.431 2.248 -40.204 1.00 0.00 H new ATOM 0 HA ALA A 86 5.272 -0.443 -40.594 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.543 0.041 -38.506 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.696 1.367 -39.682 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.601 1.534 -38.290 1.00 0.00 H new ATOM 1304 N ILE A 87 2.836 -0.011 -38.464 1.00 0.00 N ATOM 1305 CA ILE A 87 1.864 -0.794 -37.710 1.00 0.00 C ATOM 1306 C ILE A 87 1.234 -1.820 -38.640 1.00 0.00 C ATOM 1307 O ILE A 87 1.227 -3.008 -38.335 1.00 0.00 O ATOM 1308 CB ILE A 87 0.777 0.100 -37.093 1.00 0.00 C ATOM 1309 CG1 ILE A 87 1.393 1.056 -36.068 1.00 0.00 C ATOM 1310 CG2 ILE A 87 -0.291 -0.774 -36.423 1.00 0.00 C ATOM 1311 CD1 ILE A 87 0.334 1.890 -35.342 1.00 0.00 C ATOM 0 H ILE A 87 2.601 0.976 -38.573 1.00 0.00 H new ATOM 0 HA ILE A 87 2.377 -1.295 -36.890 1.00 0.00 H new ATOM 0 HB ILE A 87 0.313 0.691 -37.883 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.965 0.483 -35.338 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.095 1.722 -36.571 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.061 -0.137 -35.986 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.742 -1.431 -37.166 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.170 -1.375 -35.640 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.820 2.552 -34.626 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.221 2.485 -36.067 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.353 1.227 -34.815 1.00 0.00 H new ATOM 1323 N GLN A 88 0.707 -1.363 -39.775 1.00 0.00 N ATOM 1324 CA GLN A 88 0.058 -2.249 -40.731 1.00 0.00 C ATOM 1325 C GLN A 88 1.061 -3.193 -41.390 1.00 0.00 C ATOM 1326 O GLN A 88 0.661 -4.140 -42.067 1.00 0.00 O ATOM 1327 CB GLN A 88 -0.659 -1.406 -41.792 1.00 0.00 C ATOM 1328 CG GLN A 88 -1.710 -0.476 -41.170 1.00 0.00 C ATOM 1329 CD GLN A 88 -2.822 -1.227 -40.447 1.00 0.00 C ATOM 1330 OE1 GLN A 88 -3.012 -2.426 -40.630 1.00 0.00 O ATOM 1331 NE2 GLN A 88 -3.574 -0.522 -39.611 1.00 0.00 N ATOM 0 H GLN A 88 0.719 -0.382 -40.052 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.666 -2.865 -40.198 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.073 -0.812 -42.339 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.140 -2.065 -42.515 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.219 0.198 -40.468 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.148 0.143 -41.953 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.394 0.473 -39.478 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.332 -0.975 -39.101 1.00 0.00 H new ATOM 1340 N ALA A 89 2.361 -2.944 -41.204 1.00 0.00 N ATOM 1341 CA ALA A 89 3.415 -3.753 -41.793 1.00 0.00 C ATOM 1342 C ALA A 89 3.874 -4.887 -40.872 1.00 0.00 C ATOM 1343 O ALA A 89 4.314 -5.927 -41.360 1.00 0.00 O ATOM 1344 CB ALA A 89 4.594 -2.842 -42.110 1.00 0.00 C ATOM 0 H ALA A 89 2.706 -2.170 -40.636 1.00 0.00 H new ATOM 0 HA ALA A 89 3.021 -4.221 -42.695 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.398 -3.429 -42.554 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.279 -2.070 -42.812 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.950 -2.375 -41.192 1.00 0.00 H new ATOM 1350 N MET A 90 3.778 -4.697 -39.551 1.00 0.00 N ATOM 1351 CA MET A 90 4.275 -5.681 -38.591 1.00 0.00 C ATOM 1352 C MET A 90 3.204 -6.226 -37.652 1.00 0.00 C ATOM 1353 O MET A 90 3.409 -7.261 -37.020 1.00 0.00 O ATOM 1354 CB MET A 90 5.441 -5.077 -37.808 1.00 0.00 C