USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 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 Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -65:sc= 1.1 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 51:sc= -0.0689 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN :FLIP amide:sc= -1.33 F(o=-1.9,f=-1.3) USER MOD Single : A 52 SER OG : rot -96:sc= 0.00562 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 58 LYS NZ :NH3+ 170:sc= -0.018 (180deg=-0.151) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -28:sc= 0.408 USER MOD Single : A 68 GLN : amide:sc= -0.0406 X(o=-0.041,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.927 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -140:sc= 1.25 (180deg=-0.0653) USER MOD Single : A 84 GLN : amide:sc= -0.0803 X(o=-0.08,f=-0.57) USER MOD Single : A 86 THR OG1 : rot 165:sc= -3.65! USER MOD Single : A 89 GLN : amide:sc= -0.189 K(o=-0.19,f=-2.8!) USER MOD Single : A 90 HIS :FLIP no HE2:sc= -0.89 F(o=-1.9,f=-0.89) USER MOD Single : A 93 HIS : no HD1:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -0.0685 X(o=-0.068,f=0) USER MOD ----------------------------------------------------------------- ATOM 380 N LYS A 31 6.350 -5.175 -10.326 1.00 0.00 N ATOM 381 CA LYS A 31 6.960 -4.400 -9.215 1.00 0.00 C ATOM 382 C LYS A 31 6.379 -2.994 -9.291 1.00 0.00 C ATOM 383 O LYS A 31 7.056 -2.043 -9.627 1.00 0.00 O ATOM 384 CB LYS A 31 8.463 -4.392 -9.501 1.00 0.00 C ATOM 385 CG LYS A 31 9.234 -4.597 -8.195 1.00 0.00 C ATOM 386 CD LYS A 31 10.425 -5.526 -8.443 1.00 0.00 C ATOM 387 CE LYS A 31 9.917 -6.935 -8.759 1.00 0.00 C ATOM 388 NZ LYS A 31 9.992 -7.669 -7.466 1.00 0.00 N ATOM 0 HA LYS A 31 6.768 -4.810 -8.223 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.713 -5.181 -10.210 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.751 -3.447 -9.961 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.582 -3.638 -7.812 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.578 -5.024 -7.437 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.026 -5.151 -9.271 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.071 -5.549 -7.565 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.896 -6.910 -9.141 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.531 -7.414 -9.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.660 -8.645 -7.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.976 -7.682 -7.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.392 -7.194 -6.762 1.00 0.00 H new ATOM 402 N ILE A 32 5.106 -2.870 -9.030 1.00 0.00 N ATOM 403 CA ILE A 32 4.449 -1.546 -9.141 1.00 0.00 C ATOM 404 C ILE A 32 5.127 -0.529 -8.214 1.00 0.00 C ATOM 405 O ILE A 32 4.864 -0.490 -7.028 1.00 0.00 O ATOM 406 CB ILE A 32 2.995 -1.785 -8.716 1.00 0.00 C ATOM 407 CG1 ILE A 32 2.290 -2.637 -9.778 1.00 0.00 C ATOM 408 CG2 ILE A 32 2.268 -0.443 -8.579 1.00 0.00 C ATOM 409 CD1 ILE A 32 1.946 -4.005 -9.189 1.00 0.00 C ATOM 0 H ILE A 32 4.494 -3.634 -8.744 1.00 0.00 H new ATOM 0 HA ILE A 32 4.515 -1.139 -10.150 1.00 0.00 H new ATOM 0 HB ILE A 32 2.980 -2.303 -7.757 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.383 -2.137 -10.117 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.933 -2.756 -10.650 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.235 -0.618 -8.277 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.768 0.167 -7.826 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.283 0.078 -9.536 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.445 -4.611 -9.944 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.861 -4.505 -8.872 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.286 -3.876 -8.331 1.00 0.00 H new ATOM 421 N ILE A 33 5.994 0.298 -8.742 1.00 0.00 N ATOM 422 CA ILE A 33 6.677 1.309 -7.880 1.00 0.00 C ATOM 423 C ILE A 33 5.733 2.489 -7.619 1.00 0.00 C ATOM 424 O ILE A 33 4.867 2.791 -8.420 1.00 0.00 O ATOM 425 CB ILE A 33 7.929 1.742 -8.655 1.00 0.00 C ATOM 426 CG1 ILE A 33 7.532 2.632 -9.845 1.00 0.00 C ATOM 427 CG2 ILE A 33 8.668 0.493 -9.156 1.00 0.00 C ATOM 428 CD1 ILE A 33 8.715 2.784 -10.803 1.00 0.00 C ATOM 0 H ILE A 33 6.257 0.317 -9.727 1.00 0.00 H new ATOM 0 HA ILE A 33 6.952 0.908 -6.904 1.00 0.00 H new ATOM 0 HB ILE A 33 8.584 2.313 -7.997 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.683 2.194 -10.370 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.215 3.612 -9.487 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.559 0.794 -9.708 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.959 -0.123 -8.305 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.012 -0.080 -9.811 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.425 3.416 -11.642 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.553 3.242 -10.277 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.012 1.803 -11.173 1.00 0.00 H new ATOM 440 N LYS A 34 5.879 3.142 -6.496 1.00 0.00 N ATOM 441 CA LYS A 34 4.976 4.287 -6.173 1.00 0.00 C ATOM 442 C LYS A 34 5.603 5.618 -6.602 1.00 0.00 C ATOM 443 O LYS A 34 6.799 5.811 -6.516 1.00 0.00 O ATOM 444 CB LYS A 34 4.812 4.241 -4.653 1.00 0.00 C ATOM 445 CG LYS A 34 4.163 2.918 -4.247 1.00 0.00 C ATOM 446 CD LYS A 34 4.383 2.677 -2.752 1.00 0.00 C ATOM 447 CE LYS A 34 5.809 2.176 -2.518 1.00 0.00 C ATOM 448 NZ LYS A 34 5.716 0.691 -2.608 1.00 0.00 N ATOM 0 H LYS A 34 6.584 2.933 -5.789 1.00 0.00 H new ATOM 0 HA LYS A 34 4.023 4.212 -6.696 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.783 4.345 -4.169 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.198 5.077 -4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.096 2.941 -4.469 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.591 2.099 -4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.215 3.599 -2.196 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.664 1.946 -2.381 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.495 2.574 -3.266 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.183 2.490 -1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.657 0.274 -2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.062 0.339 -1.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.364 0.422 -3.549 1.00 0.00 H new ATOM 462 N VAL A 35 4.793 6.540 -7.053 1.00 0.00 N ATOM 463 CA VAL A 35 5.325 7.867 -7.481 1.00 0.00 C ATOM 464 C VAL A 35 4.401 8.985 -6.981 1.00 0.00 C ATOM 465 O VAL A 35 3.262 9.093 -7.394 1.00 0.00 O ATOM 466 CB VAL A 35 5.349 7.817 -9.013 1.00 0.00 C ATOM 467 CG1 VAL A 35 3.934 7.569 -9.550 1.00 0.00 C ATOM 468 CG2 VAL A 35 5.880 9.146 -9.561 1.00 0.00 C ATOM 0 H VAL A 35 3.783 6.430 -7.143 1.00 0.00 H new ATOM 0 HA VAL A 35 6.316 8.070 -7.075 1.00 0.00 H new ATOM 0 HB VAL A 35 6.001 7.004 -9.334 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.959 7.535 -10.639 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.560 6.620 -9.166 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.276 8.376 -9.227 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.897 9.110 -10.650 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.231 9.959 -9.235 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.890 9.316 -9.188 1.00 0.00 H new ATOM 478 N THR A 36 4.880 9.808 -6.089 1.00 0.00 N ATOM 479 CA THR A 36 4.029 10.913 -5.554 1.00 0.00 C ATOM 480 C THR A 36 4.107 12.141 -6.463 1.00 0.00 C ATOM 481 O THR A 36 5.134 12.783 -6.569 1.00 0.00 O ATOM 482 CB THR A 36 4.610 11.226 -4.174 1.00 0.00 C ATOM 483 OG1 THR A 36 4.936 10.012 -3.511 1.00 0.00 O ATOM 484 CG2 THR A 36 3.580 11.999 -3.347 1.00 0.00 C ATOM 0 H THR A 36 5.824 9.764 -5.706 1.00 0.00 H new ATOM 0 HA THR A 36 2.977 10.632 -5.501 1.00 0.00 H new ATOM 0 HB THR A 36 5.509 11.831 -4.288 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.116 9.505 -3.335 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.995 12.221 -2.364 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.331 12.931 -3.855 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.679 11.396 -3.232 1.00 0.00 H new ATOM 492 N VAL A 37 3.023 12.476 -7.115 1.00 0.00 N ATOM 493 CA VAL A 37 3.029 13.666 -8.014 1.00 0.00 C ATOM 494 C VAL A 37 2.367 14.854 -7.312 1.00 0.00 C ATOM 495 O VAL A 37 1.264 14.753 -6.810 1.00 0.00 O ATOM 496 CB VAL A 37 2.217 13.245 -9.240 1.00 0.00 C ATOM 497 CG1 VAL A 37 2.189 14.391 -10.255 1.00 0.00 C ATOM 498 CG2 VAL A 37 2.861 12.014 -9.884 1.00 0.00 C ATOM 0 H VAL A 37 2.135 11.976 -7.063 1.00 0.00 H new ATOM 0 HA VAL A 37 4.038 13.976 -8.285 1.00 0.00 H new ATOM 0 HB VAL A 37 1.199 13.005 -8.932 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.610 14.090 -11.128 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.730 15.269 -9.800 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.207 14.632 -10.560 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.281 11.715 -10.757 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.880 12.254 -10.189 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.881 11.195 -9.164 1.00 0.00 H new ATOM 508 N LYS A 38 3.029 15.979 -7.271 1.00 0.00 N ATOM 509 CA LYS A 38 2.436 17.173 -6.602 1.00 0.00 C ATOM 510 C LYS A 38 1.874 18.137 -7.649 1.00 0.00 C ATOM 511 O LYS A 38 2.579 18.592 -8.527 1.00 0.00 O ATOM 512 CB LYS A 38 3.595 17.822 -5.839 1.00 0.00 C ATOM 513 CG LYS A 38 3.276 17.854 -4.343 1.00 0.00 C ATOM 514 CD LYS A 38 2.502 19.131 -4.010 1.00 0.00 C ATOM 515 CE LYS A 38 2.017 19.072 -2.560 1.00 0.00 C ATOM 516 NZ LYS A 38 3.151 19.600 -1.753 1.00 0.00 N ATOM 0 H LYS A 38 3.956 16.123 -7.672 1.00 0.00 H new ATOM 0 HA LYS A 38 1.613 16.908 -5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.515 17.263 -6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.763 18.834 -6.206 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.688 16.978 -4.067 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.198 17.814 -3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.139 20.003 -4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.653 19.240 -4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.119 19.673 -2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.766 18.052 -2.