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 :FLIP amide:sc= 0.433 F(o=0.32,f=0.92) USER MOD Set 1.2: A 82 SER OG : rot 100:sc= 0.49 USER MOD Set 2.1: A 43 GLN : amide:sc= 0.544 K(o=0.8,f=-0.59) USER MOD Set 2.2: A 47 GLN : amide:sc= 0.253 K(o=0.8,f=-0.59) USER MOD Single : A 30 ASN : amide:sc= -0.0775 K(o=-0.077,f=-1.1) USER MOD Single : A 34 TYR OH : rot 53:sc= 0.813 USER MOD Single : A 35 HIS : no HE2:sc= -1.33 K(o=-1.3,f=-7.4!) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -121:sc= -0.916 (180deg=-1.49) USER MOD Single : A 54 ASN : amide:sc= 1.03 K(o=1,f=-0.45) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0164) USER MOD Single : A 64 LYS NZ :NH3+ -170:sc=-0.00839 (180deg=-0.139) USER MOD Single : A 65 GLN : amide:sc= 0.976 K(o=0.98,f=-0.017) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 67 ASN : amide:sc= -0.232 K(o=-0.23,f=-1.1) USER MOD Single : A 69 SER OG : rot 159:sc= 0.0431 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 37:sc= 1.72 USER MOD Single : A 77 TYR OH : rot 25:sc= 0.402 USER MOD Single : A 84 GLN : amide:sc= -0.877 X(o=-0.88,f=-0.59) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 90 MET CE :methyl 155:sc= -0.159 (180deg=-0.773) USER MOD Single : A 91 ASN : amide:sc=-0.00633 K(o=-0.0063,f=-1.5) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 97 MET CE :methyl 162:sc= -0.0617 (180deg=-0.459) USER MOD Single : A 98 LYS NZ :NH3+ 169:sc= -0.0184 (180deg=-0.192) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.3) USER MOD Single : A 105 LYS NZ :NH3+ -161:sc= 1.13 (180deg=0.9) USER MOD ----------------------------------------------------------------- ATOM 344 N GLU A 24 12.933 9.627 -29.201 1.00 0.00 N ATOM 345 CA GLU A 24 11.699 9.522 -29.963 1.00 0.00 C ATOM 346 C GLU A 24 11.381 10.821 -30.696 1.00 0.00 C ATOM 347 O GLU A 24 11.947 11.875 -30.409 1.00 0.00 O ATOM 348 CB GLU A 24 10.537 9.112 -29.059 1.00 0.00 C ATOM 349 CG GLU A 24 10.468 9.960 -27.785 1.00 0.00 C ATOM 350 CD GLU A 24 9.256 9.599 -26.930 1.00 0.00 C ATOM 351 OE1 GLU A 24 8.477 8.714 -27.346 1.00 0.00 O ATOM 352 OE2 GLU A 24 9.113 10.213 -25.849 1.00 0.00 O ATOM 0 HA GLU A 24 11.841 8.746 -30.715 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.600 9.208 -29.608 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.642 8.061 -28.789 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.379 9.817 -27.203 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.423 11.016 -28.053 1.00 0.00 H new ATOM 359 N GLY A 25 10.463 10.717 -31.657 1.00 0.00 N ATOM 360 CA GLY A 25 10.033 11.810 -32.505 1.00 0.00 C ATOM 361 C GLY A 25 8.867 12.605 -31.915 1.00 0.00 C ATOM 362 O GLY A 25 8.664 12.605 -30.698 1.00 0.00 O ATOM 0 H GLY A 25 9.988 9.839 -31.867 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.874 12.482 -32.675 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.740 11.414 -33.477 1.00 0.00 H new ATOM 366 N PRO A 26 8.099 13.284 -32.778 1.00 0.00 N ATOM 367 CA PRO A 26 6.959 14.107 -32.400 1.00 0.00 C ATOM 368 C PRO A 26 5.789 13.254 -31.909 1.00 0.00 C ATOM 369 O PRO A 26 5.879 12.027 -31.839 1.00 0.00 O ATOM 370 CB PRO A 26 6.589 14.874 -33.672 1.00 0.00 C ATOM 371 CG PRO A 26 7.004 13.919 -34.786 1.00 0.00 C ATOM 372 CD PRO A 26 8.280 13.299 -34.217 1.00 0.00 C ATOM 0 HA PRO A 26 7.200 14.775 -31.573 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.523 15.100 -33.711 1.00 0.00 H new ATOM 0 HB3 PRO A 26 7.119 15.824 -33.738 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.239 13.168 -34.985 1.00 0.00 H new ATOM 0 HG3 PRO A 26 7.188 14.442 -35.724 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.432 12.291 -34.603 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.157 13.883 -34.496 1.00 0.00 H new ATOM 380 N GLU A 27 4.680 13.915 -31.568 1.00 0.00 N ATOM 381 CA GLU A 27 3.489 13.261 -31.050 1.00 0.00 C ATOM 382 C GLU A 27 2.959 12.213 -32.031 1.00 0.00 C ATOM 383 O GLU A 27 2.785 12.490 -33.219 1.00 0.00 O ATOM 384 CB GLU A 27 2.435 14.334 -30.753 1.00 0.00 C ATOM 385 CG GLU A 27 1.072 13.769 -30.340 1.00 0.00 C ATOM 386 CD GLU A 27 1.078 13.120 -28.956 1.00 0.00 C ATOM 387 OE1 GLU A 27 -0.036 12.790 -28.482 1.00 0.00 O ATOM 388 OE2 GLU A 27 2.175 12.957 -28.379 1.00 0.00 O ATOM 0 H GLU A 27 4.589 14.928 -31.647 1.00 0.00 H new ATOM 0 HA GLU A 27 3.735 12.729 -30.131 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.805 14.982 -29.958 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.306 14.957 -31.638 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.335 14.572 -30.353 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.754 13.032 -31.077 1.00 0.00 H new ATOM 395 N GLY A 28 2.701 11.005 -31.526 1.00 0.00 N ATOM 396 CA GLY A 28 2.121 9.917 -32.301 1.00 0.00 C ATOM 397 C GLY A 28 3.135 9.210 -33.197 1.00 0.00 C ATOM 398 O GLY A 28 2.783 8.249 -33.878 1.00 0.00 O ATOM 0 H GLY A 28 2.893 10.756 -30.556 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.679 9.190 -31.620 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.312 10.309 -32.918 1.00 0.00 H new ATOM 402 N ALA A 29 4.388 9.675 -33.205 1.00 0.00 N ATOM 403 CA ALA A 29 5.439 9.103 -34.030 1.00 0.00 C ATOM 404 C ALA A 29 6.201 7.999 -33.297 1.00 0.00 C ATOM 405 O ALA A 29 7.414 7.868 -33.460 1.00 0.00 O ATOM 406 CB ALA A 29 6.367 10.218 -34.502 1.00 0.00 C ATOM 0 H ALA A 29 4.696 10.462 -32.634 1.00 0.00 H new ATOM 0 HA ALA A 29 4.986 8.628 -34.901 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.158 9.795 -35.122 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.798 10.943 -35.084 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.809 10.714 -33.638 1.00 0.00 H new ATOM 412 N ASN A 30 5.507 7.200 -32.484 1.00 0.00 N ATOM 413 CA ASN A 30 6.143 6.170 -31.674 1.00 0.00 C ATOM 414 C ASN A 30 5.290 4.908 -31.610 1.00 0.00 C ATOM 415 O ASN A 30 4.068 4.993 -31.509 1.00 0.00 O ATOM 416 CB ASN A 30 6.481 6.716 -30.281 1.00 0.00 C ATOM 417 CG ASN A 30 5.607 7.898 -29.875 1.00 0.00 C ATOM 418 OD1 ASN A 30 4.391 7.880 -30.039 1.00 0.00 O ATOM 419 ND2 ASN A 30 6.225 8.940 -29.337 1.00 0.00 N ATOM 0 H ASN A 30 4.494 7.251 -32.372 1.00 0.00 H new ATOM 0 HA ASN A 30 7.081 5.885 -32.150 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.367 5.918 -29.547 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.527 7.021 -30.261 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.688 9.757 -29.046 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.237 8.925 -29.214 1.00 0.00 H new ATOM 426 N LEU A 31 5.940 3.742 -31.673 1.00 0.00 N ATOM 427 CA LEU A 31 5.258 2.466 -31.796 1.00 0.00 C ATOM 428 C LEU A 31 5.657 1.461 -30.726 1.00 0.00 C ATOM 429 O LEU A 31 6.686 1.586 -30.067 1.00 0.00 O ATOM 430 CB LEU A 31 5.553 1.837 -33.159 1.00 0.00 C ATOM 431 CG LEU A 31 5.150 2.700 -34.353 1.00 0.00 C ATOM 432 CD1 LEU A 31 5.402 1.888 -35.617 1.00 0.00 C ATOM 433 CD2 LEU A 31 3.668 3.051 -34.295 1.00 0.00 C ATOM 0 H LEU A 31 6.957 3.665 -31.639 1.00 0.00 H new ATOM 0 HA LEU A 31 4.197 2.687 -31.678 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.620 1.624 -33.224 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.033 0.881 -33.225 1.00 0.00 H new ATOM 0 HG LEU A 31 5.728 3.624 -34.342 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.123 2.478 -36.490 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.459 1.627 -35.677 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.804 0.977 -35.589 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.406 3.666 -35.156 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.076 2.136 -34.309 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.460 3.603 -33.378 1.00 0.00 H new ATOM 445 N PHE A 32 4.798 0.452 -30.586 1.00 0.00 N ATOM 446 CA PHE A 32 4.984 -0.710 -29.743 1.00 0.00 C ATOM 447 C PHE A 32 4.986 -2.039 -30.477 1.00 0.00 C ATOM 448 O PHE A 32 4.239 -2.208 -31.437 1.00 0.00 O ATOM 449 CB PHE A 32 4.027 -0.705 -28.559 1.00 0.00 C ATOM 450 CG PHE A 32 4.535 0.093 -27.392 1.00 0.00 C ATOM 451 CD1 PHE A 32 5.012 -0.578 -26.263 1.00 0.00 C ATOM 452 CD2 PHE A 32 4.536 1.491 -27.438 1.00 0.00 C ATOM 453 CE1 PHE A 32 5.492 0.145 -25.166 1.00 0.00 C ATOM 454 CE2 PHE A 32 5.040 2.219 -26.351 1.00 0.00 C ATOM 455 CZ PHE A 32 5.517 1.545 -25.218 1.00 0.00 C ATOM 0 H PHE A 32 3.910 0.430 -31.087 1.00 0.00 H new ATOM 0 HA PHE A 32 5.999 -0.617 -29.356 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.067 -0.300 -28.878 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.849 -1.732 -28.239 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.010 -1.658 -26.237 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.151 2.006 -28.305 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.841 -0.372 -24.285 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.061 3.298 -26.386 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.905 2.107 -24.382 1.00 0.00 H new ATOM 465 N ILE A 33 5.821 -2.976 -30.026 1.00 0.00 N ATOM 466 CA ILE A 33 5.937 -4.284 -30.643 1.00 0.00 C ATOM 467 C ILE A 33 6.029 -5.320 -29.532 1.00 0.00 C ATOM 468 O ILE A 33 6.903 -5.216 -28.676 1.00 0.00 O ATOM 469 CB ILE A 33 7.172 -4.340 -31.556 1.00 0.00 C ATOM 470 CG1 ILE A 33 7.256 -3.190 -32.571 1.00 0.00 C ATOM 471 CG2 ILE A 33 7.149 -5.667 -32.314 1.00 0.00 C ATOM 472 CD1 ILE A 33 7.904 -1.922 -32.008 1.00 0.00 C ATOM 0 H ILE A 33 6.434 -2.842 -29.221 1.00 0.00 H new ATOM 0 HA ILE A 33 5.066 -4.489 -31.266 1.00 0.00 H new ATOM 0 HB ILE A 33 8.046 -4.245 -30.912 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.824 -3.524 -33.439 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.252 -2.950 -32.920 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.018 -5.727 -32.969 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.173 -6.493 -31.603 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.240 -5.729 -32.912 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.929 -1.153 -32.780 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.324 -1.564 -31.158 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.921 -2.146 -31.685 1.00 0.00 H new ATOM 484 N TYR A 34 5.141 -6.315 -29.542 1.00 0.00 N ATOM 485 CA TYR A 34 5.079 -7.322 -28.493 1.00 0.00 C ATOM 486 C TYR A 34 5.096 -8.689 -29.185 1.00 0.00 C ATOM 487 O TYR A 34 5.148 -8.778 -30.412 1.00 0.00 O ATOM 488 CB TYR A 34 3.755 -7.153 -27.742 1.00 0.00 C ATOM 489 CG TYR A 34 3.352 -5.729 -27.414 1.00 0.00 C ATOM 490 CD1 TYR A 34 3.879 -5.088 -26.281 1.00 0.00 C ATOM 491 CD2 TYR A 34 2.435 -5.053 -28.233 1.00 0.00 C ATOM 492 CE1 TYR A 34 3.459 -3.790 -25.942 1.00 0.00 C ATOM 493 CE2 TYR A 34 1.994 -3.769 -27.888 1.00 0.00 C ATOM 494 CZ TYR A 34 2.495 -3.137 -26.731 1.00 0.00 C ATOM 495 OH TYR A 34 2.047 -1.896 -26.387 1.00 0.00 O ATOM 0 H TYR A 34 4.447 -6.442 -30.279 1.00 0.00 H new ATOM 0 HA TYR A 34 5.910 -7.230 -27.794 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.962 -7.605 -28.338 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.814 -7.716 -26.811 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.610 -5.594 -25.668 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.068 -5.524 -29.133 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.876 -3.295 -25.077 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.270 -3.263 -28.509 1.00 0.00 H new ATOM 0 HH TYR A 34 2.811 -1.297 -26.255 1.00 0.00 H new ATOM 505 N HIS A 35 5.051 -9.753 -28.378 1.00 0.00 N ATOM 506 CA HIS A 35 5.124 -11.145 -28.820 1.00 0.00 C ATOM 507 C HIS A 35 6.457 -11.486 -29.492 1.00 0.00 C ATOM 508 O HIS A 35 6.555 -12.504 -30.175 1.00 0.00 O ATOM 509 CB HIS A 35 3.936 -11.516 -29.714 1.00 0.00 C ATOM 510 CG HIS A 35 2.569 -11.208 -29.169 1.00 0.00 C ATOM 511 ND1 HIS A 35 1.380 -11.400 -29.847 1.00 0.00 N ATOM 512 CD2 HIS A 35 2.261 -10.697 -27.937 1.00 0.00 C ATOM 513 CE1 HIS A 35 0.370 -11.027 -29.040 1.00 0.00 C ATOM 514 NE2 HIS A 35 0.885 -10.600 -27.874 1.00 0.00 N ATOM 0 H HIS A 35 4.960 -9.664 -27.366 1.00 0.00 H new ATOM 0 HA HIS A 35 5.067 -11.755 -27.918 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.049 -10.997 -30.666 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.987 -12.584 -29.925 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.285 -11.762 -30.796 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.961 -10.422 -27.162 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.680 -11.064 -29.288 1.00 0.00 H new ATOM 523 N LEU A 36 7.484 -10.650 -29.315 1.00 0.00 N ATOM 524 CA LEU A 36 8.798 -10.898 -29.887 1.00 0.00 C ATOM 525 C LEU A 36 9.451 -12.098 -29.196 1.00 0.00 C ATOM 526 O LEU A 36 9.306 -12.264 -27.985 1.00 0.00 O ATOM 527 CB LEU A 36 9.685 -9.661 -29.713 1.00 0.00 C ATOM 528 CG LEU A 36 9.183 -8.452 -30.505 1.00 0.00 C ATOM 529 CD1 LEU A 36 9.976 -7.213 -30.092 1.00 0.00 C ATOM 530 CD2 LEU A 36 9.390 -8.659 -32.001 1.00 0.00 C ATOM 0 H LEU A 36 7.423 -9.788 -28.773 1.00 0.00 H new ATOM 0 HA LEU A 36 8.685 -11.113 -30.950 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.734 -9.401 -28.656 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.700 -9.901 -30.030 1.00 0.00 H new ATOM 0 HG LEU A 36 8.121 -8.328 -30.296 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.621 -6.350 -30.654 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.840 -7.033 -29.026 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.034 -7.372 -30.301 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.025 -7.786 -32.543 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.452 -8.796 -32.206 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.841 -9.543 -32.325 1.00 0.00 H new ATOM 542 N PRO A 37 10.177 -12.935 -29.948 1.00 0.00 N ATOM 543 CA PRO A 37 10.946 -14.033 -29.395 1.00 0.00 C ATOM 544 C PRO A 37 12.192 -13.489 -28.694 1.00 0.00 C ATOM 545 O PRO A 37 12.581 -12.339 -28.901 1.00 0.00 O ATOM 546 CB PRO A 37 11.298 -14.913 -30.595 1.00 0.00 C ATOM 547 CG PRO A 37 11.407 -13.896 -31.728 1.00 0.00 C ATOM 548 CD PRO A 37 10.317 -12.879 -31.390 1.00 0.00 C ATOM 0 HA PRO A 37 10.400 -14.603 -28.644 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.233 -15.453 -30.442 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.528 -15.659 -30.791 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.393 -13.433 -31.760 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.239 -14.358 -32.701 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.597 -11.878 -31.720 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.379 -13.128 -31.886 1.00 0.00 H new ATOM 556 N GLN A 38 12.821 -14.317 -27.855 1.00 0.00 N ATOM 557 CA GLN A 38 13.948 -13.898 -27.033 1.00 0.00 C ATOM 558 C GLN A 38 15.200 -13.604 -27.865 1.00 0.00 C ATOM 559 O GLN A 38 16.125 -12.946 -27.388 1.00 0.00 O ATOM 560 CB GLN A 38 14.208 -14.990 -25.990 1.00 0.00 C ATOM 561 CG GLN A 38 15.425 -14.674 -25.118 1.00 0.00 C ATOM 562 CD GLN A 38 15.539 -15.620 -23.927 1.00 0.00 C ATOM 563 OE1 GLN A 38 14.647 -16.422 -23.656 1.00 0.00 O ATOM 564 NE2 GLN A 38 16.649 -15.529 -23.203 1.00 0.00 N ATOM 0 H GLN A 38 12.560 -15.295 -27.730 1.00 0.00 H new ATOM 0 HA GLN A 38 13.700 -12.959 -26.537 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.328 -15.103 -25.357 1.00 0.00 H new ATOM 0 HB3 GLN A 38 14.362 -15.944 -26.495 1.00 0.00 H new ATOM 0 HG2 GLN A 38 16.330 -14.741 -25.722 1.00 0.00 H new ATOM 0 HG3 GLN A 38 15.357 -13.647 -24.759 1.00 0.00 H new ATOM 0 HE21 GLN A 38 17.369 -14.852 -23.456 1.00 0.00 H new ATOM 0 HE22 GLN A 38 16.781 -16.136 -22.394 1.00 0.00 H new ATOM 573 N GLU A 39 15.242 -14.087 -29.111 1.00 0.00 N ATOM 574 CA GLU A 39 16.393 -13.889 -29.983 1.00 0.00 C ATOM 575 C GLU A 39 16.470 -12.455 -30.517 1.00 0.00 C ATOM 576 O GLU A 39 17.484 -12.085 -31.108 1.00 0.00 O ATOM 577 CB GLU A 39 16.345 -14.913 -31.120 1.00 0.00 C ATOM 578 CG GLU A 39 15.076 -14.777 -31.962 1.00 0.00 C ATOM 579 CD GLU A 39 14.992 -15.846 -33.049 1.00 0.00 C ATOM 580 OE1 GLU A 39 15.973 -16.608 -33.204 1.00 0.00 O ATOM 581 OE2 GLU A 39 13.940 -15.897 -33.724 1.00 0.00 O ATOM 0 H GLU A 39 14.484 -14.621 -29.536 1.00 0.00 H new ATOM 0 HA GLU A 39 17.302 -14.044 -29.402 1.00 0.00 H new ATOM 0 HB2 GLU A 39 17.219 -14.786 -31.759 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.398 -15.919 -30.704 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.202 -14.849 -31.315 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.051 -13.789 -32.422 1.00 0.00 H new ATOM 588 N PHE A 40 15.424 -11.644 -30.322 1.00 0.00 N ATOM 589 CA PHE A 40 15.445 -10.236 -30.695 1.00 0.00 C ATOM 590 C PHE A 40 16.311 -9.334 -29.821 1.00 0.00 C ATOM 591 O PHE A 40 16.616 -9.666 -28.678 1.00 0.00 O ATOM 592 CB PHE A 40 14.048 -9.659 -30.926 1.00 0.00 C ATOM 593 CG PHE A 40 13.460 -9.929 -32.296 1.00 0.00 C ATOM 594 CD1 PHE A 40 12.936 -8.867 -33.051 1.00 0.00 C ATOM 595 CD2 PHE A 40 13.435 -11.230 -32.819 1.00 0.00 C ATOM 596 CE1 PHE A 40 12.380 -9.106 -34.315 1.00 0.00 C ATOM 597 CE2 PHE A 40 12.883 -11.469 -34.083 1.00 0.00 C ATOM 598 CZ PHE A 40 12.354 -10.410 -34.830 1.00 0.00 C ATOM 0 H PHE A 40 14.546 -11.949 -29.903 1.00 0.00 H new ATOM 0 HA PHE A 40 15.957 -10.239 -31.657 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.374 -10.066 -30.172 1.00 0.00 H new ATOM 0 HB3 PHE A 40 14.087 -8.581 -30.770 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.962 -7.862 -32.656 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.843 -12.049 -32.245 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.973 -8.288 -34.891 1.00 0.00 H new ATOM 0 HE2 PHE A 40 12.865 -12.472 -34.483 1.00 0.00 H new ATOM 0 HZ PHE A 40 11.926 -10.597 -35.804 1.00 0.00 H new ATOM 608 N GLY A 41 16.705 -8.189 -30.377 1.00 0.00 N ATOM 609 CA GLY A 41 17.494 -7.199 -29.666 1.00 0.00 C ATOM 610 C GLY A 41 17.292 -5.818 -30.285 1.00 0.00 C ATOM 611 O GLY A 41 16.594 -5.678 -31.287 1.00 0.00 O ATOM 0 H GLY A 41 16.482 -7.926 -31.337 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.205 -7.180 -28.615 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.549 -7.471 -29.702 1.00 0.00 H new ATOM 615 N ASP A 42 17.903 -4.795 -29.689 1.00 0.00 N ATOM 616 CA ASP A 42 17.738 -3.420 -30.139 1.00 0.00 C ATOM 617 C ASP A 42 18.106 -3.178 -31.601 1.00 0.00 C ATOM 618 O ASP A 42 17.437 -2.415 -32.293 1.00 0.00 O ATOM 619 CB ASP A 42 18.490 -2.457 -29.217 1.00 0.00 C ATOM 620 CG ASP A 42 19.913 -2.901 -28.876 1.00 0.00 C ATOM 621 OD1 ASP A 42 20.505 -2.262 -27.979 1.00 0.00 O ATOM 622 OD2 ASP A 42 20.406 -3.865 -29.504 1.00 0.00 O ATOM 0 H ASP A 42 18.522 -4.898 -28.885 1.00 0.00 H new ATOM 0 HA ASP A 42 16.668 -3.222 -30.081 1.00 0.00 H new ATOM 0 HB2 ASP A 42 18.531 -1.476 -29.690 1.00 0.00 H new ATOM 0 HB3 ASP A 42 17.925 -2.342 -28.292 1.00 0.00 H new ATOM 627 N GLN A 43 19.171 -3.829 -32.068 1.00 0.00 N ATOM 628 CA GLN A 43 19.617 -3.716 -33.447 1.00 0.00 C ATOM 629 C GLN A 43 18.692 -4.498 -34.378 1.00 0.00 C ATOM 630 O GLN A 43 18.459 -4.094 -35.514 1.00 0.00 O ATOM 631 CB GLN A 43 21.042 -4.258 -33.543 1.00 0.00 C ATOM 632 CG GLN A 43 21.598 -4.149 -34.964 1.00 0.00 C ATOM 633 CD GLN A 43 21.728 -2.707 -35.442 1.00 0.00 C ATOM 634 OE1 GLN A 43 21.767 -1.768 -34.651 1.00 0.00 O ATOM 635 NE2 GLN A 43 21.796 -2.521 -36.756 1.00 0.00 N ATOM 0 H GLN A 43 19.746 -4.449 -31.497 1.00 0.00 H new ATOM 0 HA GLN A 43 19.594 -2.670 -33.753 1.00 0.00 H new ATOM 0 HB2 GLN A 43 21.687 -3.708 -32.857 1.00 0.00 H new ATOM 0 HB3 GLN A 43 21.056 -5.301 -33.226 1.00 0.00 H new ATOM 0 HG2 GLN A 43 22.576 -4.629 -35.004 1.00 0.00 H new ATOM 0 HG3 GLN A 43 20.947 -4.695 -35.646 1.00 0.00 H new ATOM 0 HE21 GLN A 43 21.761 -3.322 -37.387 1.00 0.00 H new ATOM 0 HE22 GLN A 43 21.883 -1.578 -37.134 1.00 0.00 H new ATOM 644 N ASP A 44 18.163 -5.624 -33.900 1.00 0.00 N ATOM 645 CA ASP A 44 17.291 -6.457 -34.713 1.00 0.00 C ATOM 646 C ASP A 44 15.926 -5.842 -34.996 1.00 0.00 C ATOM 647 O ASP A 44 15.433 -5.920 -36.120 1.00 0.00 O ATOM 648 CB ASP A 44 17.154 -7.855 -34.103 1.00 0.00 C ATOM 649 CG ASP A 44 