ATOM 1355 CG MET A 90 6.675 -4.933 -38.701 1.00 0.00 C ATOM 1356 SD MET A 90 7.339 -6.493 -39.343 1.00 0.00 S ATOM 1357 CE MET A 90 7.815 -7.294 -37.789 1.00 0.00 C ATOM 0 H MET A 90 3.360 -3.870 -39.125 1.00 0.00 H new ATOM 0 HA MET A 90 4.615 -6.544 -39.163 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.155 -4.102 -37.415 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.677 -5.709 -36.952 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.423 -4.288 -39.543 1.00 0.00 H new ATOM 0 HG3 MET A 90 7.458 -4.427 -38.136 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.112 -8.324 -37.987 1.00 0.00 H new ATOM 0 HE2 MET A 90 8.650 -6.755 -37.343 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.969 -7.286 -37.102 1.00 0.00 H new ATOM 1367 N ASN A 91 2.059 -5.550 -37.541 1.00 0.00 N ATOM 1368 CA ASN A 91 0.952 -6.061 -36.751 1.00 0.00 C ATOM 1369 C ASN A 91 0.441 -7.348 -37.399 1.00 0.00 C ATOM 1370 O ASN A 91 0.227 -7.394 -38.611 1.00 0.00 O ATOM 1371 CB ASN A 91 -0.154 -5.005 -36.672 1.00 0.00 C ATOM 1372 CG ASN A 91 -1.230 -5.359 -35.656 1.00 0.00 C ATOM 1373 OD1 ASN A 91 -1.054 -6.248 -34.827 1.00 0.00 O ATOM 1374 ND2 ASN A 91 -2.357 -4.658 -35.715 1.00 0.00 N ATOM 0 H ASN A 91 1.880 -4.651 -37.989 1.00 0.00 H new ATOM 0 HA ASN A 91 1.279 -6.282 -35.735 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.286 -4.043 -36.410 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.611 -4.889 -37.655 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.113 -4.851 -35.057 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.467 -3.927 -36.418 1.00 0.00 H new ATOM 1381 N GLY A 92 0.243 -8.394 -36.595 1.00 0.00 N ATOM 1382 CA GLY A 92 -0.226 -9.681 -37.079 1.00 0.00 C ATOM 1383 C GLY A 92 0.867 -10.496 -37.764 1.00 0.00 C ATOM 1384 O GLY A 92 0.576 -11.566 -38.296 1.00 0.00 O ATOM 0 H GLY A 92 0.406 -8.366 -35.588 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.627 -10.253 -36.242 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.046 -9.522 -37.779 1.00 0.00 H new ATOM 1388 N PHE A 93 2.120 -10.020 -37.766 1.00 0.00 N ATOM 1389 CA PHE A 93 3.211 -10.727 -38.418 1.00 0.00 C ATOM 1390 C PHE A 93 3.470 -12.083 -37.760 1.00 0.00 C ATOM 1391 O PHE A 93 3.731 -12.147 -36.560 1.00 0.00 O ATOM 1392 CB PHE A 93 4.462 -9.848 -38.441 1.00 0.00 C ATOM 1393 CG PHE A 93 5.700 -10.505 -39.012 1.00 0.00 C ATOM 1394 CD1 PHE A 93 6.035 -10.299 -40.357 1.00 0.00 C ATOM 1395 CD2 PHE A 93 6.521 -11.309 -38.205 1.00 0.00 C ATOM 1396 CE1 PHE A 93 7.185 -10.887 -40.897 1.00 0.00 C ATOM 1397 CE2 PHE A 93 7.672 -11.898 -38.743 1.00 0.00 C ATOM 1398 CZ PHE A 93 8.003 -11.686 -40.089 1.00 0.00 C ATOM 0 H PHE A 93 2.395 -9.145 -37.320 1.00 0.00 H new ATOM 0 HA PHE A 93 2.927 -10.935 -39.450 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.246 -8.951 -39.021 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.678 -9.525 -37.423 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.403 -9.684 -40.980 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.265 -11.473 -37.169 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.440 -10.725 -41.934 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.304 -12.515 -38.122 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.891 -12.140 -40.503 1.00 0.00 H new ATOM 1408 N GLN A 94 3.401 -13.168 -38.534 1.00 0.00 N ATOM 1409 CA GLN A 94 3.572 -14.507 -37.983 1.00 0.00 C ATOM 1410 C GLN A 94 5.045 -14.797 -37.707 1.00 0.00 