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.894 19.591 -0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.990 19.004 -1.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.362 20.575 -2.048 1.00 0.00 H new ATOM 530 N THR A 39 0.609 18.449 -7.562 1.00 0.00 N ATOM 531 CA THR A 39 -0.002 19.384 -8.551 1.00 0.00 C ATOM 532 C THR A 39 -0.653 20.564 -7.821 1.00 0.00 C ATOM 533 O THR A 39 -0.766 20.553 -6.612 1.00 0.00 O ATOM 534 CB THR A 39 -1.059 18.554 -9.291 1.00 0.00 C ATOM 535 OG1 THR A 39 -1.522 17.507 -8.446 1.00 0.00 O ATOM 536 CG2 THR A 39 -0.448 17.956 -10.561 1.00 0.00 C ATOM 0 H THR A 39 -0.029 18.097 -6.848 1.00 0.00 H new ATOM 0 HA THR A 39 0.735 19.800 -9.238 1.00 0.00 H new ATOM 0 HB THR A 39 -1.897 19.197 -9.562 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.783 17.879 -7.577 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.201 17.367 -11.085 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.100 18.759 -11.210 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.392 17.315 -10.294 1.00 0.00 H new ATOM 544 N PRO A 40 -1.060 21.551 -8.580 1.00 0.00 N ATOM 545 CA PRO A 40 -1.705 22.747 -7.982 1.00 0.00 C ATOM 546 C PRO A 40 -3.083 22.390 -7.415 1.00 0.00 C ATOM 547 O PRO A 40 -3.650 23.128 -6.634 1.00 0.00 O ATOM 548 CB PRO A 40 -1.824 23.717 -9.156 1.00 0.00 C ATOM 549 CG PRO A 40 -1.822 22.847 -10.371 1.00 0.00 C ATOM 550 CD PRO A 40 -0.968 21.651 -10.043 1.00 0.00 C ATOM 0 HA PRO A 40 -1.141 23.167 -7.149 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.739 24.305 -9.092 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.993 24.422 -9.173 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.836 22.540 -10.629 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.423 23.384 -11.231 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.338 20.749 -10.530 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.062 21.792 -10.371 1.00 0.00 H new ATOM 558 N LYS A 41 -3.623 21.262 -7.797 1.00 0.00 N ATOM 559 CA LYS A 41 -4.959 20.859 -7.273 1.00 0.00 C ATOM 560 C LYS A 41 -4.794 20.051 -5.983 1.00 0.00 C ATOM 561 O LYS A 41 -5.435 20.320 -4.986 1.00 0.00 O ATOM 562 CB LYS A 41 -5.575 19.992 -8.374 1.00 0.00 C ATOM 563 CG LYS A 41 -5.899 20.862 -9.593 1.00 0.00 C ATOM 564 CD LYS A 41 -7.351 20.633 -10.018 1.00 0.00 C ATOM 565 CE LYS A 41 -7.403 19.573 -11.122 1.00 0.00 C ATOM 566 NZ LYS A 41 -7.944 18.354 -10.459 1.00 0.00 N ATOM 0 H LYS A 41 -3.196 20.604 -8.449 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.586 21.718 -7.035 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.883 19.198 -8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.481 19.510 -8.007 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.741 21.914 -9.354 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.226 20.618 -10.415 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.944 20.311 -9.162 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.787 21.566 -10.375 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.042 19.891 -11.945 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.413 19.389 -11.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.009 17.582 -11.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.311 18.071 -9.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.890 18.557 -10.077 1.00 0.00 H new ATOM 580 N GLU A 42 -3.936 19.065 -5.994 1.00 0.00 N ATOM 581 CA GLU A 42 -3.724 18.239 -4.768 1.00 0.00 C ATOM 582 C GLU A 42 -2.565 17.258 -4.978 1.00 0.00 C ATOM 583 O GLU A 42 -2.021 17.148 -6.059 1.00 0.00 O ATOM 584 CB GLU A 42 -5.035 17.477 -4.563 1.00 0.00 C ATOM 585 CG GLU A 42 -5.347 16.638 -5.805 1.00 0.00 C ATOM 586 CD GLU A 42 -6.574 15.765 -5.537 1.00 0.00 C ATOM 587 OE1 GLU A 42 -7.555 16.294 -5.041 1.00 0.00 O ATOM 588 OE2 GLU A 42 -6.513 14.584 -5.834 1.00 0.00 O ATOM 0 H GLU A 42 -3.372 18.795 -6.800 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.469 18.852 -3.904 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.958 16.832 -3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.848 18.178 -4.373 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.531 17.289 -6.660 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.491 16.013 -6.059 1.00 0.00 H new ATOM 595 N LYS A 43 -2.189 16.543 -3.950 1.00 0.00 N ATOM 596 CA LYS A 43 -1.071 15.565 -4.086 1.00 0.00 C ATOM 597 C LYS A 43 -1.630 14.142 -4.180 1.00 0.00 C ATOM 598 O LYS A 43 -2.335 13.685 -3.302 1.00 0.00 O ATOM 599 CB LYS A 43 -0.242 15.733 -2.812 1.00 0.00 C ATOM 600 CG LYS A 43 0.989 14.826 -2.881 1.00 0.00 C ATOM 601 CD LYS A 43 1.336 14.326 -1.477 1.00 0.00 C ATOM 602 CE LYS A 43 1.839 15.496 -0.627 1.00 0.00 C ATOM 603 NZ LYS A 43 2.776 14.881 0.355 1.00 0.00 N ATOM 0 H LYS A 43 -2.609 16.595 -3.022 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.476 15.735 -4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.065 16.773 -2.700 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.843 15.482 -1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.794 13.981 -3.541 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.833 15.372 -3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.458 13.876 -1.013 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.099 13.550 -1.534 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.344 16.242 -1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.015 16.002 -0.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.164 15.621 0.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.266 14.180 0.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.553 14.413 -0.153 1.00 0.00 H new ATOM 617 N GLU A 44 -1.326 13.441 -5.240 1.00 0.00 N ATOM 618 CA GLU A 44 -1.847 12.051 -5.390 1.00 0.00 C ATOM 619 C GLU A 44 -0.741 11.105 -5.865 1.00 0.00 C ATOM 620 O GLU A 44 0.016 11.419 -6.764 1.00 0.00 O ATOM 621 CB GLU A 44 -2.948 12.152 -6.447 1.00 0.00 C ATOM 622 CG GLU A 44 -4.282 12.480 -5.770 1.00 0.00 C ATOM 623 CD GLU A 44 -5.148 11.221 -5.706 1.00 0.00 C ATOM 624 OE1 GLU A 44 -4.980 10.456 -4.771 1.00 0.00 O ATOM 625 OE2 GLU A 44 -5.967 11.043 -6.594 1.00 0.00 O ATOM 0 H GLU A 44 -0.740 13.770 -6.007 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.216 11.653 -4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.698 12.925 -7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.028 11.213 -6.994 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.107 12.864 -4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.800 13.262 -6.325 1.00 0.00 H new ATOM 632 N GLU A 45 -0.647 9.946 -5.268 1.00 0.00 N ATOM 633 CA GLU A 45 0.403 8.970 -5.684 1.00 0.00 C ATOM 634 C GLU A 45 -0.142 8.056 -6.785 1.00 0.00 C ATOM 635 O GLU A 45 -1.328 7.794 -6.853 1.00 0.00 O ATOM 636 CB GLU A 45 0.713 8.163 -4.423 1.00 0.00 C ATOM 637 CG GLU A 45 2.191 7.767 -4.419 1.00 0.00 C ATOM 638 CD GLU A 45 2.650 7.521 -2.982 1.00 0.00 C ATOM 639 OE1 GLU A 45 1.995 6.755 -2.294 1.00 0.00 O ATOM 640 OE2 GLU A 45 3.649 8.102 -2.592 1.00 0.00 O ATOM 0 H GLU A 45 -1.253 9.633 -4.509 1.00 0.00 H new ATOM 0 HA GLU A 45 1.292 9.459 -6.083 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.481 8.752 -3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.087 7.272 -4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.339 6.868 -5.018 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.791 8.556 -4.873 1.00 0.00 H new ATOM 647 N PHE A 46 0.711 7.570 -7.648 1.00 0.00 N ATOM 648 CA PHE A 46 0.234 6.676 -8.743 1.00 0.00 C ATOM 649 C PHE A 46 1.011 5.358 -8.731 1.00 0.00 C ATOM 650 O PHE A 46 2.226 5.343 -8.740 1.00 0.00 O ATOM 651 CB PHE A 46 0.516 7.447 -10.032 1.00 0.00 C ATOM 652 CG PHE A 46 -0.737 8.159 -10.481 1.00 0.00 C ATOM 653 CD1 PHE A 46 -1.040 9.426 -9.969 1.00 0.00 C ATOM 654 CD2 PHE A 46 -1.593 7.555 -11.408 1.00 0.00 C ATOM 655 CE1 PHE A 46 -2.200 10.089 -10.384 1.00 0.00 C ATOM 656 CE2 PHE A 46 -2.755 