18.436 -8.684 -34.229 1.00 0.00 C ATOM 650 OD1 ASP A 44 19.423 -8.170 -34.804 1.00 0.00 O ATOM 651 OD2 ASP A 44 18.416 -9.833 -33.741 1.00 0.00 O ATOM 0 H ASP A 44 18.325 -5.976 -32.956 1.00 0.00 H new ATOM 0 HA ASP A 44 17.777 -6.537 -35.685 1.00 0.00 H new ATOM 0 HB2 ASP A 44 16.888 -7.763 -33.050 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.336 -8.382 -34.593 1.00 0.00 H new ATOM 656 N ILE A 45 15.312 -5.227 -33.983 1.00 0.00 N ATOM 657 CA ILE A 45 14.021 -4.582 -34.158 1.00 0.00 C ATOM 658 C ILE A 45 14.209 -3.272 -34.926 1.00 0.00 C ATOM 659 O ILE A 45 13.290 -2.807 -35.600 1.00 0.00 O ATOM 660 CB ILE A 45 13.384 -4.351 -32.781 1.00 0.00 C ATOM 661 CG1 ILE A 45 11.904 -3.992 -32.946 1.00 0.00 C ATOM 662 CG2 ILE A 45 14.110 -3.249 -32.006 1.00 0.00 C ATOM 663 CD1 ILE A 45 11.205 -3.949 -31.590 1.00 0.00 C ATOM 0 H ILE A 45 15.691 -5.165 -33.038 1.00 0.00 H new ATOM 0 HA ILE A 45 13.350 -5.216 -34.738 1.00 0.00 H new ATOM 0 HB ILE A 45 13.472 -5.274 -32.208 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.812 -3.024 -33.439 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.416 -4.725 -33.589 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.633 -3.112 -31.036 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.152 -3.533 -31.861 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.063 -2.317 -32.569 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.155 -3.692 -31.730 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.279 -4.925 -31.111 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.681 -3.199 -30.959 1.00 0.00 H new ATOM 675 N LEU A 46 15.403 -2.678 -34.830 1.00 0.00 N ATOM 676 CA LEU A 46 15.725 -1.457 -35.544 1.00 0.00 C ATOM 677 C LEU A 46 15.706 -1.735 -37.042 1.00 0.00 C ATOM 678 O LEU A 46 15.062 -1.010 -37.799 1.00 0.00 O ATOM 679 CB LEU A 46 17.090 -0.959 -35.040 1.00 0.00 C ATOM 680 CG LEU A 46 17.717 0.234 -35.768 1.00 0.00 C ATOM 681 CD1 LEU A 46 18.355 -0.177 -37.090 1.00 0.00 C ATOM 682 CD2 LEU A 46 16.718 1.370 -35.977 1.00 0.00 C ATOM 0 H LEU A 46 16.165 -3.036 -34.255 1.00 0.00 H new ATOM 0 HA LEU A 46 14.992 -0.671 -35.361 1.00 0.00 H new ATOM 0 HB2 LEU A 46 16.985 -0.694 -33.988 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.792 -1.791 -35.090 1.00 0.00 H new ATOM 0 HG LEU A 46 18.509 0.608 -35.119 1.00 0.00 H new ATOM 0 HD11 LEU A 46 18.787 0.699 -37.573 1.00 0.00 H new ATOM 0 HD12 LEU A 46 19.138 -0.912 -36.903 1.00 0.00 H new ATOM 0 HD13 LEU A 46 17.596 -0.612 -37.740 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.207 2.194 -36.497 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.879 1.012 -36.574 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.354 1.717 -35.010 1.00 0.00 H new ATOM 694 N GLN A 47 16.407 -2.785 -37.480 1.00 0.00 N ATOM 695 CA GLN A 47 16.480 -3.105 -38.899 1.00 0.00 C ATOM 696 C GLN A 47 15.142 -3.615 -39.432 1.00 0.00 C ATOM 697 O GLN A 47 14.888 -3.526 -40.633 1.00 0.00 O ATOM 698 CB GLN A 47 17.585 -4.132 -39.142 1.00 0.00 C ATOM 699 CG GLN A 47 18.953 -3.521 -38.827 1.00 0.00 C ATOM 700 CD GLN A 47 20.098 -4.379 -39.350 1.00 0.00 C ATOM 701 OE1 GLN A 47 21.053 -4.653 -38.627 1.00 0.00 O ATOM 702 NE2 GLN A 47 20.014 -4.810 -40.606 1.00 0.00 N ATOM 0 H GLN A 47 16.926 -3.420 -36.874 1.00 0.00 H new ATOM 0 HA GLN A 47 16.716 -2.190 -39.442 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.419 -5.010 -38.518 1.00 0.00 H new ATOM 0 HB3 GLN A 47 17.558 -4.467 -40.179 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.015 -2.526 -39.268 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.055 -3.399 -37.749 1.00 0.00 H new ATOM 0 HE21 GLN A 47 19.206 -4.563 -41.177 1.00 0.00 H new ATOM 0 HE22 GLN A 47 20.758 -5.388 -40.998 1.00 0.00 H new ATOM 711 N MET A 48 14.283 -4.145 -38.556 1.00 0.00 N ATOM 712 CA MET A 48 12.951 -4.569 -38.961 1.00 0.00 C ATOM 713 C MET A 48 12.057 -3.369 -39.255 1.00 0.00 C ATOM 714 O MET A 48 11.123 -3.490 -40.046 1.00 0.00 O ATOM 715 CB MET A 48 12.318 -5.422 -37.857 1.00 0.00 C ATOM 716 CG MET A 48 12.810 -6.868 -37.898 1.00 0.00 C ATOM 717 SD MET A 48 12.407 -7.744 -39.434 1.00 0.00 S ATOM 718 CE MET A 48 12.877 -9.418 -38.943 1.00 0.00 C ATOM 0 H MET A 48 14.490 -4.288 -37.568 1.00 0.00 H new ATOM 0 HA MET A 48 13.046 -5.159 -39.873 1.00 0.00 H new ATOM 0 HB2 MET A 48 12.550 -4.987 -36.885 1.00 0.00 H new ATOM 0 HB3 MET A 48 11.233 -5.405 -37.963 1.00 0.00 H new ATOM 0 HG2 MET A 48 13.891 -6.877 -37.760 1.00 0.00 H new ATOM 0 HG3 MET A 48 12.377 -7.412 -37.058 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.697 -10.104 -39.771 1.00 0.00 H new ATOM 0 HE2 MET A 48 13.935 -9.437 -38.680 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.283 -9.725 -38.082 1.00 0.00 H new ATOM 728 N PHE A 49 12.333 -2.220 -38.629 1.00 0.00 N ATOM 729 CA PHE A 49 11.522 -1.023 -38.791 1.00 0.00 C ATOM 730 C PHE A 49 12.067 0.103 -39.671 1.00 0.00 C ATOM 731 O PHE A 49 11.351 1.062 -39.960 1.00 0.00 O ATOM 732 CB PHE A 49 10.944 -0.556 -37.453 1.00 0.00 C ATOM 733 CG PHE A 49 9.790 -1.400 -36.948 1.00 0.00 C ATOM 734 CD1 PHE A 49 10.010 -2.704 -36.490 1.00 0.00 C ATOM 735 CD2 PHE A 49 8.489 -0.872 -36.935 1.00 0.00 C ATOM 736 CE1 PHE A 49 8.933 -3.482 -36.037 1.00 0.00 C ATOM 737 CE2 PHE A 49 7.411 -1.648 -36.483 1.00 0.00 C ATOM 738 CZ PHE A 49 7.633 -2.958 -36.041 1.00 0.00 C ATOM 0 H PHE A 49 13.125 -2.100 -37.998 1.00 0.00 H new ATOM 0 HA PHE A 49 10.698 -1.359 -39.421 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.737 -0.560 -36.706 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.608 0.476 -37.555 1.00 0.00 H new ATOM 0 HD1 PHE A 49 11.010 -3.112 -36.485 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.317 0.138 -37.275 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.107 -4.488 -35.684 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.413 -1.236 -36.476 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.804 -3.563 -35.704 1.00 0.00 H new ATOM 748 N MET A 50 13.327 0.009 -40.109 1.00 0.00 N ATOM 749 CA MET A 50 13.918 1.039 -40.951 1.00 0.00 C ATOM 750 C MET A 50 13.321 1.166 -42.362 1.00 0.00 C ATOM 751 O MET A 50 13.289 2.281 -42.876 1.00 0.00 O ATOM 752 CB MET A 50 15.432 0.834 -41.067 1.00 0.00 C ATOM 753 CG MET A 50 16.152 1.398 -39.844 1.00 0.00 C ATOM 754 SD MET A 50 17.917 1.715 -40.111 1.00 0.00 S ATOM 755 CE MET A 50 18.474 0.047 -40.542 1.00 0.00 C ATOM 0 H MET A 50 13.950 -0.769 -39.892 1.00 0.00 H new ATOM 0 HA MET A 50 13.680 1.972 -40.440 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.653 -0.229 -41.166 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.801 1.322 -41.969 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.667 2.328 -39.546 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.040 0.700 -39.015 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.239 -0.275 -39.835 1.00 0.00 H new ATOM 0 HE2 MET A 50 17.629 -0.641 -40.501 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.890 0.051 -41.550 1.00 0.00 H new ATOM 765 N PRO A 51 12.842 0.102 -43.028 1.00 0.00 N ATOM 766 CA PRO A 51 12.312 0.236 -44.378 1.00 0.00 C ATOM 767 C PRO A 51 10.946 0.924 -44.396 1.00 0.00 C ATOM 768 O PRO A 51 10.439 1.248 -45.469 1.00 0.00 O ATOM 769 CB PRO A 51 12.223 -1.192 -44.911 1.00 0.00 C ATOM 770 CG PRO A 51 11.960 -2.013 -43.650 1.00 0.00 C ATOM 771 CD PRO A 51 12.779 -1.284 -42.590 1.00 0.00 C ATOM 0 HA PRO A 51 12.953 0.866 -44.995 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.419 -1.302 -45.639 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.145 -1.496 -45.406 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.900 -2.035 -43.397 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.282 -3.048 -43.768 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.310 -1.364 -41.609 1.00 0.00 H new ATOM 0 HD3 PRO A 51 13.777 -1.713 -42.502 1.00 0.00 H new ATOM 779 N PHE A 52 10.347 1.150 -43.225 1.00 0.00 N ATOM 780 CA PHE A 52 9.055 1.805 -43.109 1.00 0.00 C ATOM 781 C PHE A 52 9.211 3.323 -42.979 1.00 0.00 C ATOM 782 O PHE A 52 8.235 4.056 -43.129 1.00 0.00 O ATOM 783 CB PHE A 52 8.346 1.234 -41.884 1.00 0.00 C ATOM 784 CG PHE A 52 8.182 -0.266 -41.926 1.00 0.00 C ATOM 785 CD1 PHE A 52 8.440 -1.030 -40.781 1.00 0.00 C ATOM 786 CD2 PHE A 52 7.776 -0.901 -43.108 1.00 0.00 C ATOM 787 CE1 PHE A 52 8.314 -2.424 -40.820 1.00 0.00 C ATOM 788 CE2 PHE A 52 7.660 -2.297 -43.151 1.00 0.00 C ATOM 789 CZ PHE A 52 7.933 -3.059 -42.006 1.00 0.00 C ATOM 0 H PHE A 52 10.752 0.880 -42.329 1.00 0.00 H new ATOM 0 HA PHE A 52 8.469 1.620 -44.009 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.908 1.505 -40.990 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.363 1.696 -41.795 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.737 -0.542 -39.864 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.552 -0.314 -43.986 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.511 -3.009 -39.934 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.360 -2.786 -44.066 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.849 -4.135 -42.040 1.00 0.00 H new ATOM 799 N GLY A 53 10.426 3.803 -42.695 1.00 0.00 N ATOM 800 CA GLY A 53 10.696 5.224 -42.556 1.00 0.00 C ATOM 801 C GLY A 53 11.927 5.474 -41.691 1.00 0.00 C ATOM 802 O GLY A 53 12.603 4.534 -41.273 1.00 0.00 O ATOM 0 H GLY A 53 11.245 3.211 -42.556 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.846 5.666 -43.541 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.832 5.719 -42.113 1.00 0.00 H new ATOM 806 N ASN A 54 12.226 6.744 -41.414 1.00 0.00 N ATOM 807 CA ASN A 54 13.407 7.106 -40.650 1.00 0.00 C ATOM 808 C ASN A 54 13.177 6.877 -39.164 1.00 0.00 C ATOM 809 O ASN A 54 12.495 7.662 -38.502 1.00 0.00 O ATOM 810 CB ASN A 54 13.760 8.566 -40.940 1.00 0.00 C ATOM 811 CG ASN A 54 14.916 9.044 -40.070 1.00 0.00 C ATOM 812 OD1 ASN A 54 15.836 8.286 -39.770 1.00 0.00 O ATOM 813 ND2 ASN A 54 14.876 10.305 -39.664 1.00 0.00 N ATOM 0 H ASN A 54 11.660 7.538 -41.712 