C ATOM 1411 O GLN A 94 5.897 -14.617 -38.578 1.00 0.00 O ATOM 1412 CB GLN A 94 2.939 -15.540 -38.921 1.00 0.00 C ATOM 1413 CG GLN A 94 3.019 -16.961 -38.344 1.00 0.00 C ATOM 1414 CD GLN A 94 4.359 -17.652 -38.592 1.00 0.00 C ATOM 1415 OE1 GLN A 94 5.070 -17.340 -39.545 1.00 0.00 O ATOM 1416 NE2 GLN A 94 4.720 -18.601 -37.732 1.00 0.00 N ATOM 0 H GLN A 94 3.229 -13.143 -39.539 1.00 0.00 H new ATOM 0 HA GLN A 94 3.057 -14.571 -37.024 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.896 -15.278 -39.099 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.444 -15.511 -39.887 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.836 -16.918 -37.270 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.223 -17.565 -38.779 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.110 -18.839 -36.950 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.607 -19.090 -37.855 1.00 0.00 H new ATOM 1425 N ILE A 95 5.337 -15.252 -36.487 1.00 0.00 N ATOM 1426 CA ILE A 95 6.684 -15.610 -36.077 1.00 0.00 C ATOM 1427 C ILE A 95 6.609 -16.687 -34.996 1.00 0.00 C ATOM 1428 O ILE A 95 5.780 -16.592 -34.091 1.00 0.00 O ATOM 1429 CB ILE A 95 7.422 -14.355 -35.600 1.00 0.00 C ATOM 1430 CG1 ILE A 95 8.884 -14.694 -35.290 1.00 0.00 C ATOM 1431 CG2 ILE A 95 6.753 -13.740 -34.368 1.00 0.00 C ATOM 1432 CD1 ILE A 95 9.716 -13.420 -35.150 1.00 0.00 C ATOM 0 H ILE A 95 4.637 -15.381 -35.756 1.00 0.00 H new ATOM 0 HA ILE A 95 7.247 -16.020 -36.915 1.00 0.00 H new ATOM 0 HB ILE A 95 7.381 -13.618 -36.402 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.941 -15.274 -34.369 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.294 -15.317 -36.085 1.00 0.00 H new ATOM 0 HG21 ILE A 95 7.305 -12.852 -34.059 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.727 -13.463 -34.611 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.750 -14.466 -33.555 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.751 -13.683 -34.930 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.676 -12.855 -36.081 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.316 -12.812 -34.339 1.00 0.00 H new ATOM 1444 N GLY A 96 7.457 -17.713 -35.073 1.00 0.00 N ATOM 1445 CA GLY A 96 7.463 -18.755 -34.060 1.00 0.00 C ATOM 1446 C GLY A 96 6.094 -19.422 -33.969 1.00 0.00 C ATOM 1447 O GLY A 96 5.675 -20.116 -34.895 1.00 0.00 O ATOM 0 H GLY A 96 8.140 -17.840 -35.820 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.221 -19.500 -34.301 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.731 -18.329 -33.093 1.00 0.00 H new ATOM 1451 N MET A 97 5.404 -19.204 -32.846 1.00 0.00 N ATOM 1452 CA MET A 97 4.083 -19.773 -32.597 1.00 0.00 C ATOM 1453 C MET A 97 3.071 -18.703 -32.168 1.00 0.00 C ATOM 1454 O MET A 97 1.991 -19.041 -31.681 1.00 0.00 O ATOM 1455 CB MET A 97 4.196 -20.897 -31.564 1.00 0.00 C ATOM 1456 CG MET A 97 4.692 -20.366 -30.217 1.00 0.00 C ATOM 1457 SD MET A 97 4.759 -21.609 -28.901 1.00 0.00 S ATOM 1458 CE MET A 97 6.050 -22.689 -29.561 1.00 0.00 C ATOM 0 H MET A 97 5.751 -18.624 -32.082 1.00 0.00 H new ATOM 0 HA MET A 97 3.704 -20.193 -33.529 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.224 -21.373 -31.434 1.00 0.00 H new ATOM 0 HB3 MET A 97 4.880 -21.663 -31.930 1.00 0.00 H new ATOM 0 HG2 MET A 97 5.688 -19.943 -30.351 1.00 0.00 H new ATOM 0 HG3 MET A 97 4.040 -19.552 -29.899 1.00 0.00 H new ATOM 0 HE1 MET A 97 6.384 -23.375 -28.782 1.00 0.00 H new ATOM 0 HE2 MET A 97 5.653 -23.259 -30.401 1.00 