8.219 -11.825 1.00 0.00 C ATOM 657 CZ PHE A 46 -3.058 9.486 -11.312 1.00 0.00 C ATOM 0 H PHE A 46 1.714 7.753 -7.642 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.821 6.423 -8.637 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.317 8.168 -9.869 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.856 6.763 -10.810 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.378 9.892 -9.254 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.359 6.577 -11.802 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.434 11.066 -9.988 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.416 7.754 -12.541 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.953 9.998 -11.632 1.00 0.00 H new ATOM 667 N ALA A 47 0.316 4.253 -8.724 1.00 0.00 N ATOM 668 CA ALA A 47 1.010 2.934 -8.726 1.00 0.00 C ATOM 669 C ALA A 47 1.193 2.464 -10.168 1.00 0.00 C ATOM 670 O ALA A 47 0.244 2.373 -10.923 1.00 0.00 O ATOM 671 CB ALA A 47 0.079 1.990 -7.964 1.00 0.00 C ATOM 0 H ALA A 47 -0.703 4.207 -8.717 1.00 0.00 H new ATOM 0 HA ALA A 47 1.998 2.975 -8.266 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.523 0.995 -7.923 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.068 2.364 -6.951 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.883 1.937 -8.474 1.00 0.00 H new ATOM 677 N VAL A 48 2.401 2.173 -10.564 1.00 0.00 N ATOM 678 CA VAL A 48 2.631 1.721 -11.964 1.00 0.00 C ATOM 679 C VAL A 48 3.718 0.645 -11.993 1.00 0.00 C ATOM 680 O VAL A 48 4.553 0.592 -11.114 1.00 0.00 O ATOM 681 CB VAL A 48 3.080 2.981 -12.711 1.00 0.00 C ATOM 682 CG1 VAL A 48 1.958 4.021 -12.669 1.00 0.00 C ATOM 683 CG2 VAL A 48 4.331 3.562 -12.043 1.00 0.00 C ATOM 0 H VAL A 48 3.236 2.228 -9.981 1.00 0.00 H new ATOM 0 HA VAL A 48 1.744 1.279 -12.417 1.00 0.00 H new ATOM 0 HB VAL A 48 3.308 2.724 -13.745 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.274 4.919 -13.200 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.066 3.613 -13.145 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.733 4.272 -11.632 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.646 4.458 -12.578 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.105 3.818 -11.008 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.133 2.824 -12.067 1.00 0.00 H new ATOM 693 N PRO A 49 3.672 -0.184 -13.005 1.00 0.00 N ATOM 694 CA PRO A 49 4.668 -1.276 -13.134 1.00 0.00 C ATOM 695 C PRO A 49 6.064 -0.705 -13.385 1.00 0.00 C ATOM 696 O PRO A 49 6.289 0.012 -14.338 1.00 0.00 O ATOM 697 CB PRO A 49 4.168 -2.081 -14.331 1.00 0.00 C ATOM 698 CG PRO A 49 3.341 -1.120 -15.118 1.00 0.00 C ATOM 699 CD PRO A 49 2.715 -0.182 -14.120 1.00 0.00 C ATOM 0 HA PRO A 49 4.758 -1.884 -12.234 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.998 -2.466 -14.923 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.579 -2.941 -14.011 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.956 -0.573 -15.833 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.576 -1.644 -15.691 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.584 0.817 -14.535 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.731 -0.528 -13.805 1.00 0.00 H new ATOM 707 N GLU A 50 6.994 -1.020 -12.521 1.00 0.00 N ATOM 708 CA GLU A 50 8.395 -0.510 -12.669 1.00 0.00 C ATOM 709 C GLU A 50 8.811 -0.439 -14.146 1.00 0.00 C ATOM 710 O GLU A 50 9.480 0.483 -14.568 1.00 0.00 O ATOM 711 CB GLU A 50 9.263 -1.520 -11.902 1.00 0.00 C ATOM 712 CG GLU A 50 9.324 -2.851 -12.662 1.00 0.00 C ATOM 713 CD GLU A 50 10.192 -3.846 -11.887 1.00 0.00 C ATOM 714 OE1 GLU A 50 11.069 -3.403 -11.164 1.00 0.00 O ATOM 715 OE2 GLU A 50 9.964 -5.037 -12.032 1.00 0.00 O ATOM 0 H GLU A 50 6.842 -1.617 -11.708 1.00 0.00 H new ATOM 0 HA GLU A 50 8.501 0.503 -12.282 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.269 -1.121 -11.772 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.852 -1.681 -10.905 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.319 -3.254 -12.792 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.736 -2.694 -13.659 1.00 0.00 H new ATOM 722 N ASN A 51 8.420 -1.403 -14.932 1.00 0.00 N ATOM 723 CA ASN A 51 8.801 -1.381 -16.375 1.00 0.00 C ATOM 724 C ASN A 51 7.782 -0.576 -17.187 1.00 0.00 C ATOM 725 O ASN A 51 7.249 -1.047 -18.173 1.00 0.00 O ATOM 726 CB ASN A 51 8.799 -2.848 -16.808 1.00 0.00 C ATOM 727 CG ASN A 51 9.834 -3.624 -15.992 1.00 0.00 C ATOM 728 OD1 ASN A 51 9.434 -4.560 -15.177 1.00 0.00 O flip ATOM 729 ND2 ASN A 51 11.019 -3.378 -16.100 1.00 0.00 N flip ATOM 0 H ASN A 51 7.856 -2.202 -14.641 1.00 0.00 H new ATOM 0 HA ASN A 51 9.770 -0.910 -16.536 1.00 0.00 H new ATOM 0 HB2 ASN A 51 7.809 -3.279 -16.663 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.027 -2.924 -17.871 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.332 -2.646 -16.738 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.701 -3.904 -15.553 1.00 0.00 H new ATOM 736 N SER A 52 7.513 0.637 -16.783 1.00 0.00 N ATOM 737 CA SER A 52 6.535 1.478 -17.533 1.00 0.00 C ATOM 738 C SER A 52 7.219 2.744 -18.057 1.00 0.00 C ATOM 739 O SER A 52 8.197 3.206 -17.501 1.00 0.00 O ATOM 740 CB SER A 52 5.458 1.839 -16.512 1.00 0.00 C ATOM 741 OG SER A 52 5.983 2.787 -15.592 1.00 0.00 O ATOM 0 H SER A 52 7.929 1.082 -15.965 1.00 0.00 H new ATOM 0 HA SER A 52 6.121 0.958 -18.397 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.585 2.251 -17.018 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.128 0.945 -15.983 1.00 0.00 H new ATOM 0 HG SER A 52 6.308 2.322 -14.793 1.00 0.00 H new ATOM 747 N SER A 53 6.710 3.308 -19.119 1.00 0.00 N ATOM 748 CA SER A 53 7.327 4.547 -19.677 1.00 0.00 C ATOM 749 C SER A 53 6.488 5.768 -19.294 1.00 0.00 C ATOM 750 O SER A 53 5.282 5.686 -19.165 1.00 0.00 O ATOM 751 CB SER A 53 7.323 4.345 -21.192 1.00 0.00 C ATOM 752 OG SER A 53 7.876 5.495 -21.819 1.00 0.00 O ATOM 0 H SER A 53 5.893 2.965 -19.625 1.00 0.00 H new ATOM 0 HA SER A 53 8.333 4.719 -19.294 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.902 3.459 -21.454 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.306 4.177 -21.546 1.00 0.00 H new ATOM 0 HG SER A 53 7.877 5.369 -22.791 1.00 0.00 H new ATOM 758 N VAL A 54 7.115 6.899 -19.111 1.00 0.00 N ATOM 759 CA VAL A 54 6.351 8.124 -18.735 1.00 0.00 C ATOM 760 C VAL A 54 5.308 8.461 -19.799 1.00 0.00 C ATOM 761 O VAL A 54 4.260 8.963 -19.486 1.00 0.00 O ATOM 762 CB VAL A 54 7.380 9.243 -18.602 1.00 0.00 C ATOM 763 CG1 VAL A 54 6.659 10.584 -18.380 1.00 0.00 C ATOM 764 CG2 VAL A 54 8.286 8.946 -17.404 1.00 0.00 C ATOM 0 H VAL A 54 8.122 7.028 -19.205 1.00 0.00 H new ATOM 0 HA VAL A 54 5.806 7.980 -17.802 1.00 0.00 H new ATOM 0 HB VAL A 54 7.977 9.303 -19.512 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.396 11.382 -18.285 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.007 10.791 -19.228 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.063 10.530 -17.469 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.025 9.741 -17.301 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.684 8.891 -16.497 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.795 7.995 -17.560 1.00 0.00 H new ATOM 774 N GLN A 55 5.589 8.213 -21.050 1.00 0.00 N ATOM 775 CA GLN A 55 4.590 8.551 -22.115 1.00 0.00 C ATOM 776 C GLN A 55 3.198 8.020 -21.737 1.00 0.00 C ATOM 777 O GLN A 55 2.209 8.723 -21.835 1.00 0.00 O ATOM 778 CB GLN A 55 5.105 7.852 -23.375 1.00 0.00 C ATOM 779 CG GLN A 55 4.299 8.323 -24.586 1.00 0.00 C ATOM 780 CD GLN A 55 4.642 7.454 -25.798 1.00 0.00 C ATOM 781 OE1 GLN A 55 5.275 7.911 -26.728 1.00 0.00 O ATOM 782 NE2 GLN A 55 4.247 6.211 -25.826 1.00 0.00 N ATOM 0 H GLN A 55 6.458 7.795 -21.383 1.00 0.00 H new ATOM 0 HA GLN A 55 4.488 9.627 -22.254 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.162 8.074 -23.520 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.018 6.771 -23.265 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.232 8.262 -24.372 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.522 9.368 -24.800 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.715 5.827 -25.045 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.470 5.623 -26.629 1.00 0.00 H new ATOM 791 N GLN A 56 3.116 6.794 -21.292 1.00 0.00 N ATOM 792 CA GLN A 56 1.790 6.232 -20.895 1.00 0.00 C ATOM 793 C GLN A 56 1.273 6.948 -19.642 1.00 0.00 C ATOM 794 O GLN A 56 0.157 7.428 -19.602 1.00 0.00 O ATOM 795 CB GLN A 56 2.055 4.755 -20.599 1.00 0.00 C ATOM 796 CG GLN A 56 0.753 3.963 -20.736 1.00 0.00 C ATOM 797 CD GLN A 56 0.738 2.824 -19.715 1.00 0.00 C ATOM 798 OE1 GLN A 56 0.734 3.062 -18.523 1.00 0.00 O ATOM 799 NE2 GLN A 56 0.728 1.589 -20.135 1.00 0.00 N ATOM 0 H GLN A 56 3.907 6.159 -21.186 1.00 0.00 H new ATOM 0 HA GLN A 56 1.036 6.360 -21.672 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.804 4.364 -21.287 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.457 4.642 -19.592 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -0.103 4.619 -20.577 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.664 