1.00 0.00 H new ATOM 0 HA ASN A 54 14.243 6.474 -40.948 1.00 0.00 H new ATOM 0 HB2 ASN A 54 14.025 8.675 -41.992 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.887 9.194 -40.764 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.626 10.677 -39.082 1.00 0.00 H new ATOM 0 HD22 ASN A 54 14.095 10.903 -39.934 1.00 0.00 H new ATOM 820 N VAL A 55 13.753 5.794 -38.639 1.00 0.00 N ATOM 821 CA VAL A 55 13.667 5.451 -37.230 1.00 0.00 C ATOM 822 C VAL A 55 14.720 6.242 -36.461 1.00 0.00 C ATOM 823 O VAL A 55 15.911 6.114 -36.744 1.00 0.00 O ATOM 824 CB VAL A 55 13.892 3.945 -37.073 1.00 0.00 C ATOM 825 CG1 VAL A 55 13.932 3.546 -35.600 1.00 0.00 C ATOM 826 CG2 VAL A 55 12.764 3.172 -37.757 1.00 0.00 C ATOM 0 H VAL A 55 14.296 5.129 -39.190 1.00 0.00 H new ATOM 0 HA VAL A 55 12.684 5.702 -36.832 1.00 0.00 H new ATOM 0 HB VAL A 55 14.849 3.703 -37.536 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.093 2.471 -35.518 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.746 4.074 -35.102 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.986 3.808 -35.126 1.00 0.00 H new ATOM 0 HG21 VAL A 55 12.933 2.102 -37.640 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.811 3.441 -37.302 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.743 3.422 -38.818 1.00 0.00 H new ATOM 836 N ILE A 56 14.294 7.056 -35.490 1.00 0.00 N ATOM 837 CA ILE A 56 15.226 7.847 -34.695 1.00 0.00 C ATOM 838 C ILE A 56 15.778 7.007 -33.548 1.00 0.00 C ATOM 839 O ILE A 56 16.936 7.166 -33.160 1.00 0.00 O ATOM 840 CB ILE A 56 14.531 9.092 -34.127 1.00 0.00 C ATOM 841 CG1 ILE A 56 13.858 9.905 -35.237 1.00 0.00 C ATOM 842 CG2 ILE A 56 15.558 9.966 -33.391 1.00 0.00 C ATOM 843 CD1 ILE A 56 13.110 11.100 -34.650 1.00 0.00 C ATOM 0 H ILE A 56 13.313 7.181 -35.240 1.00 0.00 H new ATOM 0 HA ILE A 56 16.044 8.163 -35.342 1.00 0.00 H new ATOM 0 HB ILE A 56 13.759 8.765 -33.430 1.00 0.00 H new ATOM 0 HG12 ILE A 56 14.609 10.252 -35.947 1.00 0.00 H new ATOM 0 HG13 ILE A 56 13.165 9.271 -35.790 1.00 0.00 H new ATOM 0 HG21 ILE A 56 15.062 10.849 -32.989 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.003 9.396 -32.575 1.00 0.00 H new ATOM 0 HG23 ILE A 56 16.339 10.273 -34.086 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.639 11.665 -35.454 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.345 10.747 -33.958 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.811 11.743 -34.118 1.00 0.00 H new ATOM 855 N SER A 57 14.953 6.105 -33.005 1.00 0.00 N ATOM 856 CA SER A 57 15.339 5.278 -31.872 1.00 0.00 C ATOM 857 C SER A 57 14.584 3.954 -31.871 1.00 0.00 C ATOM 858 O SER A 57 13.455 3.870 -32.355 1.00 0.00 O ATOM 859 CB SER A 57 15.106 6.038 -30.566 1.00 0.00 C ATOM 860 OG SER A 57 15.444 5.227 -29.463 1.00 0.00 O ATOM 0 H SER A 57 14.005 5.933 -33.341 1.00 0.00 H new ATOM 0 HA SER A 57 16.401 5.049 -31.961 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.706 6.948 -30.555 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.062 6.343 -30.496 1.00 0.00 H new ATOM 0 HG SER A 57 15.292 5.725 -28.632 1.00 0.00 H new ATOM 866 N ALA A 58 15.221 2.922 -31.315 1.00 0.00 N ATOM 867 CA ALA A 58 14.649 1.596 -31.202 1.00 0.00 C ATOM 868 C ALA A 58 15.352 0.840 -30.078 1.00 0.00 C ATOM 869 O ALA A 58 16.563 0.980 -29.899 1.00 0.00 O ATOM 870 CB ALA A 58 14.797 0.863 -32.532 1.00 0.00 C ATOM 0 H ALA A 58 16.162 2.994 -30.928 1.00 0.00 H new ATOM 0 HA ALA A 58 13.587 1.663 -30.964 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.367 -0.135 -32.447 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.277 1.418 -33.313 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.854 0.782 -32.787 1.00 0.00 H new ATOM 876 N LYS A 59 14.598 0.039 -29.319 1.00 0.00 N ATOM 877 CA LYS A 59 15.129 -0.689 -28.176 1.00 0.00 C ATOM 878 C LYS A 59 14.224 -1.858 -27.819 1.00 0.00 C ATOM 879 O LYS A 59 13.007 -1.703 -27.759 1.00 0.00 O ATOM 880 CB LYS A 59 15.277 0.294 -27.006 1.00 0.00 C ATOM 881 CG LYS A 59 15.554 -0.352 -25.639 1.00 0.00 C ATOM 882 CD LYS A 59 14.289 -0.755 -24.869 1.00 0.00 C ATOM 883 CE LYS A 59 13.312 0.408 -24.670 1.00 0.00 C ATOM 884 NZ LYS A 59 13.920 1.510 -23.901 1.00 0.00 N ATOM 0 H LYS A 59 13.604 -0.119 -29.484 1.00 0.00 H new ATOM 0 HA LYS A 59 16.106 -1.110 -28.415 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.088 0.986 -27.234 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.365 0.886 -26.932 1.00 0.00 H new ATOM 0 HG2 LYS A 59 16.174 -1.236 -25.786 1.00 0.00 H new ATOM 0 HG3 LYS A 59 16.131 0.344 -25.030 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.784 -1.558 -25.406 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.575 -1.153 -23.895 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.987 0.779 -25.642 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.423 0.051 -24.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.208 2.248 -23.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.269 1.147 -22.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.713 1.913 -24.440 1.00 0.00 H new ATOM 898 N VAL A 60 14.816 -3.030 -27.575 1.00 0.00 N ATOM 899 CA VAL A 60 14.085 -4.179 -27.065 1.00 0.00 C ATOM 900 C VAL A 60 14.258 -4.146 -25.552 1.00 0.00 C ATOM 901 O VAL A 60 15.355 -3.895 -25.058 1.00 0.00 O ATOM 902 CB VAL A 60 14.655 -5.474 -27.654 1.00 0.00 C ATOM 903 CG1 VAL A 60 14.168 -6.702 -26.884 1.00 0.00 C ATOM 904 CG2 VAL A 60 14.193 -5.602 -29.105 1.00 0.00 C ATOM 0 H VAL A 60 15.810 -3.203 -27.726 1.00 0.00 H new ATOM 0 HA VAL A 60 13.031 -4.144 -27.340 1.00 0.00 H new ATOM 0 HB VAL A 60 15.742 -5.428 -27.587 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.592 -7.602 -27.329 1.00 0.00 H new ATOM 0 HG12 VAL A 60 14.484 -6.628 -25.844 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.080 -6.752 -26.930 1.00 0.00 H new ATOM 0 HG21 VAL A 60 14.593 -6.521 -29.535 1.00 0.00 H new ATOM 0 HG22 VAL A 60 13.104 -5.630 -29.139 1.00 0.00 H new ATOM 0 HG23 VAL A 60 14.552 -4.747 -29.678 1.00 0.00 H new ATOM 914 N PHE A 61 13.178 -4.397 -24.810 1.00 0.00 N ATOM 915 CA PHE A 61 13.212 -4.310 -23.363 1.00 0.00 C ATOM 916 C PHE A 61 14.042 -5.397 -22.680 1.00 0.00 C ATOM 917 O PHE A 61 14.149 -6.508 -23.200 1.00 0.00 O ATOM 918 CB PHE A 61 11.797 -4.198 -22.800 1.00 0.00 C ATOM 919 CG PHE A 61 11.137 -2.870 -23.085 1.00 0.00 C ATOM 920 CD1 PHE A 61 11.465 -1.752 -22.312 1.00 0.00 C ATOM 921 CD2 PHE A 61 10.206 -2.756 -24.125 1.00 0.00 C ATOM 922 CE1 PHE A 61 10.856 -0.518 -22.575 1.00 0.00 C ATOM 923 CE2 PHE A 61 9.603 -1.518 -24.396 1.00 0.00 C ATOM 924 CZ PHE A 61 9.929 -0.398 -23.620 1.00 0.00 C ATOM 0 H PHE A 61 12.271 -4.662 -25.195 1.00 0.00 H new ATOM 0 HA PHE A 61 13.748 -3.392 -23.123 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.184 -4.996 -23.219 1.00 0.00 H new ATOM 0 HB3 PHE A 61 11.830 -4.354 -21.722 1.00 0.00 H new ATOM 0 HD1 PHE A 61 12.187 -1.840 -21.513 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.952 -3.621 -24.719 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.101 0.343 -21.971 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.889 -1.429 -25.201 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.467 0.556 -23.826 1.00 0.00 H new ATOM 934 N ILE A 62 14.626 -5.082 -21.520 1.00 0.00 N ATOM 935 CA ILE A 62 15.480 -6.011 -20.788 1.00 0.00 C ATOM 936 C ILE A 62 15.044 -6.084 -19.326 1.00 0.00 C ATOM 937 O ILE A 62 14.642 -5.076 -18.745 1.00 0.00 O ATOM 938 CB ILE A 62 16.949 -5.570 -20.891 1.00 0.00 C ATOM 939 CG1 ILE A 62 17.428 -5.379 -22.338 1.00 0.00 C ATOM 940 CG2 ILE A 62 17.840 -6.591 -20.178 1.00 0.00 C ATOM 941 CD1 ILE A 62 17.454 -6.674 -23.149 1.00 0.00 C ATOM 0 H ILE A 62 14.518 -4.175 -21.065 1.00 0.00 H new ATOM 0 HA ILE A 62 15.384 -7.004 -21.228 1.00 0.00 H new ATOM 0 HB ILE A 62 17.022 -4.595 -20.410 1.00 0.00 H new ATOM 0 HG12 ILE A 62 16.776 -4.661 -22.836 1.00 0.00 H new ATOM 0 HG13 ILE A 62 18.429 -4.947 -22.327 1.00 0.00 H new ATOM 0 HG21 ILE A 62 18.882 -6.279 -20.251 1.00 0.00 H new ATOM 0 HG22 ILE A 62 17.553 -6.654 -19.128 1.00 0.00 H new ATOM 0 HG23 ILE A 62 17.721 -7.568 -20.646 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.802 -6.463 -24.160 1.00 0.00 H new ATOM 0 HD12 ILE A 62 18.128 -7.387 -22.674 1.00 0.00 H new ATOM 0 HD13 ILE A 62 16.450 -7.097 -23.192 1.00 0.00 H new ATOM 953 N ASP A 63 15.120 -7.276 -18.725 1.00 0.00 N ATOM 954 CA ASP A 63 14.777 -7.475 -17.320 1.00 0.00 C ATOM 955 C ASP A 63 16.012 -7.203 -16.460 1.00 0.00 C ATOM 956 O ASP A 63 17.081 -7.748 -16.727 1.00 0.00 O ATOM 957 CB ASP A 63 14.282 -8.914 -17.139 1.00 0.00 C ATOM 958 CG ASP A 63 13.796 -9.204 -15.721 1.00 0.00 C ATOM 959 OD1 ASP A 63 13.329 -10.344 -15.499 1.00 0.00 O ATOM 960 OD2 ASP A 63 13.888 -8.291 -14.867 1.00 0.00 O ATOM 0 H ASP A 63 15.421 -8.126 -19.201 1.00 0.00 H new ATOM 0 HA ASP A 63 13.988 -6.790 -17.011 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.470 -9.104 -17.841 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.088 -9.604 -17.389 1.00 0.00 H new ATOM 965 N LYS A 64 15.883 -6.368 -15.424 1.00 0.00 N ATOM 966 CA LYS A 64 17.012 -6.037 -14.560 1.00 0.00 C ATOM 967 C LYS A 64 17.353 -7.191 -13.614 1.00 0.00 C ATOM 968 O LYS A 64 18.411 -7.169 -12.987 1.00 0.00 O ATOM 969 CB LYS A 64 16.726 -4.750 -13.768 1.00 0.00 C ATOM 970 CG LYS A 64 15.705 -4.895 -12.629 1.00 0.00 C ATOM 971 CD LYS A 64 14.259 -5.064 -13.102 1.00 0.00 C ATOM 972 CE LYS A 64 13.776 -3.864 -13.922 1.00 0.00 C ATOM 973 NZ LYS A 64 13.786 -2.626 -13.112 1.00 0.00 N ATOM 0 H LYS A 64 15.008 -5.911 -15.167 1.00 0.00 H new ATOM 0 HA LYS A 64 17.880 -5.868 -15.197 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.664 -4.384 -13.349 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.368 -3.988 -14.461 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.979 -5.755 -12.018 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.765 -4.016 -11.987 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.179 -5.969 -13.704 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.609 -5.197 -12.237 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.415 -3.736 -14.796 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.768 -4.053 -14.