0.00 H new ATOM 0 HE3 MET A 97 6.892 -22.085 -29.898 1.00 0.00 H new ATOM 1468 N LYS A 98 3.400 -17.417 -32.340 1.00 0.00 N ATOM 1469 CA LYS A 98 2.506 -16.326 -31.969 1.00 0.00 C ATOM 1470 C LYS A 98 2.760 -15.103 -32.842 1.00 0.00 C ATOM 1471 O LYS A 98 3.902 -14.802 -33.182 1.00 0.00 O ATOM 1472 CB LYS A 98 2.687 -15.992 -30.485 1.00 0.00 C ATOM 1473 CG LYS A 98 1.643 -14.981 -30.001 1.00 0.00 C ATOM 1474 CD LYS A 98 1.580 -14.950 -28.469 1.00 0.00 C ATOM 1475 CE LYS A 98 2.889 -14.459 -27.850 1.00 0.00 C ATOM 1476 NZ LYS A 98 2.890 -14.654 -26.387 1.00 0.00 N ATOM 0 H LYS A 98 4.288 -17.110 -32.738 1.00 0.00 H new ATOM 0 HA LYS A 98 1.475 -16.639 -32.132 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.611 -16.905 -29.894 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.687 -15.589 -30.322 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.889 -13.989 -30.379 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.664 -15.242 -30.404 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.764 -14.300 -28.153 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.355 -15.949 -28.095 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.728 -14.996 -28.292 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.030 -13.403 -28.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.789 -14.313 -25.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.102 -14.122 -25.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.779 -15.665 -26.172 1.00 0.00 H new ATOM 1490 N ARG A 99 1.695 -14.389 -33.213 1.00 0.00 N ATOM 1491 CA ARG A 99 1.803 -13.252 -34.115 1.00 0.00 C ATOM 1492 C ARG A 99 2.233 -12.002 -33.357 1.00 0.00 C ATOM 1493 O ARG A 99 1.837 -11.814 -32.209 1.00 0.00 O ATOM 1494 CB ARG A 99 0.477 -13.014 -34.839 1.00 0.00 C ATOM 1495 CG ARG A 99 0.132 -14.197 -35.748 1.00 0.00 C ATOM 1496 CD ARG A 99 -1.185 -13.923 -36.475 1.00 0.00 C ATOM 1497 NE ARG A 99 -1.507 -15.008 -37.410 1.00 0.00 N ATOM 1498 CZ ARG A 99 -1.232 -14.995 -38.718 1.00 0.00 C ATOM 1499 NH1 ARG A 99 -0.603 -13.966 -39.285 1.00 0.00 N ATOM 1500 NH2 ARG A 99 -1.591 -16.027 -39.477 1.00 0.00 N ATOM 0 H ARG A 99 0.745 -14.584 -32.898 1.00 0.00 H new ATOM 0 HA ARG A 99 2.566 -13.477 -34.860 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.319 -12.866 -34.109 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.540 -12.101 -35.431 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.931 -14.357 -36.472 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.049 -15.109 -35.158 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -1.990 -13.814 -35.748 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -1.116 -12.980 -37.017 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.975 -15.833 -37.034 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.321 -13.166 -38.719 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.404 -13.978 -40.285 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.074 -16.823 -39.060 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.384 -16.022 -40.476 1.00 0.00 H new ATOM 1514 N LEU A 100 3.037 -11.147 -33.994 1.00 0.00 N ATOM 1515 CA LEU A 100 3.488 -9.905 -33.387 1.00 0.00 C ATOM 1516 C LEU A 100 2.339 -8.914 -33.251 1.00 0.00 C ATOM 1517 O LEU A 100 1.651 -8.616 -34.227 1.00 0.00 O ATOM 1518 CB LEU A 100 4.613 -9.288 -34.218 1.00 0.00 C ATOM 1519 CG LEU A 100 5.844 -10.193 -34.292 1.00 0.00 C ATOM 1520 CD1 LEU A 100 6.933 -9.488 -35.097 1.00 0.00 C