3.562 -21.746 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.731 1.391 -21.135 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.717 0.822 -19.463 1.00 0.00 H new ATOM 808 N PHE A 57 2.085 7.025 -18.622 1.00 0.00 N ATOM 809 CA PHE A 57 1.662 7.713 -17.364 1.00 0.00 C ATOM 810 C PHE A 57 1.319 9.178 -17.655 1.00 0.00 C ATOM 811 O PHE A 57 0.408 9.742 -17.080 1.00 0.00 O ATOM 812 CB PHE A 57 2.874 7.614 -16.432 1.00 0.00 C ATOM 813 CG PHE A 57 2.610 8.387 -15.160 1.00 0.00 C ATOM 814 CD1 PHE A 57 1.446 8.144 -14.421 1.00 0.00 C ATOM 815 CD2 PHE A 57 3.528 9.350 -14.724 1.00 0.00 C ATOM 816 CE1 PHE A 57 1.202 8.862 -13.245 1.00 0.00 C ATOM 817 CE2 PHE A 57 3.285 10.068 -13.546 1.00 0.00 C ATOM 818 CZ PHE A 57 2.121 9.823 -12.807 1.00 0.00 C ATOM 0 H PHE A 57 3.029 6.639 -18.604 1.00 0.00 H new ATOM 0 HA PHE A 57 0.773 7.262 -16.922 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.079 6.569 -16.197 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.760 8.008 -16.930 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.737 7.403 -14.758 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.424 9.539 -15.296 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.304 8.675 -12.675 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.994 10.809 -13.208 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.932 10.376 -11.899 1.00 0.00 H new ATOM 828 N LYS A 58 2.053 9.796 -18.541 1.00 0.00 N ATOM 829 CA LYS A 58 1.793 11.224 -18.878 1.00 0.00 C ATOM 830 C LYS A 58 0.352 11.381 -19.365 1.00 0.00 C ATOM 831 O LYS A 58 -0.323 12.342 -19.047 1.00 0.00 O ATOM 832 CB LYS A 58 2.776 11.561 -20.004 1.00 0.00 C ATOM 833 CG LYS A 58 3.843 12.527 -19.483 1.00 0.00 C ATOM 834 CD LYS A 58 4.630 13.102 -20.663 1.00 0.00 C ATOM 835 CE LYS A 58 3.813 14.209 -21.334 1.00 0.00 C ATOM 836 NZ LYS A 58 3.908 13.928 -22.794 1.00 0.00 N ATOM 0 H LYS A 58 2.827 9.369 -19.049 1.00 0.00 H new ATOM 0 HA LYS A 58 1.924 11.883 -18.020 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.246 10.650 -20.375 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.244 12.009 -20.843 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.375 13.332 -18.917 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.517 12.008 -18.801 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.585 13.499 -20.318 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.854 12.314 -21.382 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.777 14.195 -20.996 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.213 15.195 -21.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.241 14.537 -23.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.876 14.120 -23.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.674 12.930 -22.971 1.00 0.00 H new ATOM 850 N GLU A 59 -0.126 10.434 -20.128 1.00 0.00 N ATOM 851 CA GLU A 59 -1.528 10.514 -20.630 1.00 0.00 C ATOM 852 C GLU A 59 -2.502 10.095 -19.524 1.00 0.00 C ATOM 853 O GLU A 59 -3.666 10.445 -19.544 1.00 0.00 O ATOM 854 CB GLU A 59 -1.589 9.532 -21.801 1.00 0.00 C ATOM 855 CG GLU A 59 -2.977 9.586 -22.444 1.00 0.00 C ATOM 856 CD GLU A 59 -3.352 8.199 -22.968 1.00 0.00 C ATOM 857 OE1 GLU A 59 -3.280 7.256 -22.198 1.00 0.00 O ATOM 858 OE2 GLU A 59 -3.704 8.103 -24.132 1.00 0.00 O ATOM 0 H GLU A 59 0.394 9.609 -20.425 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.804 11.524 -20.935 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.826 9.781 -22.538 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.378 8.521 -21.453 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.714 9.922 -21.715 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.983 10.308 -23.260 1.00 0.00 H new ATOM 865 N ALA A 60 -2.033 9.347 -18.558 1.00 0.00 N ATOM 866 CA ALA A 60 -2.930 8.905 -17.448 1.00 0.00 C ATOM 867 C ALA A 60 -3.433 10.116 -16.660 1.00 0.00 C ATOM 868 O ALA A 60 -4.613 10.246 -16.395 1.00 0.00 O ATOM 869 CB ALA A 60 -2.058 8.014 -16.562 1.00 0.00 C ATOM 0 H ALA A 60 -1.068 9.023 -18.490 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.810 8.377 -17.815 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.648 7.649 -15.721 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.693 7.168 -17.144 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.211 8.590 -16.188 1.00 0.00 H new ATOM 875 N ILE A 61 -2.551 11.005 -16.285 1.00 0.00 N ATOM 876 CA ILE A 61 -2.984 12.210 -15.515 1.00 0.00 C ATOM 877 C ILE A 61 -3.975 13.029 -16.352 1.00 0.00 C ATOM 878 O ILE A 61 -4.937 13.564 -15.843 1.00 0.00 O ATOM 879 CB ILE A 61 -1.692 12.999 -15.249 1.00 0.00 C ATOM 880 CG1 ILE A 61 -0.921 12.324 -14.111 1.00 0.00 C ATOM 881 CG2 ILE A 61 -2.020 14.444 -14.847 1.00 0.00 C ATOM 882 CD1 ILE A 61 0.364 13.106 -13.821 1.00 0.00 C ATOM 0 H ILE A 61 -1.551 10.950 -16.478 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.492 11.958 -14.584 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.090 13.013 -16.158 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.541 12.280 -13.215 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.679 11.296 -14.382 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.094 14.989 -14.662 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.572 14.929 -15.652 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.626 14.441 -13.941 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.909 12.622 -13.011 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.987 13.127 -14.715 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.112 14.126 -13.530 1.00 0.00 H new ATOM 894 N SER A 62 -3.747 13.129 -17.631 1.00 0.00 N ATOM 895 CA SER A 62 -4.680 13.915 -18.492 1.00 0.00 C ATOM 896 C SER A 62 -6.121 13.425 -18.308 1.00 0.00 C ATOM 897 O SER A 62 -7.018 14.199 -18.041 1.00 0.00 O ATOM 898 CB SER A 62 -4.208 13.660 -19.923 1.00 0.00 C ATOM 899 OG SER A 62 -5.230 14.052 -20.830 1.00 0.00 O ATOM 0 H SER A 62 -2.959 12.703 -18.118 1.00 0.00 H new ATOM 0 HA SER A 62 -4.673 14.976 -18.241 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.294 14.220 -20.122 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.971 12.605 -20.058 1.00 0.00 H new ATOM 0 HG SER A 62 -4.931 13.892 -21.749 1.00 0.00 H new ATOM 905 N LYS A 63 -6.350 12.150 -18.463 1.00 0.00 N ATOM 906 CA LYS A 63 -7.737 11.613 -18.311 1.00 0.00 C ATOM 907 C LYS A 63 -8.221 11.694 -16.855 1.00 0.00 C ATOM 908 O LYS A 63 -9.273 12.237 -16.577 1.00 0.00 O ATOM 909 CB LYS A 63 -7.643 10.153 -18.757 1.00 0.00 C ATOM 910 CG LYS A 63 -9.051 9.560 -18.879 1.00 0.00 C ATOM 911 CD LYS A 63 -9.380 9.315 -20.353 1.00 0.00 C ATOM 912 CE LYS A 63 -10.893 9.166 -20.521 1.00 0.00 C ATOM 913 NZ LYS A 63 -11.367 10.513 -20.946 1.00 0.00 N ATOM 0 H LYS A 63 -5.638 11.455 -18.688 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.452 12.189 -18.899 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.126 10.087 -19.714 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.057 9.580 -18.038 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.112 8.625 -18.322 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.782 10.240 -18.441 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.016 10.144 -20.960 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.874 8.416 -20.705 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.135 8.409 -21.267 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.365 8.857 -19.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.398 10.491 -21.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.129 11.212 -20.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.906 10.777 -21.840 1.00 0.00 H new ATOM 927 N ARG A 64 -7.482 11.138 -15.929 1.00 0.00 N ATOM 928 CA ARG A 64 -7.928 11.165 -14.499 1.00 0.00 C ATOM 929 C ARG A 64 -7.791 12.567 -13.892 1.00 0.00 C ATOM 930 O ARG A 64 -8.738 13.116 -13.363 1.00 0.00 O ATOM 931 CB ARG A 64 -7.004 10.181 -13.780 1.00 0.00 C ATOM 932 CG ARG A 64 -7.535 8.755 -13.960 1.00 0.00 C ATOM 933 CD ARG A 64 -8.197 8.283 -12.661 1.00 0.00 C ATOM 934 NE ARG A 64 -7.260 7.274 -12.094 1.00 0.00 N ATOM 935 CZ ARG A 64 -7.227 7.066 -10.806 1.00 0.00 C ATOM 936 NH1 ARG A 64 -8.165 6.361 -10.235 1.00 0.00 N ATOM 937 NH2 ARG A 64 -6.255 7.562 -10.089 1.00 0.00 N ATOM 0 H ARG A 64 -6.593 10.668 -16.098 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.980 10.897 -14.405 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.993 10.257 -14.180 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.947 10.428 -12.720 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.255 8.725 -14.778 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.719 8.084 -14.229 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.348 9.113 -11.971 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.177 7.847 -12.854 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.644 6.746 -12.712 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.924 5.973 -10.795 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.139 6.198 -9.228 