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.299 -1.868 -13.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.297 -2.797 -12.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.769 -2.342 -12.925 1.00 0.00 H new ATOM 987 N GLN A 65 16.471 -8.187 -13.511 1.00 0.00 N ATOM 988 CA GLN A 65 16.648 -9.312 -12.605 1.00 0.00 C ATOM 989 C GLN A 65 17.406 -10.474 -13.243 1.00 0.00 C ATOM 990 O GLN A 65 17.994 -11.286 -12.537 1.00 0.00 O ATOM 991 CB GLN A 65 15.272 -9.804 -12.176 1.00 0.00 C ATOM 992 CG GLN A 65 14.580 -8.754 -11.306 1.00 0.00 C ATOM 993 CD GLN A 65 13.068 -8.933 -11.316 1.00 0.00 C ATOM 994 OE1 GLN A 65 12.442 -9.102 -10.272 1.00 0.00 O ATOM 995 NE2 GLN A 65 12.472 -8.902 -12.503 1.00 0.00 N ATOM 0 H GLN A 65 15.611 -8.232 -14.058 1.00 0.00 H new ATOM 0 HA GLN A 65 17.239 -8.965 -11.757 1.00 0.00 H new ATOM 0 HB2 GLN A 65 14.664 -10.016 -13.055 1.00 0.00 H new ATOM 0 HB3 GLN A 65 15.369 -10.738 -11.623 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.950 -8.826 -10.283 1.00 0.00 H new ATOM 0 HG3 GLN A 65 14.832 -7.757 -11.667 1.00 0.00 H new ATOM 0 HE21 GLN A 65 13.025 -8.759 -13.348 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.461 -9.021 -12.569 1.00 0.00 H new ATOM 1004 N THR A 66 17.387 -10.554 -14.575 1.00 0.00 N ATOM 1005 CA THR A 66 17.999 -11.654 -15.313 1.00 0.00 C ATOM 1006 C THR A 66 18.831 -11.227 -16.516 1.00 0.00 C ATOM 1007 O THR A 66 19.593 -12.023 -17.066 1.00 0.00 O ATOM 1008 CB THR A 66 16.959 -12.711 -15.704 1.00 0.00 C ATOM 1009 OG1 THR A 66 16.407 -12.361 -16.951 1.00 0.00 O ATOM 1010 CG2 THR A 66 15.818 -12.818 -14.695 1.00 0.00 C ATOM 0 H THR A 66 16.945 -9.854 -15.171 1.00 0.00 H new ATOM 0 HA THR A 66 18.711 -12.099 -14.618 1.00 0.00 H new ATOM 0 HB THR A 66 17.470 -13.673 -15.737 1.00 0.00 H new ATOM 0 HG1 THR A 66 15.741 -13.030 -17.213 1.00 0.00 H new ATOM 0 HG21 THR A 66 15.112 -13.581 -15.023 1.00 0.00 H new ATOM 0 HG22 THR A 66 16.220 -13.091 -13.719 1.00 0.00 H new ATOM 0 HG23 THR A 66 15.306 -11.858 -14.621 1.00 0.00 H new ATOM 1018 N ASN A 67 18.672 -9.963 -16.913 1.00 0.00 N ATOM 1019 CA ASN A 67 19.350 -9.359 -18.055 1.00 0.00 C ATOM 1020 C ASN A 67 18.993 -10.058 -19.370 1.00 0.00 C ATOM 1021 O ASN A 67 19.627 -9.809 -20.398 1.00 0.00 O ATOM 1022 CB ASN A 67 20.859 -9.303 -17.786 1.00 0.00 C ATOM 1023 CG ASN A 67 21.589 -8.406 -18.772 1.00 0.00 C ATOM 1024 OD1 ASN A 67 21.082 -7.362 -19.175 1.00 0.00 O ATOM 1025 ND2 ASN A 67 22.793 -8.805 -19.171 1.00 0.00 N ATOM 0 H ASN A 67 18.049 -9.314 -16.432 1.00 0.00 H new ATOM 0 HA ASN A 67 18.999 -8.334 -18.177 1.00 0.00 H new ATOM 0 HB2 ASN A 67 21.032 -8.941 -16.773 1.00 0.00 H new ATOM 0 HB3 ASN A 67 21.273 -10.310 -17.840 1.00 0.00 H new ATOM 0 HD21 ASN A 67 23.325 -8.238 -19.832 1.00 0.00 H new ATOM 0 HD22 ASN A 67 23.185 -9.678 -18.816 1.00 0.00 H new ATOM 1032 N LEU A 68 17.979 -10.934 -19.355 1.00 0.00 N ATOM 1033 CA LEU A 68 17.498 -11.600 -20.559 1.00 0.00 C ATOM 1034 C LEU A 68 16.561 -10.674 -21.331 1.00 0.00 C ATOM 1035 O LEU A 68 16.000 -9.734 -20.769 1.00 0.00 O ATOM 1036 CB LEU A 68 16.789 -12.908 -20.190 1.00 0.00 C ATOM 1037 CG LEU A 68 17.729 -13.898 -19.490 1.00 0.00 C ATOM 1038 CD1 LEU A 68 16.942 -15.155 -19.128 1.00 0.00 C ATOM 1039 CD2 LEU A 68 18.896 -14.302 -20.395 1.00 0.00 C ATOM 0 H LEU A 68 17.475 -11.196 -18.508 1.00 0.00 H new ATOM 0 HA LEU A 68 18.348 -11.839 -21.198 1.00 0.00 H new ATOM 0 HB2 LEU A 68 15.943 -12.690 -19.538 1.00 0.00 H new ATOM 0 HB3 LEU A 68 16.386 -13.368 -21.092 1.00 0.00 H new ATOM 0 HG LEU A 68 18.131 -13.413 -18.601 1.00 0.00 H new ATOM 0 HD11 LEU A 68 17.601 -15.866 -18.630 1.00 0.00 H new ATOM 0 HD12 LEU A 68 16.122 -14.891 -18.461 1.00 0.00 H new ATOM 0 HD13 LEU A 68 16.541 -15.607 -20.035 1.00 0.00 H new ATOM 0 HD21 LEU A 68 19.541 -15.004 -19.866 1.00 0.00 H new ATOM 0 HD22 LEU A 68 18.509 -14.774 -21.298 1.00 0.00 H new ATOM 0 HD23 LEU A 68 19.470 -13.416 -20.666 1.00 0.00 H new ATOM 1051 N SER A 69 16.395 -10.947 -22.627 1.00 0.00 N ATOM 1052 CA SER A 69 15.559 -10.138 -23.494 1.00 0.00 C ATOM 1053 C SER A 69 14.080 -10.355 -23.186 1.00 0.00 C ATOM 1054 O SER A 69 13.648 -11.496 -23.021 1.00 0.00 O ATOM 1055 CB SER A 69 15.866 -10.466 -24.955 1.00 0.00 C ATOM 1056 OG SER A 69 15.052 -9.697 -25.813 1.00 0.00 O ATOM 0 H SER A 69 16.839 -11.736 -23.097 1.00 0.00 H new ATOM 0 HA SER A 69 15.780 -9.086 -23.314 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.917 -10.268 -25.166 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.699 -11.527 -25.139 1.00 0.00 H new ATOM 0 HG SER A 69 15.468 -9.645 -26.699 1.00 0.00 H new ATOM 1062 N LYS A 70 13.307 -9.269 -23.112 1.00 0.00 N ATOM 1063 CA LYS A 70 11.868 -9.356 -22.886 1.00 0.00 C ATOM 1064 C LYS A 70 11.125 -9.656 -24.183 1.00 0.00 C ATOM 1065 O LYS A 70 11.686 -9.557 -25.273 1.00 0.00 O ATOM 1066 CB LYS A 70 11.333 -8.077 -22.244 1.00 0.00 C ATOM 1067 CG LYS A 70 11.914 -7.865 -20.843 1.00 0.00 C ATOM 1068 CD LYS A 70 11.067 -6.828 -20.106 1.00 0.00 C ATOM 1069 CE LYS A 70 11.620 -6.581 -18.705 1.00 0.00 C ATOM 1070 NZ LYS A 70 10.860 -5.520 -18.015 1.00 0.00 N ATOM 0 H LYS A 70 13.659 -8.316 -23.206 1.00 0.00 H new ATOM 0 HA LYS A 70 11.693 -10.181 -22.196 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.579 -7.222 -22.874 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.246 -8.126 -22.184 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.922 -8.805 -20.292 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.948 -7.527 -20.911 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.055 -5.894 -20.668 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.035 -7.173 -20.040 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.574 -7.502 -18.124 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.670 -6.297 -18.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.256 -5.371 -17.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.925 -4.636 -18.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.863 -5.804 -17.934 1.00 0.00 H new ATOM 1084 N CYS A 71 9.848 -10.025 -24.057 1.00 0.00 N ATOM 1085 CA CYS A 71 9.013 -10.422 -25.179 1.00 0.00 C ATOM 1086 C CYS A 71 8.465 -9.244 -25.989 1.00 0.00 C ATOM 1087 O CYS A 71 7.574 -9.441 -26.815 1.00 0.00 O ATOM 1088 CB CYS A 71 7.878 -11.315 -24.676 1.00 0.00 C ATOM 1089 SG CYS A 71 8.571 -12.872 -24.069 1.00 0.00 S ATOM 0 H CYS A 71 9.365 -10.055 -23.159 1.00 0.00 H new ATOM 0 HA CYS A 71 9.648 -10.976 -25.870 1.00 0.00 H new ATOM 0 HB2 CYS A 71 7.329 -10.812 -23.880 1.00 0.00 H new ATOM 0 HB3 CYS A 71 7.168 -11.508 -25.480 1.00 0.00 H new ATOM 0 HG CYS A 71 7.611 -13.635 -23.638 1.00 0.00 H new ATOM 1095 N PHE A 72 8.961 -8.020 -25.785 1.00 0.00 N ATOM 1096 CA PHE A 72 8.410 -6.878 -26.508 1.00 0.00 C ATOM 1097 C PHE A 72 9.487 -5.791 -26.530 1.00 0.00 C ATOM 1098 O PHE A 72 10.518 -5.898 -25.863 1.00 0.00 O ATOM 1099 CB PHE A 72 7.169 -6.401 -25.750 1.00 0.00 C ATOM 1100 CG PHE A 72 7.414 -5.522 -24.550 1.00 0.00 C ATOM 1101 CD1 PHE A 72 8.024 -6.036 -23.396 1.00 0.00 C ATOM 1102 CD2 PHE A 72 7.005 -4.182 -24.594 1.00 0.00 C ATOM 1103 CE1 PHE A 72 8.227 -5.207 -22.286 1.00 0.00 C ATOM 1104 CE2 PHE A 72 7.203 -3.356 -23.479 1.00 0.00 C ATOM 1105 CZ PHE A 72 7.815 -3.868 -22.325 1.00 0.00 C ATOM 0 H PHE A 72 9.722 -7.800 -25.143 1.00 0.00 H new ATOM 0 HA PHE A 72 8.127 -7.129 -27.530 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.531 -5.858 -26.447 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.610 -7.278 -25.423 1.00 0.00 H new ATOM 0 HD1 PHE A 72 8.336 -7.069 -23.364 1.00 0.00 H new ATOM 0 HD2 PHE A 72 6.539 -3.787 -25.484 1.00 0.00 H new ATOM 0 HE1 PHE A 72 8.702 -5.600 -21.399 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.884 -2.325 -23.508 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.969 -3.230 -21.467 1.00 0.00 H new ATOM 1115 N GLY A 73 9.236 -4.739 -27.313 1.00 0.00 N ATOM 1116 CA GLY A 73 10.182 -3.658 -27.545 1.00 0.00 C ATOM 1117 C GLY A 73 9.492 -2.357 -27.962 1.00 0.00 C ATOM 1118 O GLY A 73 8.265 -2.255 -27.974 1.00 0.00 O ATOM 0 H GLY A 73 8.353 -4.618 -27.809 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.761 -3.484 -26.638 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.887 -3.957 -28.321 1.00 0.00 H new ATOM 1122 N PHE A 74 10.314 -1.363 -28.301 1.00 0.00 N ATOM 1123 CA PHE A 74 9.906 -0.010 -28.656 1.00 0.00 C ATOM 1124 C PHE A 74 10.660 0.610 -29.841 1.00 0.00 C ATOM 1125 O PHE A 74 11.851 0.352 -30.014 1.00 0.00 O ATOM 1126 CB PHE A 74 9.870 0.864 -27.400 1.00 0.00 C ATOM 1127 CG PHE A 74 10.120 2.337 -27.635 1.00 0.00 C ATOM 1128 CD1 PHE A 74 9.189 3.118 -28.330 1.00 0.00 C ATOM 1129 CD2 PHE A 74 11.306 2.916 -27.158 1.00 0.00 C ATOM 1130 CE1 PHE A 74 9.469 4.465 -28.602 1.00 0.00 C ATOM 1131 CE2 PHE A 74 11.592 4.256 -27.442 1.00 0.00 C ATOM 1132 CZ PHE A 74 10.676 5.029 -28.171 1.00 0.00 C ATOM 0 H PHE A 74 11.326 -1.488 -28.336 1.00 0.00 H new ATOM 0 HA PHE A 74 8.893 -0.073 -29.052 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.896 0.748 -26.924 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.615 0.493 -26.697 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.256 2.683 -28.657 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.997 2.328 -26.572 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.754 5.067 -29.143 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.518 4.695 -27.100 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.902 6.060 -28.400 1.00 0.00 H new ATOM 1142 N VAL A 75 9.969 1.423 -30.652 1.00 0.00 N ATOM 1143 CA VAL A 75 10.525 2.063 -31.845 1.00 0.00 C ATOM 1144 C VAL A 75 9.881 3.435 -32.056 1.00 0.00 C ATOM 1145 O VAL A 75 8.745 3.646 -31.636 1.00 0.00 O ATOM 1146 CB VAL A 75 10.302 