ATOM 1521 CD2 LEU A 100 6.388 -10.483 -32.895 1.00 0.00 C ATOM 0 H LEU A 100 3.389 -11.300 -34.939 1.00 0.00 H new ATOM 0 HA LEU A 100 3.864 -10.134 -32.390 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.250 -9.089 -35.226 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.896 -8.328 -33.786 1.00 0.00 H new ATOM 0 HG LEU A 100 5.556 -11.131 -34.766 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.814 -10.127 -35.154 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.567 -9.283 -36.103 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.196 -8.550 -34.609 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.263 -11.128 -32.972 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.669 -9.547 -32.412 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.621 -10.981 -32.302 1.00 0.00 H new ATOM 1533 N LYS A 101 2.138 -8.395 -32.038 1.00 0.00 N ATOM 1534 CA LYS A 101 1.182 -7.329 -31.801 1.00 0.00 C ATOM 1535 C LYS A 101 1.910 -5.993 -31.932 1.00 0.00 C ATOM 1536 O LYS A 101 3.033 -5.856 -31.445 1.00 0.00 O ATOM 1537 CB LYS A 101 0.554 -7.511 -30.415 1.00 0.00 C ATOM 1538 CG LYS A 101 -0.397 -6.363 -30.063 1.00 0.00 C ATOM 1539 CD LYS A 101 -0.825 -6.436 -28.594 1.00 0.00 C ATOM 1540 CE LYS A 101 -1.584 -7.720 -28.255 1.00 0.00 C ATOM 1541 NZ LYS A 101 -2.886 -7.781 -28.951 1.00 0.00 N ATOM 0 H LYS A 101 2.633 -8.704 -31.202 1.00 0.00 H new ATOM 0 HA LYS A 101 0.373 -7.353 -32.531 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.010 -8.455 -30.384 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.342 -7.572 -29.665 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.092 -5.408 -30.256 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.277 -6.405 -30.705 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.059 -6.365 -27.960 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.454 -5.577 -28.362 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.981 -8.584 -28.533 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.743 -7.776 -27.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.410 -8.621 -28.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.437 -6.926 -28.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.729 -7.838 -29.977 1.00 0.00 H new ATOM 1555 N VAL A 102 1.278 -5.011 -32.576 1.00 0.00 N ATOM 1556 CA VAL A 102 1.842 -3.672 -32.726 1.00 0.00 C ATOM 1557 C VAL A 102 0.775 -2.634 -32.407 1.00 0.00 C ATOM 1558 O VAL A 102 -0.385 -2.810 -32.773 1.00 0.00 O ATOM 1559 CB VAL A 102 2.436 -3.492 -34.133 1.00 0.00 C ATOM 1560 CG1 VAL A 102 3.064 -2.110 -34.314 1.00 0.00 C ATOM 1561 CG2 VAL A 102 3.514 -4.544 -34.408 1.00 0.00 C ATOM 0 H VAL A 102 0.361 -5.123 -33.008 1.00 0.00 H new ATOM 0 HA VAL A 102 2.662 -3.534 -32.021 1.00 0.00 H new ATOM 0 HB VAL A 102 1.609 -3.605 -34.834 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.472 -2.025 -35.321 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.305 -1.343 -34.164 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.864 -1.976 -33.586 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.919 -4.397 -35.409 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.314 -4.445 -33.674 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.077 -5.540 -34.337 1.00 0.00 H new ATOM 1571 N GLN A 103 1.153 -1.548 -31.723 1.00 0.00 N ATOM 1572 CA GLN A 103 0.187 -0.573 -31.236 1.00 0.00 C ATOM 1573 C GLN A 103 0.822 0.811 -31.087 1.00 0.00 C ATOM 1574 O GLN A 103 2.037 0.928 -30.952 1.00 0.00 O ATOM 1575 CB GLN A 103 -0.329 -1.084 -29.888 1.00 0.00 C ATOM 1576 CG GLN A 103 -1.504 -0.266 -29.339 1.00 0.00 C ATOM 1577 CD GLN A 103 -1.913 -0.746 -27.952 1.00 0.00 C ATOM 1578 OE1 GLN A 103 -0.943 -1.176 -27.156 1.00 0.00 O flip ATOM 1579 NE2 GLN A 103 -3.091 -0.727 -27.600 1.00 0.00 N flip ATOM 0 H GLN A 103 2.123 -1.328 -31.497 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.632 -0.464 -31.947 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.638 -2.124 -29.996 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.486 -1.067 -29.165 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.227 0.787 -29.295 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.353 -0.344 -30.018 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -3.809 -0.389 -28.241 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.350 -1.049 -26.667 1.00 0.00 H new ATOM 1588 N LEU A 104 0.003 1.865 -31.109 1.00 0.00 N ATOM 1589 CA LEU A 104 0.457 3.228 -30.866 1.00 0.00 C ATOM 1590 C LEU A 104 0.644 3.452 -29.361 1.00 0.00 C ATOM 1591 O LEU A 104 -0.027 2.817 -28.549 1.00 0.00 O ATOM 1592 CB LEU A 104 -0.589 4.196 -31.433 1.00 0.00 C ATOM 1593 CG LEU A 104 0.029 5.295 -32.303 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -1.092 6.124 -32.925 1.00 0.00 C ATOM 1595 CD2 LEU A 104 0.914 6.226 -31.479 1.00 0.00 C ATOM 0 H LEU A 104 -0.997 1.792 -31.297 1.00 0.00 H new ATOM 0 HA LEU A 104 1.415 3.402 -31.356 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.313 3.636 -32.024 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.136 4.655 -30.610 1.00 0.00 H new ATOM 0 HG LEU A 104 0.640 4.818 -33.070 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.662 6.909 -33.546 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.723 5.481 -33.538 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.693 6.575 -32.135 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.337 6.994 -32.127 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.318 6.698 -30.698 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.721 5.652 -31.023 1.00 0.00 H new ATOM 1607 N LYS A 105 1.551 4.355 -28.975 1.00 0.00 N ATOM 1608 CA LYS A 105 1.742 4.712 -27.576 1.00 0.00 C ATOM 1609 C LYS A 105 0.496 5.435 -27.057 1.00 0.00 C ATOM 1610 O LYS A 105 -0.170 6.142 -27.815 1.00 0.00 O ATOM 1611 CB LYS A 105 2.998 5.577 -27.445 1.00 0.00 C ATOM 1612 CG LYS A 105 3.248 5.894 -25.970 1.00 0.00 C ATOM 1613 CD LYS A 105 4.623 6.527 -25.775 1.00 0.00 C ATOM 1614 CE LYS A 105 4.867 6.781 -24.287 1.00 0.00 C ATOM 1615 NZ LYS A 105 4.918 5.524 -23.515 1.00 0.00 N ATOM 0 H LYS A 105 2.165 4.852 -29.620 1.00 0.00 H new ATOM 0 HA LYS A 105 1.882 3.817 -26.970 1.00 0.00 H new ATOM 0 HB2 LYS A 105 3.857 5.055 -27.866 1.00 0.00 H new ATOM 0 HB3 LYS A 105 2.877 6.501 -28.011 1.00 0.00 H new ATOM 0 HG2 LYS A 105 2.476 6.571 -25.603 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.177 4.980 -25.380 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.396 5.870 -26.173 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.685 7.464 -26.329 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.804 7.323 -24.160 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.075 7.417 -23.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.346 5.705 -22.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 3.954 5.156 -23.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.491 4.824 -24.029 1.00 0.00 H new