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.521 8.112 -10.536 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.229 7.399 -9.082 1.00 0.00 H new ATOM 951 N PHE A 65 -6.623 13.147 -13.957 1.00 0.00 N ATOM 952 CA PHE A 65 -6.430 14.510 -13.376 1.00 0.00 C ATOM 953 C PHE A 65 -7.206 15.552 -14.187 1.00 0.00 C ATOM 954 O PHE A 65 -7.736 16.502 -13.644 1.00 0.00 O ATOM 955 CB PHE A 65 -4.923 14.774 -13.439 1.00 0.00 C ATOM 956 CG PHE A 65 -4.406 15.096 -12.055 1.00 0.00 C ATOM 957 CD1 PHE A 65 -5.011 16.106 -11.297 1.00 0.00 C ATOM 958 CD2 PHE A 65 -3.321 14.382 -11.531 1.00 0.00 C ATOM 959 CE1 PHE A 65 -4.532 16.401 -10.015 1.00 0.00 C ATOM 960 CE2 PHE A 65 -2.842 14.678 -10.249 1.00 0.00 C ATOM 961 CZ PHE A 65 -3.447 15.688 -9.491 1.00 0.00 C ATOM 0 H PHE A 65 -5.794 12.737 -14.387 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.801 14.573 -12.353 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.407 13.900 -13.837 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.717 15.602 -14.117 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.847 16.657 -11.701 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.854 13.603 -12.116 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.000 17.179 -9.430 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.006 14.127 -9.845 1.00 0.00 H new ATOM 0 HZ PHE A 65 -3.077 15.917 -8.503 1.00 0.00 H new ATOM 971 N LYS A 66 -7.265 15.383 -15.486 1.00 0.00 N ATOM 972 CA LYS A 66 -7.996 16.359 -16.360 1.00 0.00 C ATOM 973 C LYS A 66 -7.215 17.673 -16.453 1.00 0.00 C ATOM 974 O LYS A 66 -7.588 18.674 -15.873 1.00 0.00 O ATOM 975 CB LYS A 66 -9.362 16.581 -15.699 1.00 0.00 C ATOM 976 CG LYS A 66 -10.450 16.627 -16.775 1.00 0.00 C ATOM 977 CD LYS A 66 -11.489 17.690 -16.410 1.00 0.00 C ATOM 978 CE LYS A 66 -12.504 17.823 -17.547 1.00 0.00 C ATOM 979 NZ LYS A 66 -12.813 19.279 -17.617 1.00 0.00 N ATOM 0 H LYS A 66 -6.834 14.604 -15.984 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.110 15.983 -17.377 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.570 15.779 -14.991 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.357 17.512 -15.133 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.007 16.855 -17.745 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.929 15.652 -16.864 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.997 17.415 -15.485 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.999 18.647 -16.232 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.092 17.461 -18.489 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.401 17.238 -17.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.504 19.451 -18.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.210 19.594 -16.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.941 19.810 -17.816 1.00 0.00 H new ATOM 993 N SER A 67 -6.133 17.671 -17.186 1.00 0.00 N ATOM 994 CA SER A 67 -5.316 18.912 -17.332 1.00 0.00 C ATOM 995 C SER A 67 -4.422 18.807 -18.573 1.00 0.00 C ATOM 996 O SER A 67 -4.733 18.099 -19.511 1.00 0.00 O ATOM 997 CB SER A 67 -4.466 18.980 -16.061 1.00 0.00 C ATOM 998 OG SER A 67 -5.314 18.898 -14.924 1.00 0.00 O ATOM 0 H SER A 67 -5.778 16.860 -17.692 1.00 0.00 H new ATOM 0 HA SER A 67 -5.932 19.803 -17.456 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.743 18.164 -16.049 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.898 19.910 -16.039 1.00 0.00 H new ATOM 0 HG SER A 67 -6.196 19.262 -15.147 1.00 0.00 H new ATOM 1004 N GLN A 68 -3.315 19.501 -18.585 1.00 0.00 N ATOM 1005 CA GLN A 68 -2.403 19.435 -19.766 1.00 0.00 C ATOM 1006 C GLN A 68 -1.707 18.073 -19.818 1.00 0.00 C ATOM 1007 O GLN A 68 -2.005 17.185 -19.043 1.00 0.00 O ATOM 1008 CB GLN A 68 -1.381 20.552 -19.542 1.00 0.00 C ATOM 1009 CG GLN A 68 -1.056 21.229 -20.878 1.00 0.00 C ATOM 1010 CD GLN A 68 -1.260 22.740 -20.749 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -2.002 23.331 -21.509 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -0.628 23.395 -19.813 1.00 0.00 N ATOM 0 H GLN A 68 -3.002 20.110 -17.829 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.937 19.556 -20.708 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.777 21.285 -18.839 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.472 20.144 -19.099 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.027 21.014 -21.166 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.697 20.831 -21.665 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.005 22.899 -19.175 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.757 24.402 -19.720 1.00 0.00 H new ATOM 1021 N THR A 69 -0.782 17.900 -20.726 1.00 0.00 N ATOM 1022 CA THR A 69 -0.068 16.594 -20.827 1.00 0.00 C ATOM 1023 C THR A 69 1.370 16.811 -21.308 1.00 0.00 C ATOM 1024 O THR A 69 2.320 16.502 -20.614 1.00 0.00 O ATOM 1025 CB THR A 69 -0.861 15.786 -21.855 1.00 0.00 C ATOM 1026 OG1 THR A 69 -2.228 15.745 -21.469 1.00 0.00 O ATOM 1027 CG2 THR A 69 -0.305 14.363 -21.927 1.00 0.00 C ATOM 0 H THR A 69 -0.491 18.607 -21.401 1.00 0.00 H new ATOM 0 HA THR A 69 -0.007 16.083 -19.866 1.00 0.00 H new ATOM 0 HB THR A 69 -0.774 16.257 -22.834 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.738 15.229 -22.127 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.871 13.788 -22.660 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.743 14.397 -22.223 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.391 13.889 -20.949 1.00 0.00 H new ATOM 1035 N ASP A 70 1.537 17.340 -22.491 1.00 0.00 N ATOM 1036 CA ASP A 70 2.914 17.577 -23.018 1.00 0.00 C ATOM 1037 C ASP A 70 3.673 18.543 -22.103 1.00 0.00 C ATOM 1038 O ASP A 70 4.668 18.188 -21.502 1.00 0.00 O ATOM 1039 CB ASP A 70 2.710 18.199 -24.401 1.00 0.00 C ATOM 1040 CG ASP A 70 3.853 17.777 -25.325 1.00 0.00 C ATOM 1041 OD1 ASP A 70 4.240 16.622 -25.266 1.00 0.00 O ATOM 1042 OD2 ASP A 70 4.322 18.616 -26.076 1.00 0.00 O ATOM 0 H ASP A 70 0.780 17.618 -23.115 1.00 0.00 H new ATOM 0 HA ASP A 70 3.499 16.659 -23.066 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.755 17.879 -24.818 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.675 19.286 -24.321 1.00 0.00 H new ATOM 1047 N GLN A 71 3.208 19.759 -21.993 1.00 0.00 N ATOM 1048 CA GLN A 71 3.901 20.749 -21.114 1.00 0.00 C ATOM 1049 C GLN A 71 3.942 20.236 -19.671 1.00 0.00 C ATOM 1050 O GLN A 71 4.820 20.581 -18.906 1.00 0.00 O ATOM 1051 CB GLN A 71 3.059 22.026 -21.206 1.00 0.00 C ATOM 1052 CG GLN A 71 3.877 23.136 -21.871 1.00 0.00 C ATOM 1053 CD GLN A 71 3.582 23.159 -23.371 1.00 0.00 C ATOM 1054 OE1 GLN A 71 2.547 23.636 -23.791 1.00 0.00 O ATOM 1055 NE2 GLN A 71 4.456 22.660 -24.203 1.00 0.00 N ATOM 0 H GLN A 71 2.379 20.110 -22.473 1.00 0.00 H new ATOM 0 HA GLN A 71 4.933 20.921 -21.421 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.153 21.835 -21.780 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.745 22.339 -20.210 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.630 24.100 -21.426 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.941 22.970 -21.701 1.00 0.00 H new ATOM 0 HE21 GLN A 71 5.325 22.259 -23.850 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.270 22.671 -25.206 1.00 0.00 H new ATOM 1064 N LEU A 72 2.997 19.417 -19.299 1.00 0.00 N ATOM 1065 CA LEU A 72 2.974 18.881 -17.906 1.00 0.00 C ATOM 1066 C LEU A 72 4.224 18.038 -17.634 1.00 0.00 C ATOM 1067 O LEU A 72 4.348 16.923 -18.103 1.00 0.00 O ATOM 1068 CB LEU A 72 1.718 18.011 -17.836 1.00 0.00 C ATOM 1069 CG LEU A 72 1.345 17.769 -16.373 1.00 0.00 C ATOM 1070 CD1 LEU A 72 0.668 19.017 -15.805 1.00 0.00 C ATOM 1071 CD2 LEU A 72 0.383 16.582 -16.281 1.00 0.00 C ATOM 0 H LEU A 72 2.238 19.095 -19.899 1.00 0.00 H new ATOM 0 HA LEU A 72 2.963 19.678 -17.162 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.894 18.500 -18.356 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.893 17.060 -18.340 1.00 0.00 H new ATOM 0 HG LEU A 72 2.247 17.552 -15.800 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.402 18.844 -14.762 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.352 19.863 -15.870 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.233 19.235 -16.378 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.117 16.409 -15.238 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.518 16.799 -16.854 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.864 15.691 -16.685 1.00 0.00 H new ATOM 1083 N VAL A 73 5.147 18.562 -16.872 1.00 0.00 N ATOM 1084 CA VAL A 73 6.389 17.796 -16.556 1.00 0.00 C ATOM 1085 C VAL A 73 6.616 17.787 -15.042 1.00 0.00 C ATOM 1086 O VAL A 73 6.065 18.598 -14.323 1.00 0.00 O ATOM 1087 CB VAL A 73 7.514 18.551 -17.267 1.00 0.00 C ATOM 1088 CG1 VAL A 73 8.851 17.858 -16.993 1.00 0.00 C ATOM 1089 CG2 VAL A 73 7.250 18.563 -18.775 1.00 0.00 C ATOM 0 H VAL A 73 5.094 19.491 -16.453 1.00 0.00 H new ATOM 0 HA VAL A 73 6.335 16.757 -16.881 1.00 0.00 H new ATOM 0 HB VAL A 73 7.551 19.575 -16.895 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.651 18.397 -17.500 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.043 17.849 -15.920 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.812 16.834 -17.363 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.052 19.101 -19.280 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.210 17.539 -19.146 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.299 19.058 -18.974 1.00 0.00 H new ATOM 1099 N LEU A 74 7.420 16.882 -14.547 1.00 0.00 N ATOM 1100 CA LEU A 74 7.667 16.840 -13.078 1.00 0.00 C ATOM 1101 C LEU A 74 9.124 17.197 -12.780 1.00 0.00 C ATOM 1102 O LEU A 74 10.029 16.787 -13.479 1.00 0.00 O ATOM 1103 CB LEU A 74 7.369 15.402 -12.665 1.00 0.00 C ATOM 1104 CG LEU A 74 5.899 15.275 -12.267 1.00 0.00 C ATOM 1105 CD1 LEU A 74 5.515 13.796 -12.218 1.00 0.00 C ATOM 1106 CD2 LEU A 74 5.688 15.906 -10.889 1.00 0.00 C ATOM 0 H LEU A 74 7.912 16.175 -15.093 1.00 0.00 H new ATOM 0 HA LEU A 74 7.048 17.553 -12.533 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.593 14.723 -13.488 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.008 15.113 -11.831 1.00 0.00 H new ATOM 0 HG LEU A 74 5.275 15.789 -12.999 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.467 13.701 -11.934 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.667 13.348 -13.200 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.137 13.283 -11.485 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.640 15.816 -10.604 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.309 15.393 -10.155 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.965 16.960 -10.925 1.00 0.00 H new ATOM 1118 N ILE A 75 9.354 17.959 -11.747 1.00 0.00 N ATOM 1119 CA ILE A 75 10.750 18.346 -11.398 1.00 0.00 C ATOM 1120 C ILE A 75 11.266 17.475 -10.254 1.00 0.00 C ATOM 1121 O ILE A 75 11.059 17.771 -9.093 1.00 0.00 O ATOM 1122 CB ILE A 75 10.661 19.811 -10.967 1.00 0.00 C ATOM 1123 CG1 ILE A 75 10.193 20.662 -12.153 1.00 0.00 C ATOM 1124 CG2 ILE A 75 12.037 20.295 -10.501 1.00 0.00 C ATOM 1125 CD1 ILE A 75 11.183 20.525 -13.314 1.00 0.00 C ATOM 0 H ILE A 75 8.634 18.331 -11.128 1.00 0.00 H new ATOM 0 HA ILE A 75 11.439 18.212 -12.232 1.00 0.00 H new ATOM 0 HB ILE A 75 9.949 19.905 -10.147 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.200 20.344 -12.471 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.113 21.707 -11.853 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.971 21.339 -10.195 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.369 19.690 -9.658 1.00 0.00 H new ATOM 0 HG23 ILE A 75 12.752 20.201 -11.319 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.845 21.132 -14.154 1.00 0.00 H new ATOM 0 HD12 ILE A 75 12.168 20.865 -12.994 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.241 19.481 -13.621 1.00 0.00 H new ATOM 1137 N PHE A 76 11.934 16.403 -10.576 1.00 0.00 N ATOM 1138 CA PHE A 76 12.465 15.508 -9.509 1.00 0.00 C ATOM 1139 C PHE A 76 13.935 15.835 -9.228 1.00 0.00 C ATOM 1140 O PHE A 76 14.791 15.665 -10.074 1.00 0.00 O ATOM 1141 CB PHE A 76 12.321 14.093 -10.073 1.00 0.00 C ATOM 1142 CG PHE A 76 12.873 13.074 -9.095 1.00 0.00 C ATOM 1143 CD1 PHE A 76 12.931 13.356 -7.721 1.00 0.00 C ATOM 1144 CD2 PHE A 76 13.327 11.839 -9.571 1.00 0.00 C ATOM 1145 CE1 PHE A 76 13.443 12.404 -6.831 1.00 0.00 C ATOM 1146 CE2 PHE A 76 13.839 10.888 -8.681 1.00 0.00 C ATOM 1147 CZ PHE A 76 13.897 11.170 -7.311 1.00 0.00 C ATOM 0 H PHE A 76 12.136 16.107 -11.531 1.00 0.00 H new ATOM 0 HA PHE A 76 11.932 15.624 -8.565 1.00 0.00 H new ATOM 0 HB2 PHE A 76 11.271 13.881 -10.275 1.00 0.00 H new ATOM 0 HB3 PHE A 76 12.850 14.018 -11.023 1.00 0.00 H new ATOM 0 HD1 PHE A 76 12.580 14.308 -7.350 1.00 0.00 H new ATOM 0 HD2 PHE A 76 13.282 11.619 -10.627 1.00 0.00 H new ATOM 0 HE1 PHE A 76 13.488 12.622 -5.774 1.00 0.00 H new ATOM 0 HE2 PHE A 76 14.190 9.936 -9.051 1.00 0.00 H new ATOM 0 HZ PHE A 76 14.292 10.436 -6.625 1.00 0.00 H new ATOM 1157 N ALA A 77 14.232 16.304 -8.044 1.00 0.00 N ATOM 1158 CA ALA A 77 15.647 16.645 -7.696 1.00 0.00 C ATOM 1159 C ALA A 77 16.236 17.607 -8.733 1.00 0.00 C ATOM 1160 O ALA A 77 17.431 17.635 -8.956 1.00 0.00 O ATOM 1161 CB ALA A 77 16.396 15.311 -7.714 1.00 0.00 C ATOM 0 H ALA A 77 13.554 16.467 -7.299 1.00 0.00 H new ATOM 0 HA ALA A 77 15.722 17.141 -6.728 1.00 0.00 H new ATOM 0 HB1 ALA A 77 17.444 15.479 -7.467 1.00 0.00 H new ATOM 0 HB2 ALA A 77 15.955 14.636 -6.981 1.00 0.00 H new ATOM 0 HB3 ALA A 77 16.323 14.866 -8.707 1.00 0.00 H new ATOM 1167 N GLY A 78 15.408 18.395 -9.367 1.00 0.00 N ATOM 1168 CA GLY A 78 15.923 19.353 -10.387 1.00 0.00 C ATOM 1169 C GLY A 78 15.728 18.763 -11.784 1.00 0.00 C ATOM 1170 O GLY A 78 15.375 19.457 -12.717 1.00 0.00 O ATOM 0 H GLY A 78 14.399 18.416 -9.222 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.398 20.305 -10.306 1.00 0.00 H new ATOM 0 HA3 GLY A 78 16.979 19.556 -10.210 1.00 0.00 H new ATOM 1174 N LYS A 79 15.953 17.484 -11.934 1.00 0.00 N ATOM 1175 CA LYS A 79 15.780 16.846 -13.272 1.00 0.00 C ATOM 1176 C LYS A 79 14.324 16.971 -13.730 1.00 0.00 C ATOM 1177 O LYS A 79 13.506 17.583 -13.069 1.00 0.00 O ATOM 1178 CB LYS A 79 16.153 15.377 -13.066 1.00 0.00 C ATOM 1179 CG LYS A 79 17.660 15.200 -13.265 1.00 0.00 C ATOM 1180 CD LYS A 79 18.168 14.084 -12.349 1.00 0.00 C ATOM 1181 CE LYS A 79 18.105 14.548 -10.890 1.00 0.00 C ATOM 1182 NZ LYS A 79 19.518 14.521 -10.417 1.00 0.00 N ATOM 0 H LYS A 79 16.249 16.854 -11.188 1.00 0.00 H new ATOM 0 HA LYS A 79 16.397 17.317 -14.037 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.867 15.055 -12.064 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.606 14.750 -13.770 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.874 14.957 -14.306 1.00 0.00 H new ATOM 0 HG3 LYS A 79 18.179 16.132 -13.042 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.563 13.187 -12.482 1.00 0.00 H new ATOM 0 HD3 LYS A 79 19.192 13.820 -12.613 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.681 15.549 -10.812 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.476 13.888 -10.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.557 14.827 -9.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.892 13.554 -10.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 20.092 15.163 -11.000 1.00 0.00 H new ATOM 1196 N ILE A 80 13.993 16.390 -14.850 1.00 0.00 N ATOM 1197 CA ILE A 80 12.585 16.471 -15.346 1.00 0.00 C ATOM 1198 C ILE A 80 11.948 15.085 -15.370 1.00 0.00 C ATOM 1199 O ILE A 80 12.015 14.384 -16.360 1.00 0.00 O ATOM 1200 CB ILE A 80 12.629 17.046 -16.778 1.00 0.00 C ATOM 1201 CG1 ILE A 80 13.992 16.801 -17.443 1.00 0.00 C ATOM 1202 CG2 ILE A 80 12.364 18.551 -16.725 1.00 0.00 C ATOM 1203 CD1 ILE A 80 14.174 15.306 -17.711 1.00 0.00 C ATOM 0 H ILE A 80 14.633 15.863 -15.444 1.00 0.00 H new ATOM 0 HA ILE A 80 11.991 17.106 -14.689 1.00 0.00 H new ATOM 0 HB ILE A 80 11.864 16.541 -17.369 1.00 0.00 H new ATOM 0 HG12 ILE A 80 14.057 17.358 -18.378 1.00 0.00 H new ATOM 0 HG13 ILE A 80 14.792 17.165 -16.799 1.00 0.00 H new ATOM 0 HG21 ILE A 80 12.394 18.962 -17.734 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.382 18.732 -16.289 1.00 0.00 H new ATOM 0 HG23 ILE A 80 13.127 19.034 -16.114 1.00 0.00 H new ATOM 0 HD11 ILE A 80 15.142 15.136 -18.183 1.00 0.00 H new ATOM 0 HD12 ILE A 80 14.128 14.759 -16.769 1.00 0.00 H new ATOM 0 HD13 ILE A 80 13.382 14.956 -18.372 1.00 0.00 H new ATOM 1215 N LEU A 81 11.304 14.688 -14.304 1.00 0.00 N ATOM 1216 CA LEU A 81 10.646 13.353 -14.308 1.00 0.00 C ATOM 1217 C LEU A 81 9.579 13.352 -15.402 1.00 0.00 C ATOM 1218 O LEU A 81 8.455 13.766 -15.193 1.00 0.00 O ATOM 1219 CB LEU A 81 10.017 13.201 -12.922 1.00 0.00 C ATOM 1220 CG LEU A 81 9.409 11.804 -12.784 1.00 0.00 C ATOM 1221 CD1 LEU A 81 9.370 11.410 -11.307 1.00 0.00 C ATOM 1222 CD2 LEU A 81 7.985 11.809 -13.345 1.00 0.00 C ATOM 0 H LEU A 81 11.207 15.224 -13.442 1.00 0.00 H new ATOM 0 HA LEU A 81 11.334 12.531 -14.507 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.771 13.358 -12.150 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.248 13.959 -12.776 1.00 0.00 H new ATOM 0 HG LEU A 81 10.016 11.088 -13.338 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.937 10.415 -11.207 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.383 11.407 -10.904 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.762 12.127 -10.755 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.552 10.814 -13.247 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.378 12.525 -12.791 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.010 12.092 -14.397 1.00 0.00 H new ATOM 1234 N LYS A 82 9.939 12.926 -16.583 1.00 0.00 N ATOM 1235 CA LYS A 82 8.963 12.933 -17.704 1.00 0.00 C ATOM 1236 C LYS A 82 9.325 11.865 -18.743 1.00 0.00 C ATOM 1237 O LYS A 82 9.864 10.828 -18.416 1.00 0.00 O ATOM 1238 CB LYS A 82 9.081 14.336 -18.300 1.00 0.00 C ATOM 1239 CG LYS A 82 7.750 14.729 -18.935 1.00 0.00 C ATOM 1240 CD LYS A 82 8.006 15.647 -20.131 1.00 0.00 C ATOM 1241 CE LYS A 82 6.695 15.885 -20.885 1.00 0.00 C ATOM 1242 NZ LYS A 82 7.012 16.946 -21.880 1.00 0.00 N ATOM 0 H LYS A 82 10.867 12.574 -16.817 1.00 0.00 H new ATOM 0 HA LYS A 82 7.948 12.707 -17.376 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.352 15.052 -17.524 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.874 14.361 -19.047 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.211 13.838 -19.256 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.121 15.235 -18.203 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.420 16.597 -19.792 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.743 15.198 -20.796 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.350 14.974 -21.375 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.902 16.203 -20.