1.166 -33.076 1.00 0.00 C ATOM 1147 CG1 VAL A 75 10.901 1.789 -34.338 1.00 0.00 C ATOM 1148 CG2 VAL A 75 10.930 -0.219 -32.900 1.00 0.00 C ATOM 0 H VAL A 75 8.989 1.657 -30.491 1.00 0.00 H new ATOM 0 HA VAL A 75 11.597 2.203 -31.706 1.00 0.00 H new ATOM 0 HB VAL A 75 9.221 1.069 -33.178 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.725 1.129 -35.188 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.431 2.755 -34.525 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.974 1.927 -34.202 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.748 -0.817 -33.793 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.004 -0.115 -32.746 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.486 -0.713 -32.036 1.00 0.00 H new ATOM 1158 N SER A 76 10.583 4.376 -32.703 1.00 0.00 N ATOM 1159 CA SER A 76 10.022 5.696 -32.979 1.00 0.00 C ATOM 1160 C SER A 76 10.531 6.299 -34.289 1.00 0.00 C ATOM 1161 O SER A 76 11.669 6.062 -34.692 1.00 0.00 O ATOM 1162 CB SER A 76 10.324 6.627 -31.804 1.00 0.00 C ATOM 1163 OG SER A 76 9.863 7.930 -32.088 1.00 0.00 O ATOM 0 H SER A 76 11.536 4.244 -33.042 1.00 0.00 H new ATOM 0 HA SER A 76 8.945 5.579 -33.098 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.844 6.252 -30.900 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.397 6.646 -31.611 1.00 0.00 H new ATOM 0 HG SER A 76 9.018 7.878 -32.581 1.00 0.00 H new ATOM 1169 N TYR A 77 9.667 7.087 -34.944 1.00 0.00 N ATOM 1170 CA TYR A 77 9.935 7.744 -36.222 1.00 0.00 C ATOM 1171 C TYR A 77 10.068 9.263 -36.141 1.00 0.00 C ATOM 1172 O TYR A 77 9.708 9.860 -35.131 1.00 0.00 O ATOM 1173 CB TYR A 77 8.859 7.364 -37.233 1.00 0.00 C ATOM 1174 CG TYR A 77 8.907 5.916 -37.645 1.00 0.00 C ATOM 1175 CD1 TYR A 77 9.696 5.523 -38.732 1.00 0.00 C ATOM 1176 CD2 TYR A 77 8.159 4.976 -36.925 1.00 0.00 C ATOM 1177 CE1 TYR A 77 9.745 4.173 -39.102 1.00 0.00 C ATOM 1178 CE2 TYR A 77 8.205 3.626 -37.287 1.00 0.00 C ATOM 1179 CZ TYR A 77 9.003 3.222 -38.376 1.00 0.00 C ATOM 1180 OH TYR A 77 9.057 1.908 -38.718 1.00 0.00 O ATOM 0 H TYR A 77 8.734 7.288 -34.584 1.00 0.00 H new ATOM 0 HA TYR A 77 10.912 7.383 -36.544 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.879 7.580 -36.807 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.967 7.990 -38.119 1.00 0.00 H new ATOM 0 HD1 TYR A 77 10.265 6.257 -39.283 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.548 5.293 -36.092 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.350 3.863 -39.941 1.00 0.00 H new ATOM 0 HE2 TYR A 77 7.632 2.896 -36.735 1.00 0.00 H new ATOM 0 HH TYR A 77 9.901 1.725 -39.181 1.00 0.00 H new ATOM 1190 N ASP A 78 10.579 9.898 -37.201 1.00 0.00 N ATOM 1191 CA ASP A 78 10.619 11.356 -37.270 1.00 0.00 C ATOM 1192 C ASP A 78 9.269 11.962 -37.658 1.00 0.00 C ATOM 1193 O ASP A 78 9.099 13.178 -37.604 1.00 0.00 O ATOM 1194 CB ASP A 78 11.732 11.855 -38.197 1.00 0.00 C ATOM 1195 CG ASP A 78 11.671 11.279 -39.607 1.00 0.00 C ATOM 1196 OD1 ASP A 78 10.768 10.456 -39.882 1.00 0.00 O ATOM 1197 OD2 ASP A 78 12.542 11.674 -40.413 1.00 0.00 O ATOM 0 H ASP A 78 10.968 9.425 -38.017 1.00 0.00 H new ATOM 0 HA ASP A 78 10.847 11.700 -36.261 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.680 12.942 -38.257 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.697 11.606 -37.756 1.00 0.00 H new ATOM 1202 N ASN A 79 8.311 11.117 -38.047 1.00 0.00 N ATOM 1203 CA ASN A 79 6.960 11.541 -38.374 1.00 0.00 C ATOM 1204 C ASN A 79 5.962 10.411 -38.136 1.00 0.00 C ATOM 1205 O ASN A 79 6.322 9.239 -38.251 1.00 0.00 O ATOM 1206 CB ASN A 79 6.889 12.071 -39.813 1.00 0.00 C ATOM 1207 CG ASN A 79 7.547 11.185 -40.870 1.00 0.00 C ATOM 1208 OD1 ASN A 79 7.698 9.889 -40.611 1.00 0.00 O flip ATOM 1209 ND2 ASN A 79 7.923 11.680 -41.929 1.00 0.00 N flip ATOM 0 H ASN A 79 8.459 10.112 -38.143 1.00 0.00 H new ATOM 0 HA ASN A 79 6.686 12.361 -37.710 1.00 0.00 H new ATOM 0 HB2 ASN A 79 5.841 12.209 -40.080 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.358 13.054 -39.844 1.00 0.00 H new ATOM 0 HD21 ASN A 79 7.794 12.677 -42.100 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.364 11.094 -42.638 1.00 0.00 H new ATOM 1216 N PRO A 80 4.706 10.744 -37.805 1.00 0.00 N ATOM 1217 CA PRO A 80 3.667 9.762 -37.539 1.00 0.00 C ATOM 1218 C PRO A 80 3.214 9.060 -38.818 1.00 0.00 C ATOM 1219 O PRO A 80 2.576 8.013 -38.742 1.00 0.00 O ATOM 1220 CB PRO A 80 2.531 10.568 -36.909 1.00 0.00 C ATOM 1221 CG PRO A 80 2.685 11.952 -37.536 1.00 0.00 C ATOM 1222 CD PRO A 80 4.201 12.098 -37.663 1.00 0.00 C ATOM 0 HA PRO A 80 4.017 8.963 -36.885 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.557 10.132 -37.133 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.621 10.607 -35.823 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.190 12.015 -38.505 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.255 12.731 -36.907 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.466 12.709 -38.526 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.624 12.585 -36.785 1.00 0.00 H new ATOM 1230 N VAL A 81 3.532 9.612 -39.992 1.00 0.00 N ATOM 1231 CA VAL A 81 3.133 9.005 -41.258 1.00 0.00 C ATOM 1232 C VAL A 81 3.798 7.644 -41.441 1.00 0.00 C ATOM 1233 O VAL A 81 3.142 6.666 -41.799 1.00 0.00 O ATOM 1234 CB VAL A 81 3.489 9.938 -42.423 1.00 0.00 C ATOM 1235 CG1 VAL A 81 2.950 9.375 -43.738 1.00 0.00 C ATOM 1236 CG2 VAL A 81 2.914 11.334 -42.183 1.00 0.00 C ATOM 0 H VAL A 81 4.064 10.477 -40.089 1.00 0.00 H new ATOM 0 HA VAL A 81 2.054 8.854 -41.244 1.00 0.00 H new ATOM 0 HB VAL A 81 4.575 10.009 -42.486 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.210 10.047 -44.555 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.389 8.394 -43.921 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.866 9.281 -43.676 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.175 11.984 -43.018 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.829 11.271 -42.098 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.327 11.744 -41.261 1.00 0.00 H new ATOM 1246 N SER A 82 5.105 7.587 -41.186 1.00 0.00 N ATOM 1247 CA SER A 82 5.861 6.344 -41.281 1.00 0.00 C ATOM 1248 C SER A 82 5.474 5.386 -40.158 1.00 0.00 C ATOM 1249 O SER A 82 5.632 4.174 -40.296 1.00 0.00 O ATOM 1250 CB SER A 82 7.351 6.649 -41.185 1.00 0.00 C ATOM 1251 OG SER A 82 7.753 7.471 -42.261 1.00 0.00 O ATOM 0 H SER A 82 5.663 8.395 -40.910 1.00 0.00 H new ATOM 0 HA SER A 82 5.633 5.874 -42.238 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.567 7.145 -40.239 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.921 5.720 -41.195 1.00 0.00 H new ATOM 0 HG SER A 82 7.815 8.401 -41.957 1.00 0.00 H new ATOM 1257 N ALA A 83 4.968 5.922 -39.041 1.00 0.00 N ATOM 1258 CA ALA A 83 4.608 5.093 -37.903 1.00 0.00 C ATOM 1259 C ALA A 83 3.345 4.289 -38.193 1.00 0.00 C ATOM 1260 O ALA A 83 3.312 3.086 -37.942 1.00 0.00 O ATOM 1261 CB ALA A 83 4.414 5.984 -36.676 1.00 0.00 C ATOM 0 H ALA A 83 4.802 6.920 -38.909 1.00 0.00 H new ATOM 0 HA ALA A 83 5.411 4.382 -37.709 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.144 5.368 -35.818 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.341 6.516 -36.463 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.619 6.704 -36.871 1.00 0.00 H new ATOM 1267 N GLN A 84 2.303 4.933 -38.726 1.00 0.00 N ATOM 1268 CA GLN A 84 1.051 4.238 -39.005 1.00 0.00 C ATOM 1269 C GLN A 84 1.239 3.210 -40.120 1.00 0.00 C ATOM 1270 O GLN A 84 0.549 2.193 -40.137 1.00 0.00 O ATOM 1271 CB GLN A 84 -0.036 5.250 -39.372 1.00 0.00 C ATOM 1272 CG GLN A 84 -0.266 6.262 -38.244 1.00 0.00 C ATOM 1273 CD GLN A 84 -0.553 5.588 -36.905 1.00 0.00 C ATOM 1274 OE1 GLN A 84 -1.245 4.576 -36.837 1.00 0.00 O ATOM 1275 NE2 GLN A 84 -0.018 6.153 -35.827 1.00 0.00 N ATOM 0 H GLN A 84 2.304 5.924 -38.969 1.00 0.00 H new ATOM 0 HA GLN A 84 0.739 3.702 -38.108 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.249 5.777 -40.283 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.967 4.724 -39.586 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.614 6.898 -38.146 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.101 6.911 -38.507 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.552 6.994 -35.921 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.177 5.746 -34.906 1.00 0.00 H new ATOM 1284 N ALA A 85 2.171 3.462 -41.047 1.00 0.00 N ATOM 1285 CA ALA A 85 2.475 2.494 -42.085 1.00 0.00 C ATOM 1286 C ALA A 85 3.150 1.269 -41.479 1.00 0.00 C ATOM 1287 O ALA A 85 2.843 0.137 -41.851 1.00 0.00 O ATOM 1288 CB ALA A 85 3.409 3.122 -43.117 1.00 0.00 C ATOM 0 H ALA A 85 2.718 4.322 -41.092 1.00 0.00 H new ATOM 0 HA ALA A 85 1.545 2.192 -42.566 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.635 2.392 -43.895 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.926 3.991 -43.564 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.334 3.432 -42.630 1.00 0.00 H new ATOM 1294 N ALA A 86 4.070 1.491 -40.536 1.00 0.00 N ATOM 1295 CA ALA A 86 4.804 0.408 -39.915 1.00 0.00 C ATOM 1296 C ALA A 86 3.906 -0.463 -39.033 1.00 0.00 C ATOM 1297 O ALA A 86 4.206 -1.640 -38.837 1.00 0.00 O ATOM 1298 CB ALA A 86 5.948 1.007 -39.099 1.00 0.00 C ATOM 0 H ALA A 86 4.318 2.418 -40.191 1.00 0.00 H new ATOM 0 HA ALA A 86 5.198 -0.245 -40.694 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.513 0.206 -38.623 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.606 1.574 -39.757 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.542 1.669 -38.334 1.00 0.00 H new ATOM 1304 N ILE A 87 2.809 0.086 -38.494 1.00 0.00 N ATOM 1305 CA ILE A 87 1.868 -0.729 -37.740 1.00 0.00 C ATOM 1306 C ILE A 87 1.217 -1.726 -38.689 1.00 0.00 C ATOM 1307 O ILE A 87 1.221 -2.923 -38.425 1.00 0.00 O ATOM 1308 CB ILE A 87 0.798 0.134 -37.058 1.00 0.00 C ATOM 1309 CG1 ILE A 87 1.436 1.031 -35.988 1.00 0.00 C ATOM 1310 CG2 ILE A 87 -0.261 -0.779 -36.432 1.00 0.00 C ATOM 1311 CD1 ILE A 87 0.399 1.746 -35.115 1.00 0.00 C ATOM 0 H ILE A 87 2.561 1.073 -38.568 1.00 0.00 