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.217 17.613 -21.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.869 17.455 -21.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.172 16.512 -22.811 1.00 0.00 H new ATOM 1256 N ASP A 83 9.034 12.116 -19.992 1.00 0.00 N ATOM 1257 CA ASP A 83 9.356 11.115 -21.050 1.00 0.00 C ATOM 1258 C ASP A 83 10.866 11.068 -21.288 1.00 0.00 C ATOM 1259 O ASP A 83 11.379 10.139 -21.882 1.00 0.00 O ATOM 1260 CB ASP A 83 8.605 11.600 -22.292 1.00 0.00 C ATOM 1261 CG ASP A 83 9.026 10.775 -23.512 1.00 0.00 C ATOM 1262 OD1 ASP A 83 8.977 9.560 -23.425 1.00 0.00 O ATOM 1263 OD2 ASP A 83 9.388 11.374 -24.512 1.00 0.00 O ATOM 0 H ASP A 83 8.587 12.971 -20.325 1.00 0.00 H new ATOM 0 HA ASP A 83 9.059 10.102 -20.777 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.530 11.511 -22.135 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.815 12.655 -22.466 1.00 0.00 H new ATOM 1268 N GLN A 84 11.585 12.052 -20.812 1.00 0.00 N ATOM 1269 CA GLN A 84 13.066 12.050 -20.991 1.00 0.00 C ATOM 1270 C GLN A 84 13.636 10.726 -20.477 1.00 0.00 C ATOM 1271 O GLN A 84 14.614 10.215 -20.988 1.00 0.00 O ATOM 1272 CB GLN A 84 13.573 13.220 -20.146 1.00 0.00 C ATOM 1273 CG GLN A 84 15.080 13.394 -20.358 1.00 0.00 C ATOM 1274 CD GLN A 84 15.337 14.633 -21.218 1.00 0.00 C ATOM 1275 OE1 GLN A 84 14.562 14.947 -22.099 1.00 0.00 O ATOM 1276 NE2 GLN A 84 16.403 15.355 -20.998 1.00 0.00 N ATOM 0 H GLN A 84 11.210 12.855 -20.308 1.00 0.00 H new ATOM 0 HA GLN A 84 13.365 12.152 -22.034 1.00 0.00 H new ATOM 0 HB2 GLN A 84 13.049 14.135 -20.422 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.363 13.038 -19.092 1.00 0.00 H new ATOM 0 HG2 GLN A 84 15.584 13.495 -19.397 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.494 12.510 -20.843 1.00 0.00 H new ATOM 0 HE21 GLN A 84 17.054 15.091 -20.258 1.00 0.00 H new ATOM 0 HE22 GLN A 84 16.585 16.183 -21.566 1.00 0.00 H new ATOM 1285 N ASP A 85 13.020 10.169 -19.468 1.00 0.00 N ATOM 1286 CA ASP A 85 13.509 8.874 -18.910 1.00 0.00 C ATOM 1287 C ASP A 85 12.369 8.156 -18.184 1.00 0.00 C ATOM 1288 O ASP A 85 11.378 8.762 -17.824 1.00 0.00 O ATOM 1289 CB ASP A 85 14.615 9.259 -17.926 1.00 0.00 C ATOM 1290 CG ASP A 85 15.734 8.217 -17.983 1.00 0.00 C ATOM 1291 OD1 ASP A 85 15.455 7.061 -17.711 1.00 0.00 O ATOM 1292 OD2 ASP A 85 16.851 8.595 -18.297 1.00 0.00 O ATOM 0 H ASP A 85 12.197 10.556 -19.005 1.00 0.00 H new ATOM 0 HA ASP A 85 13.873 8.198 -19.684 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.009 10.245 -18.173 1.00 0.00 H new ATOM 0 HB3 ASP A 85 14.212 9.320 -16.915 1.00 0.00 H new ATOM 1297 N THR A 86 12.497 6.874 -17.960 1.00 0.00 N ATOM 1298 CA THR A 86 11.411 6.136 -17.251 1.00 0.00 C ATOM 1299 C THR A 86 11.514 6.388 -15.746 1.00 0.00 C ATOM 1300 O THR A 86 12.513 6.875 -15.256 1.00 0.00 O ATOM 1301 CB THR A 86 11.640 4.658 -17.574 1.00 0.00 C ATOM 1302 OG1 THR A 86 12.899 4.253 -17.064 1.00 0.00 O ATOM 1303 CG2 THR A 86 11.607 4.449 -19.089 1.00 0.00 C ATOM 0 H THR A 86 13.301 6.310 -18.235 1.00 0.00 H new ATOM 0 HA THR A 86 10.418 6.458 -17.564 1.00 0.00 H new ATOM 0 HB THR A 86 10.853 4.061 -17.113 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.947 3.274 -17.051 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.771 3.395 -19.315 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.636 4.757 -19.478 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.391 5.046 -19.556 1.00 0.00 H new ATOM 1311 N LEU A 87 10.484 6.072 -15.012 1.00 0.00 N ATOM 1312 CA LEU A 87 10.515 6.306 -13.538 1.00 0.00 C ATOM 1313 C LEU A 87 11.554 5.409 -12.862 1.00 0.00 C ATOM 1314 O LEU A 87 12.331 5.862 -12.045 1.00 0.00 O ATOM 1315 CB LEU A 87 9.098 5.983 -13.054 1.00 0.00 C ATOM 1316 CG LEU A 87 8.468 7.232 -12.424 1.00 0.00 C ATOM 1317 CD1 LEU A 87 8.503 8.402 -13.415 1.00 0.00 C ATOM 1318 CD2 LEU A 87 7.017 6.931 -12.043 1.00 0.00 C ATOM 0 H LEU A 87 9.621 5.661 -15.368 1.00 0.00 H new ATOM 0 HA LEU A 87 10.801 7.329 -13.292 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.488 5.638 -13.889 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.128 5.173 -12.326 1.00 0.00 H new ATOM 0 HG LEU A 87 9.035 7.505 -11.534 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.053 9.282 -12.955 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.537 8.621 -13.683 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.944 8.136 -14.312 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.567 7.817 -11.595 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.457 6.651 -12.935 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.992 6.110 -11.327 1.00 0.00 H new ATOM 1330 N ILE A 88 11.583 4.146 -13.190 1.00 0.00 N ATOM 1331 CA ILE A 88 12.587 3.242 -12.551 1.00 0.00 C ATOM 1332 C ILE A 88 14.007 3.657 -12.944 1.00 0.00 C ATOM 1333 O ILE A 88 14.969 3.292 -12.296 1.00 0.00 O ATOM 1334 CB ILE A 88 12.284 1.843 -13.084 1.00 0.00 C ATOM 1335 CG1 ILE A 88 12.217 1.872 -14.617 1.00 0.00 C ATOM 1336 CG2 ILE A 88 10.946 1.367 -12.520 1.00 0.00 C ATOM 1337 CD1 ILE A 88 12.927 0.642 -15.185 1.00 0.00 C ATOM 0 H ILE A 88 10.962 3.702 -13.866 1.00 0.00 H new ATOM 0 HA ILE A 88 12.526 3.284 -11.463 1.00 0.00 H new ATOM 0 HB ILE A 88 13.075 1.159 -12.776 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.178 1.888 -14.945 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.685 2.781 -14.994 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.726 0.369 -12.898 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.999 1.339 -11.432 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.157 2.053 -12.827 1.00 0.00 H new ATOM 0 HD11 ILE A 88 12.878 0.664 -16.274 1.00 0.00 H new ATOM 0 HD12 ILE A 88 13.970 0.645 -14.868 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.439 -0.261 -14.818 1.00 0.00 H new ATOM 1349 N GLN A 89 14.150 4.410 -14.001 1.00 0.00 N ATOM 1350 CA GLN A 89 15.512 4.834 -14.433 1.00 0.00 C ATOM 1351 C GLN A 89 15.886 6.182 -13.815 1.00 0.00 C ATOM 1352 O GLN A 89 17.040 6.563 -13.811 1.00 0.00 O ATOM 1353 CB GLN A 89 15.429 4.956 -15.953 1.00 0.00 C ATOM 1354 CG GLN A 89 15.427 3.558 -16.572 1.00 0.00 C ATOM 1355 CD GLN A 89 16.856 3.012 -16.619 1.00 0.00 C ATOM 1356 OE1 GLN A 89 17.744 3.542 -15.979 1.00 0.00 O ATOM 1357 NE2 GLN A 89 17.118 1.966 -17.354 1.00 0.00 N ATOM 0 H GLN A 89 13.384 4.749 -14.583 1.00 0.00 H new ATOM 0 HA GLN A 89 16.274 4.122 -14.116 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.524 5.494 -16.237 1.00 0.00 H new ATOM 0 HB3 GLN A 89 16.274 5.532 -16.330 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.792 2.892 -15.988 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.009 3.596 -17.578 1.00 0.00 H new ATOM 0 HE21 GLN A 89 16.374 1.521 -17.891 1.00 0.00 H new ATOM 0 HE22 GLN A 89 18.067 1.594 -17.391 1.00 0.00 H new ATOM 1366 N HIS A 90 14.931 6.914 -13.295 1.00 0.00 N ATOM 1367 CA HIS A 90 15.273 8.241 -12.690 1.00 0.00 C ATOM 1368 C HIS A 90 14.027 8.963 -12.172 1.00 0.00 C ATOM 1369 O HIS A 90 14.113 9.766 -11.266 1.00 0.00 O ATOM 1370 CB HIS A 90 15.897 9.051 -13.826 1.00 0.00 C ATOM 1371 CG HIS A 90 17.323 9.393 -13.485 1.00 0.00 C ATOM 1372 ND1 HIS A 90 18.258 8.758 -12.706 1.00 0.00 N flip ATOM 1373 CD2 HIS A 90 17.946 10.529 -13.975 1.00 0.00 C flip ATOM 1374 CE1 HIS A 90 19.443 9.488 -12.710 1.00 0.00 C flip ATOM 1375 NE2 HIS A 90 19.201 10.546 -13.489 1.00 0.00 N flip ATOM 0 H HIS A 90 13.945 6.657 -13.262 1.00 0.00 H new ATOM 0 HA HIS A 90 15.941 8.119 -11.838 1.00 0.00 H new ATOM 0 HB2 HIS A 90 15.862 8.480 -14.754 1.00 0.00 H new ATOM 0 HB3 HIS A 90 15.324 9.963 -13.992 1.00 0.00 H new ATOM 0 HD1 HIS A 90 18.107 7.885 -12.201 1.00 0.00 H new ATOM 0 HD2 HIS A 90 17.505 11.267 -14.628 1.00 0.00 H new ATOM 0 HE1 HIS A 90 20.361 9.250 -12.194 1.00 0.00 H new ATOM 1383 N GLY A 91 12.873 8.709 -12.736 1.00 0.00 N ATOM 1384 CA GLY A 91 11.651 9.421 -12.250 1.00 0.00 C ATOM 1385 C GLY A 91 11.476 9.130 -10.763 1.00 0.00 C ATOM 1386 O GLY A 91 11.334 10.027 -9.955 1.00 0.00 O ATOM 0 H GLY A 91 12.724 8.050 -13.500 1.00 0.00 H new ATOM 0 HA2 GLY A 91 11.747 10.494 -12.417 1.00 0.00 H new ATOM 0 HA3 GLY A 91 10.774 9.089 -12.806 1.00 0.00 H new ATOM 1390 N ILE A 92 11.524 