H new ATOM 0 HA ILE A 87 2.408 -1.257 -36.954 1.00 0.00 H new ATOM 0 HB ILE A 87 0.325 0.778 -37.800 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.084 0.426 -35.353 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.069 1.774 -36.474 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.024 -0.171 -35.946 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.723 -1.387 -37.210 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.209 -1.429 -35.694 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.909 2.365 -34.377 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.233 2.375 -35.742 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.218 1.007 -34.604 1.00 0.00 H new ATOM 1323 N GLN A 88 0.660 -1.232 -39.795 1.00 0.00 N ATOM 1324 CA GLN A 88 -0.005 -2.083 -40.766 1.00 0.00 C ATOM 1325 C GLN A 88 0.995 -3.014 -41.461 1.00 0.00 C ATOM 1326 O GLN A 88 0.584 -3.950 -42.148 1.00 0.00 O ATOM 1327 CB GLN A 88 -0.728 -1.204 -41.789 1.00 0.00 C ATOM 1328 CG GLN A 88 -1.801 -0.352 -41.105 1.00 0.00 C ATOM 1329 CD GLN A 88 -2.516 0.570 -42.089 1.00 0.00 C ATOM 1330 OE1 GLN A 88 -2.233 0.573 -43.284 1.00 0.00 O ATOM 1331 NE2 GLN A 88 -3.458 1.366 -41.589 1.00 0.00 N ATOM 0 H GLN A 88 0.660 -0.241 -40.036 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.731 -2.712 -40.250 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.010 -0.558 -42.293 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.186 -1.830 -42.555 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.530 -1.005 -40.625 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.341 0.245 -40.318 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.671 1.341 -40.592 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.967 2.001 -42.203 1.00 0.00 H new ATOM 1340 N ALA A 89 2.295 -2.764 -41.292 1.00 0.00 N ATOM 1341 CA ALA A 89 3.330 -3.559 -41.924 1.00 0.00 C ATOM 1342 C ALA A 89 3.765 -4.753 -41.072 1.00 0.00 C ATOM 1343 O ALA A 89 4.145 -5.780 -41.635 1.00 0.00 O ATOM 1344 CB ALA A 89 4.526 -2.649 -42.198 1.00 0.00 C ATOM 0 H ALA A 89 2.651 -2.004 -40.712 1.00 0.00 H new ATOM 0 HA ALA A 89 2.928 -3.972 -42.849 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.320 -3.225 -42.674 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.221 -1.836 -42.858 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.892 -2.236 -41.258 1.00 0.00 H new ATOM 1350 N MET A 90 3.722 -4.641 -39.736 1.00 0.00 N ATOM 1351 CA MET A 90 4.170 -5.731 -38.871 1.00 0.00 C ATOM 1352 C MET A 90 3.141 -6.213 -37.853 1.00 0.00 C ATOM 1353 O MET A 90 3.362 -7.234 -37.202 1.00 0.00 O ATOM 1354 CB MET A 90 5.496 -5.374 -38.201 1.00 0.00 C ATOM 1355 CG MET A 90 6.618 -5.423 -39.237 1.00 0.00 C ATOM 1356 SD MET A 90 8.291 -5.527 -38.552 1.00 0.00 S ATOM 1357 CE MET A 90 8.178 -7.135 -37.723 1.00 0.00 C ATOM 0 H MET A 90 3.385 -3.816 -39.240 1.00 0.00 H new ATOM 0 HA MET A 90 4.316 -6.585 -39.533 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.437 -4.379 -37.760 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.705 -6.071 -37.389 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.454 -6.282 -39.887 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.553 -4.533 -39.863 1.00 0.00 H new ATOM 0 HE1 MET A 90 9.174 -7.569 -37.634 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.749 -7.003 -36.730 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.543 -7.801 -38.307 1.00 0.00 H new ATOM 1367 N ASN A 91 2.017 -5.511 -37.699 1.00 0.00 N ATOM 1368 CA ASN A 91 0.934 -6.012 -36.869 1.00 0.00 C ATOM 1369 C ASN A 91 0.414 -7.298 -37.510 1.00 0.00 C ATOM 1370 O ASN A 91 0.094 -7.318 -38.698 1.00 0.00 O ATOM 1371 CB ASN A 91 -0.166 -4.956 -36.768 1.00 0.00 C ATOM 1372 CG ASN A 91 -1.215 -5.312 -35.728 1.00 0.00 C ATOM 1373 OD1 ASN A 91 -1.035 -6.224 -34.926 1.00 0.00 O ATOM 1374 ND2 ASN A 91 -2.328 -4.589 -35.734 1.00 0.00 N ATOM 0 H ASN A 91 1.839 -4.606 -38.134 1.00 0.00 H new ATOM 0 HA ASN A 91 1.279 -6.225 -35.857 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.280 -3.994 -36.516 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.646 -4.841 -37.740 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.067 -4.784 -35.058 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.445 -3.838 -36.415 1.00 0.00 H new ATOM 1381 N GLY A 92 0.329 -8.375 -36.725 1.00 0.00 N ATOM 1382 CA GLY A 92 -0.112 -9.670 -37.216 1.00 0.00 C ATOM 1383 C GLY A 92 1.008 -10.448 -37.914 1.00 0.00 C ATOM 1384 O GLY A 92 0.755 -11.522 -38.453 1.00 0.00 O ATOM 0 H GLY A 92 0.565 -8.367 -35.733 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.494 -10.260 -36.383 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.939 -9.528 -37.912 1.00 0.00 H new ATOM 1388 N PHE A 93 2.242 -9.929 -37.912 1.00 0.00 N ATOM 1389 CA PHE A 93 3.363 -10.615 -38.535 1.00 0.00 C ATOM 1390 C PHE A 93 3.633 -11.957 -37.864 1.00 0.00 C ATOM 1391 O PHE A 93 3.916 -11.997 -36.667 1.00 0.00 O ATOM 1392 CB PHE A 93 4.601 -9.716 -38.537 1.00 0.00 C ATOM 1393 CG PHE A 93 5.862 -10.370 -39.052 1.00 0.00 C ATOM 1394 CD1 PHE A 93 6.231 -10.193 -40.394 1.00 0.00 C ATOM 1395 CD2 PHE A 93 6.671 -11.138 -38.200 1.00 0.00 C ATOM 1396 CE1 PHE A 93 7.411 -10.771 -40.883 1.00 0.00 C ATOM 1397 CE2 PHE A 93 7.853 -11.717 -38.690 1.00 0.00 C ATOM 1398 CZ PHE A 93 8.221 -11.532 -40.031 1.00 0.00 C ATOM 0 H PHE A 93 2.482 -9.035 -37.483 1.00 0.00 H new ATOM 0 HA PHE A 93 3.105 -10.829 -39.572 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.392 -8.836 -39.145 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.780 -9.366 -37.520 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.604 -9.610 -41.052 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.385 -11.284 -37.169 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.695 -10.630 -41.915 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.479 -12.305 -38.034 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.130 -11.977 -40.407 1.00 0.00 H new ATOM 1408 N GLN A 94 3.552 -13.061 -38.608 1.00 0.00 N ATOM 1409 CA GLN A 94 3.741 -14.371 -38.010 1.00 0.00 C ATOM 1410 C GLN A 94 5.212 -14.652 -37.734 1.00 0.00 C ATOM 1411 O GLN A 94 6.064 -14.489 -38.608 1.00 0.00 O ATOM 1412 CB GLN A 94 3.133 -15.461 -38.893 1.00 0.00 C ATOM 1413 CG GLN A 94 3.353 -16.830 -38.248 1.00 0.00 C ATOM 1414 CD GLN A 94 2.587 -17.944 -38.952 1.00 0.00 C ATOM 1415 OE1 GLN A 94 1.899 -17.717 -39.944 1.00 0.00 O ATOM 1416 NE2 GLN A 94 2.709 -19.167 -38.439 1.00 0.00 N ATOM 0 H GLN A 94 3.360 -13.070 -39.610 1.00 0.00 H new ATOM 0 HA GLN A 94 3.221 -14.376 -37.052 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.067 -15.280 -39.029 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.589 -15.437 -39.883 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.417 -17.065 -38.258 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.046 -16.788 -37.203 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.289 -19.318 -37.614 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.222 -19.952 -38.871 1.00 0.00 H new ATOM 1425 N ILE A 95 5.499 -15.076 -36.505 1.00 0.00 N ATOM 1426 CA ILE A 95 6.828 -15.484 -36.091 1.00 0.00 C ATOM 1427 C ILE A 95 6.667 -16.634 -35.102 1.00 0.00 C ATOM 1428 O ILE A 95 6.004 -16.494 -34.075 1.00 0.00 O ATOM 1429 CB ILE A 95 7.569 -14.268 -35.520 1.00 0.00 C ATOM 1430 CG1 ILE A 95 9.030 -14.621 -35.241 1.00 0.00 C ATOM 1431 CG2 ILE A 95 6.904 -13.732 -34.250 1.00 0.00 C ATOM 1432 CD1 ILE A 95 9.852 -13.354 -35.002 1.00 0.00 C ATOM 0 H ILE A 95 4.802 -15.145 -35.764 1.00 0.00 H new ATOM 0 HA ILE A 95 7.436 -15.845 -36.921 1.00 0.00 H new ATOM 0 HB ILE A 95 7.524 -13.479 -36.270 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.093 -15.272 -34.369 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.443 -15.176 -36.083 1.00 0.00 H new ATOM 0 HG21 ILE A 95 7.463 -12.872 -33.882 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.881 -13.431 -34.474 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.894 -14.511 -33.488 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.889 -13.625 -34.805 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.805 -12.718 -35.886 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.449 -12.815 -34.145 1.00 0.00 H new ATOM 1444 N GLY A 96 7.268 -17.785 -35.401 1.00 0.00 N ATOM 1445 CA GLY A 96 7.056 -18.967 -34.585 1.00 0.00 C ATOM 1446 C GLY A 96 5.578 -19.353 -34.598 1.00 0.00 C ATOM 1447 O GLY A 96 4.899 -19.212 -35.618 1.00 0.00 O ATOM 0 H GLY A 96 7.897 -17.918 -36.193 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.659 -19.793 -34.963 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.381 -18.776 -33.562 1.00 0.00 H new ATOM 1451 N MET A 97 5.077 -19.838 -33.459 1.00 0.00 N ATOM 1452 CA MET A 97 3.697 -20.281 -33.310 1.00 0.00 C ATOM 1453 C MET A 97 2.746 -19.141 -32.922 1.00 0.00 C ATOM 1454 O MET A 97 1.635 -19.403 -32.461 1.00 0.00 O ATOM 1455 CB MET A 97 3.622 -21.430 -32.294 1.00 0.00 C ATOM 1456 CG MET A 97 4.419 -22.653 -32.758 1.00 0.00 C ATOM 1457 SD MET A 97 6.224 -22.529 -32.617 1.00 0.00 S ATOM 1458 CE MET A 97 6.388 -22.440 -30.817 1.00 0.00 C ATOM 0 H MET A 97 5.629 -19.933 -32.606 1.00 0.00 H new ATOM 0 HA MET A 97 3.363 -20.639 -34.284 1.00 0.00 H new ATOM 0 HB2 MET A 97 4.005 -21.090 -31.332 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.580 -21.712 -32.140 1.00 0.00 H new ATOM 0 HG2 MET A 97 4.088 -23.517 -32.182 1.00 0.00 H new ATOM 0 HG3 MET A 97 4.169 -22.850 -33.800 1.00 0.00 H new ATOM 0 HE1 MET A 97 7.413 -22.679 -30.533 1.00 0.00 H new ATOM 0 HE2 MET A 97 6.143 -21.433 -30.479 1.00 0.00 H new ATOM 0 HE3 MET A 97 5.707 -23.154 -30.354 1.00 0.00 H new ATOM 1468 N LYS A 98 3.162 -17.879 -33.093 1.00 0.00 N ATOM 1469 CA LYS A 98 2.347 -16.729 -32.706 1.00 0.00 C ATOM 1470 C LYS A 98 2.556 -15.582 -33.699 1.00 0.00 C ATOM 1471 O LYS A 98 3.417 -15.661 -34.574 1.00 0.00 O ATOM 1472 CB LYS A 98 2.716 -16.336 -31.270 1.00 0.00 C ATOM 1473 CG LYS A 98 1.624 -15.500 -30.594 1.00 0.00 C ATOM 1474 CD LYS A 98 1.950 -15.333 -29.108 1.00 0.00 C ATOM 1475 CE LYS A 98 0.865 -14.544 -28.369 1.00 0.00 C ATOM 1476 NZ LYS A 98 -0.428 -15.248 -28.388 1.00 0.00 N ATOM 0 H LYS A 98 4.064 -17.632 -33.500 1.00 0.00 H new ATOM 0 HA LYS A 98 1.286 -16.977 -32.732 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.895 -17.238 -30.684 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.649 -15.772 -31.279 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.551 -14.523 -31.073 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.655 -15.986 -30.712 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.061 -16.315 -28.648 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.907 -14.821 -29.002 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.174 -14.379 -27.337 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.752 -13.562 -28.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.085 -14.785 -27.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.824 -15.220 -29.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.289 -16.238 -28.100 1.00 0.00 H new ATOM 1490 N ARG A 99 1.767 -14.509 -33.571 1.00 0.00 N ATOM 1491 CA ARG A 99 1.887 -13.326 -34.413 1.00 0.00 C ATOM 1492 C ARG A 99 2.246 -12.108 -33.569 1.00 0.00 C ATOM 1493 O ARG A 99 1.783 -11.983 -32.438 1.00 0.00 O ATOM 1494 CB ARG A 99 0.583 -13.093 -35.181 1.00 0.00 C ATOM 1495 CG ARG A 99 0.299 -14.239 -36.150 1.00 0.00 C ATOM 1496 CD ARG A 99 -1.013 -13.979 -36.891 1.00 0.00 C ATOM 1497 NE ARG A 99 -1.278 -15.030 -37.884 1.00 0.00 N ATOM 1498 CZ ARG A 99 -0.940 -14.952 -39.175 1.00 0.00 C ATOM 1499 NH1 ARG A 99 -0.306 -13.883 -39.650 1.00 0.00 N ATOM 1500 NH2 ARG A 99 -1.236 -15.953 -40.000 1.00 0.00 N ATOM 0 H ARG A 99 1.025 -14.442 -32.875 1.00 0.00 H new ATOM 0 HA ARG A 99 2.688 -13.485 -35.135 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.244 -12.995 -34.477 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.645 -12.155 -35.732 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.117 -14.335 -36.864 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.239 -15.181 -35.605 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -1.835 -13.934 -36.176 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.968 -13.009 -37.387 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.752 -15.876 -37.567 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.072 -13.110 -39.027 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.054 -13.836 -40.637 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.720 -16.778 -39.647 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -0.979 -15.895 -40.985 1.00 0.00 H new ATOM 1514 N LEU A 100 3.070 -11.210 -34.113 1.00 0.00 N ATOM 1515 CA LEU A 100 3.465 -9.985 -33.429 1.00 0.00 C ATOM 1516 C LEU A 100 2.282 -9.034 -33.276 1.00 0.00 C ATOM 1517 O LEU A 100 1.546 -8.790 -34.234 1.00 0.00 O ATOM 1518 CB LEU A 100 4.585 -9.281 -34.196 1.00 0.00 C ATOM 1519 CG LEU A 100 5.865 -10.118 -34.291 1.00 0.00 C ATOM 1520 CD1 LEU A 100 6.921 -9.327 -35.056 1.00 0.00 C ATOM 1521 CD2 LEU A 100 6.401 -10.439 -32.899 1.00 0.00 C ATOM 0 H LEU A 100 3.480 -11.315 -35.041 1.00 0.00 H new ATOM 0 HA LEU A 100 3.823 -10.262 -32.437 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.236 -9.045 -35.201 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.813 -8.334 -33.707 1.00 0.00 H new ATOM 0 HG LEU A 100 5.638 -11.051 -34.807 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.835 -9.916 -35.128 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.553 -9.103 -36.058 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.130 -8.396 -34.530 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.310 -11.034 -32.987 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.624 -9.511 -32.372 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.652 -11.002 -32.342 1.00 0.00 H new ATOM 1533 N LYS A 101 2.104 -8.488 -32.067 1.00 0.00 N ATOM 1534 CA LYS A 101 1.152 -7.416 -31.829 1.00 0.00 C ATOM 1535 C LYS A 101 1.896 -6.092 -31.977 1.00 0.00 C ATOM 1536 O LYS A 101 3.012 -5.963 -31.473 1.00 0.00 O ATOM 1537 CB LYS A 101 0.549 -7.573 -30.430 1.00 0.00 C ATOM 1538 CG LYS A 101 -0.520 -6.517 -30.139 1.00 0.00 C ATOM 1539 CD LYS A 101 -0.789 -6.407 -28.636 1.00 0.00 C ATOM 1540 CE LYS A 101 -1.090 -7.757 -27.987 1.00 0.00 C ATOM 1541 NZ LYS A 101 -2.407 -8.285 -28.403 1.00 0.00 N ATOM 0 H LYS A 101 2.617 -8.781 -31.235 1.00 0.00 H new ATOM 0 HA LYS A 101 0.331 -7.446 -32.545 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.111 -8.567 -30.334 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.341 -7.501 -29.685 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.196 -5.551 -30.526 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.442 -6.775 -30.659 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.077 -5.960 -28.148 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.630 -5.734 -28.471 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.311 -8.471 -28.255 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.067 -7.652 -26.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.575 -9.202 -27.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.153 -7.616 -28.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.421 -8.409 -29.435 1.00 0.00 H new ATOM 1555 N VAL A 102 1.294 -5.111 -32.655 1.00 0.00 N ATOM 1556 CA VAL A 102 1.896 -3.791 -32.814 1.00 0.00 C ATOM 1557 C VAL A 102 0.839 -2.726 -32.548 1.00 0.00 C ATOM 1558 O VAL A 102 -0.312 -2.886 -32.953 1.00 0.00 O ATOM 1559 CB VAL A 102 2.502 -3.652 -34.214 1.00 0.00 C ATOM 1560 CG1 VAL A 102 3.082 -2.256 -34.438 1.00 0.00 C ATOM 1561 CG2 VAL A 102 3.612 -4.682 -34.430 1.00 0.00 C ATOM 0 H VAL A 102 0.384 -5.211 -33.104 1.00 0.00 H new ATOM 0 HA VAL A 102 2.705 -3.660 -32.096 1.00 0.00 H new ATOM 0 HB VAL A 102 1.695 -3.822 -34.926 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.503 -2.194 -35.441 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.293 -1.512 -34.329 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.864 -2.065 -33.704 1.00 0.00 H new ATOM 0 HG21 VAL A 102 4.028 -4.565 -35.431 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.398 -4.530 -33.690 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.202 -5.686 -34.323 1.00 0.00 H new ATOM 1571 N GLN A 103 1.217 -1.639 -31.870 1.00 0.00 N ATOM 1572 CA GLN A 103 0.265 -0.607 -31.490 1.00 0.00 C ATOM 1573 C GLN A 103 0.954 0.743 -31.300 1.00 0.00 C ATOM 1574 O GLN A 103 2.175 0.811 -31.180 1.00 0.00 O ATOM 1575 CB GLN A 103 -0.416 -1.067 -30.199 1.00 0.00 C ATOM 1576 CG GLN A 103 -1.575 -0.164 -29.774 1.00 0.00 C ATOM 1577 CD GLN A 103 -2.644 -0.039 -30.857 1.00 0.00 C ATOM 1578 OE1 GLN A 103 -3.181 1.043 -31.078 1.00 0.00 O ATOM 1579 NE2 GLN A 103 -2.965 -1.135 -31.538 1.00 0.00 N ATOM 0 H GLN A 103 2.176 -1.456 -31.576 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.473 -0.466 -32.280 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.786 -2.083 -30.333 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.323 -1.100 -29.398 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -2.027 -0.562 -28.865 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.190 0.826 -29.531 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.500 -2.019 -31.330 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.676 -1.092 -32.268 1.00 0.00 H new ATOM 1588 N LEU A 104 0.168 1.822 -31.269 1.00 0.00 N ATOM 1589 CA LEU A 104 0.654 3.168 -30.996 1.00 0.00 C ATOM 1590 C LEU A 104 1.010 3.311 -29.512 1.00 0.00 C ATOM 1591 O LEU A 104 0.453 2.615 -28.663 1.00 0.00 O ATOM 1592 CB LEU A 104 -0.452 4.157 -31.385 1.00 0.00 C ATOM 1593 CG LEU A 104 0.053 5.337 -32.218 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -1.148 6.134 -32.720 1.00 0.00 C ATOM 1595 CD2 LEU A 104 0.942 6.273 -31.405 1.00 0.00 C ATOM 0 H LEU A 104 -0.837 1.780 -31.436 1.00 0.00 H new ATOM 0 HA LEU A 104 1.555 3.372 -31.574 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.221 3.628 -31.947 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.924 4.537 -30.479 1.00 0.00 H new ATOM 0 HG LEU A 104 0.642 4.935 -33.043 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.801 6.978 -33.316 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.780 5.492 -33.334 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.722 6.501 -31.869 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.277 7.096 -32.036 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.377 6.670 -30.561 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.808 5.723 -31.036 1.00 0.00 H new ATOM 1607 N LYS A 105 1.934 4.220 -29.192 1.00 0.00 N ATOM 1608 CA LYS A 105 2.287 4.552 -27.820 1.00 0.00 C ATOM 1609 C LYS A 105 1.070 5.154 -27.107 1.00 0.00 C ATOM 1610 O LYS A 105 0.212 5.753 -27.751 1.00 0.00 O ATOM 1611 CB LYS A 105 3.460 5.542 -27.852 1.00 0.00 C ATOM 1612 CG LYS A 105 3.900 6.014 -26.465 1.00 0.00 C ATOM 1613 CD LYS A 105 5.016 7.050 -26.621 1.00 0.00 C ATOM 1614 CE LYS A 105 5.507 7.527 -25.254 1.00 0.00 C ATOM 1615 NZ LYS A 105 6.477 8.624 -25.404 1.00 0.00 N ATOM 0 H LYS A 105 2.460 4.748 -29.888 1.00 0.00 H new ATOM 0 HA LYS A 105 2.587 3.660 -27.270 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.307 5.073 -28.353 1.00 0.00 H new ATOM 0 HB3 LYS A 105 3.177 6.409 -28.449 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.056 6.448 -25.930 1.00 0.00 H new ATOM 0 HG3 LYS A 105 4.251 5.168 -25.874 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.846 6.617 -27.180 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.652 7.900 -27.199 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.661 7.863 -24.655 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.968 6.698 -24.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 7.032 8.719 -24.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.116 8.417 -26.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.970 9.513 -25.591 1.00 0.00 H new