7.883 -10.394 1.00 0.00 N ATOM 1391 CA ILE A 92 11.404 7.525 -8.957 1.00 0.00 C ATOM 1392 C ILE A 92 12.218 6.259 -8.698 1.00 0.00 C ATOM 1393 O ILE A 92 12.697 5.624 -9.617 1.00 0.00 O ATOM 1394 CB ILE A 92 9.915 7.272 -8.709 1.00 0.00 C ATOM 1395 CG1 ILE A 92 9.441 6.112 -9.584 1.00 0.00 C ATOM 1396 CG2 ILE A 92 9.112 8.532 -9.041 1.00 0.00 C ATOM 1397 CD1 ILE A 92 9.717 4.791 -8.866 1.00 0.00 C ATOM 0 H ILE A 92 11.642 7.093 -11.029 1.00 0.00 H new ATOM 0 HA ILE A 92 11.777 8.308 -8.297 1.00 0.00 H new ATOM 0 HB ILE A 92 9.763 7.019 -7.660 1.00 0.00 H new ATOM 0 HG12 ILE A 92 8.376 6.210 -9.792 1.00 0.00 H new ATOM 0 HG13 ILE A 92 9.956 6.132 -10.544 1.00 0.00 H new ATOM 0 HG21 ILE A 92 8.053 8.346 -8.863 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.448 9.354 -8.409 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.263 8.794 -10.088 1.00 0.00 H new ATOM 0 HD11 ILE A 92 9.380 3.962 -9.488 1.00 0.00 H new ATOM 0 HD12 ILE A 92 10.787 4.694 -8.681 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.181 4.774 -7.917 1.00 0.00 H new ATOM 1409 N HIS A 93 12.373 5.880 -7.467 1.00 0.00 N ATOM 1410 CA HIS A 93 13.148 4.646 -7.170 1.00 0.00 C ATOM 1411 C HIS A 93 12.245 3.627 -6.468 1.00 0.00 C ATOM 1412 O HIS A 93 12.380 2.434 -6.653 1.00 0.00 O ATOM 1413 CB HIS A 93 14.285 5.102 -6.257 1.00 0.00 C ATOM 1414 CG HIS A 93 15.523 5.353 -7.080 1.00 0.00 C ATOM 1415 ND1 HIS A 93 15.492 6.026 -8.299 1.00 0.00 N ATOM 1416 CD2 HIS A 93 16.840 5.027 -6.870 1.00 0.00 C ATOM 1417 CE1 HIS A 93 16.754 6.078 -8.763 1.00 0.00 C ATOM 1418 NE2 HIS A 93 17.614 5.485 -7.932 1.00 0.00 N ATOM 0 H HIS A 93 11.999 6.368 -6.653 1.00 0.00 H new ATOM 0 HA HIS A 93 13.532 4.161 -8.067 1.00 0.00 H new ATOM 0 HB2 HIS A 93 13.998 6.010 -5.727 1.00 0.00 H new ATOM 0 HB3 HIS A 93 14.486 4.342 -5.502 1.00 0.00 H new ATOM 0 HD2 HIS A 93 17.219 4.495 -6.010 1.00 0.00 H new ATOM 0 HE1 HIS A 93 17.037 6.543 -9.696 1.00 0.00 H new ATOM 0 HE2 HIS A 93 18.623 5.388 -8.050 1.00 0.00 H new ATOM 1426 N ASP A 94 11.315 4.097 -5.674 1.00 0.00 N ATOM 1427 CA ASP A 94 10.381 3.173 -4.960 1.00 0.00 C ATOM 1428 C ASP A 94 9.402 3.980 -4.100 1.00 0.00 C ATOM 1429 O ASP A 94 9.005 3.557 -3.032 1.00 0.00 O ATOM 1430 CB ASP A 94 11.268 2.294 -4.075 1.00 0.00 C ATOM 1431 CG ASP A 94 10.405 1.254 -3.357 1.00 0.00 C ATOM 1432 OD1 ASP A 94 9.963 0.325 -4.013 1.00 0.00 O ATOM 1433 OD2 ASP A 94 10.201 1.405 -2.163 1.00 0.00 O ATOM 0 H ASP A 94 11.162 5.088 -5.489 1.00 0.00 H new ATOM 0 HA ASP A 94 9.789 2.576 -5.653 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.026 1.797 -4.681 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.796 2.909 -3.346 1.00 0.00 H new ATOM 1438 N GLY A 95 9.011 5.142 -4.556 1.00 0.00 N ATOM 1439 CA GLY A 95 8.060 5.975 -3.764 1.00 0.00 C ATOM 1440 C GLY A 95 8.720 7.309 -3.407 1.00 0.00 C ATOM 1441 O GLY A 95 9.038 7.566 -2.262 1.00 0.00 O ATOM 0 H GLY A 95 9.310 5.549 -5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.150 6.150 -4.337 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.768 5.448 -2.856 1.00 0.00 H new ATOM 1445 N LEU A 96 8.925 8.159 -4.378 1.00 0.00 N ATOM 1446 CA LEU A 96 9.563 9.479 -4.094 1.00 0.00 C ATOM 1447 C LEU A 96 8.565 10.613 -4.350 1.00 0.00 C ATOM 1448 O LEU A 96 7.396 10.380 -4.588 1.00 0.00 O ATOM 1449 CB LEU A 96 10.739 9.568 -5.070 1.00 0.00 C ATOM 1450 CG LEU A 96 12.043 9.254 -4.331 1.00 0.00 C ATOM 1451 CD1 LEU A 96 12.949 8.409 -5.229 1.00 0.00 C ATOM 1452 CD2 LEU A 96 12.756 10.562 -3.977 1.00 0.00 C ATOM 0 H LEU A 96 8.679 7.997 -5.355 1.00 0.00 H new ATOM 0 HA LEU A 96 9.887 9.568 -3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.597 8.866 -5.892 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.788 10.565 -5.507 1.00 0.00 H new ATOM 0 HG LEU A 96 11.818 8.702 -3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.877 8.186 -4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 96 12.443 7.478 -5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.173 8.961 -6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 96 13.684 10.339 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 96 12.980 11.113 -4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 96 12.112 11.166 -3.337 1.00 0.00 H new ATOM 1464 N THR A 97 9.016 11.840 -4.299 1.00 0.00 N ATOM 1465 CA THR A 97 8.092 12.989 -4.536 1.00 0.00 C ATOM 1466 C THR A 97 8.704 13.966 -5.542 1.00 0.00 C ATOM 1467 O THR A 97 9.904 14.150 -5.591 1.00 0.00 O ATOM 1468 CB THR A 97 7.931 13.657 -3.169 1.00 0.00 C ATOM 1469 OG1 THR A 97 7.714 12.661 -2.180 1.00 0.00 O ATOM 1470 CG2 THR A 97 6.739 14.614 -3.204 1.00 0.00 C ATOM 0 H THR A 97 9.984 12.096 -4.104 1.00 0.00 H new ATOM 0 HA THR A 97 7.136 12.669 -4.949 1.00 0.00 H new ATOM 0 HB THR A 97 8.835 14.217 -2.929 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.612 13.087 -1.303 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.625 15.089 -2.230 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.908 15.378 -3.963 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.833 14.058 -3.444 1.00 0.00 H new ATOM 1478 N VAL A 98 7.886 14.592 -6.348 1.00 0.00 N ATOM 1479 CA VAL A 98 8.422 15.557 -7.356 1.00 0.00 C ATOM 1480 C VAL A 98 7.465 16.743 -7.526 1.00 0.00 C ATOM 1481 O VAL A 98 6.266 16.613 -7.371 1.00 0.00 O ATOM 1482 CB VAL A 98 8.527 14.757 -8.656 1.00 0.00 C ATOM 1483 CG1 VAL A 98 9.551 13.634 -8.483 1.00 0.00 C ATOM 1484 CG2 VAL A 98 7.164 14.149 -9.000 1.00 0.00 C ATOM 0 H VAL A 98 6.872 14.478 -6.353 1.00 0.00 H new ATOM 0 HA VAL A 98 9.384 15.973 -7.055 1.00 0.00 H new ATOM 0 HB VAL A 98 8.842 15.421 -9.461 1.00 0.00 H new ATOM 0 HG11 VAL A 98 9.626 13.064 -9.409 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.524 14.063 -8.241 1.00 0.00 H new ATOM 0 HG13 VAL A 98 9.234 12.974 -7.675 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.243 13.580 -9.926 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.847 13.488 -8.194 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.431 14.946 -9.125 1.00 0.00 H new ATOM 1494 N HIS A 99 7.989 17.900 -7.844 1.00 0.00 N ATOM 1495 CA HIS A 99 7.114 19.098 -8.025 1.00 0.00 C ATOM 1496 C HIS A 99 6.668 19.216 -9.485 1.00 0.00 C ATOM 1497 O HIS A 99 7.478 19.364 -10.378 1.00 0.00 O ATOM 1498 CB HIS A 99 7.989 20.291 -7.635 1.00 0.00 C ATOM 1499 CG HIS A 99 7.538 20.838 -6.308 1.00 0.00 C ATOM 1500 ND1 HIS A 99 7.529 22.197 -6.033 1.00 0.00 N ATOM 1501 CD2 HIS A 99 7.077 20.223 -5.170 1.00 0.00 C ATOM 1502 CE1 HIS A 99 7.076 22.354 -4.776 1.00 0.00 C ATOM 1503 NE2 HIS A 99 6.786 21.182 -4.204 1.00 0.00 N ATOM 0 H HIS A 99 8.985 18.067 -7.986 1.00 0.00 H new ATOM 0 HA HIS A 99 6.208 19.040 -7.421 1.00 0.00 H new ATOM 0 HB2 HIS A 99 9.033 19.985 -7.577 1.00 0.00 H new ATOM 0 HB3 HIS A 99 7.926 21.066 -8.399 1.00 0.00 H new ATOM 0 HD2 HIS A 99 6.958 19.157 -5.044 1.00 0.00 H new ATOM 0 HE1 HIS A 99 6.961 23.311 -4.289 1.00 0.00 H new ATOM 0 HE2 HIS A 99 6.428 21.024 -3.262 1.00 0.00 H new ATOM 1511 N LEU A 100 5.387 19.156 -9.735 1.00 0.00 N ATOM 1512 CA LEU A 100 4.895 19.266 -11.142 1.00 0.00 C ATOM 1513 C LEU A 100 4.921 20.724 -11.607 1.00 0.00 C ATOM 1514 O LEU A 100 4.759 21.640 -10.824 1.00 0.00 O ATOM 1515 CB LEU A 100 3.458 18.743 -11.106 1.00 0.00 C ATOM 1516 CG LEU A 100 2.935 18.590 -12.537 1.00 0.00 C ATOM 1517 CD1 LEU A 100 2.083 17.322 -12.641 1.00 0.00 C ATOM 1518 CD2 LEU A 100 2.084 19.809 -12.900 1.00 0.00 C ATOM 0 H LEU A 100 4.661 19.036 -9.029 1.00 0.00 H new ATOM 0 HA LEU A 100 5.518 18.702 -11.836 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.422 17.784 -10.590 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.823 19.430 -10.547 1.00 0.00 H new ATOM 0 HG LEU A 100 3.777 18.515 -13.225 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.712 17.216 -13.660 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.690 16.454 -12.383 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.240 17.393 -11.954 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.711 19.702 -13.918 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.243 19.883 -12.211 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.692 20.711 -12.829 1.00 0.00 H new ATOM 1530 N VAL A 101 5.123 20.942 -12.879 1.00 0.00 N ATOM 1531 CA VAL A 101 5.158 22.337 -13.409 1.00 0.00 C ATOM 1532 C VAL A 101 5.193 22.312 -14.941 1.00 0.00 C ATOM 1533 O VAL A 101 5.876 21.505 -15.541 1.00 0.00 O ATOM 1534 CB VAL A 101 6.446 22.947 -12.847 1.00 0.00 C ATOM 1535 CG1 VAL A 101 7.653 22.127 -13.311 1.00 0.00 C ATOM 1536 CG2 VAL A 101 6.588 24.388 -13.344 1.00 0.00 C ATOM 0 H VAL A 101 5.266 20.212 -13.577 1.00 0.00 H new ATOM 0 HA VAL A 101 4.280 22.914 -13.119 1.00 0.00 H new ATOM 0 HB VAL A 101 6.402 22.939 -11.758 1.00 0.00 H new ATOM 0 HG11 VAL A 101 8.567 22.565 -12.909 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.555 21.101 -12.955 1.00 0.00 H new ATOM 0 HG13 VAL A 101 7.698 22.130 -14.400 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.504 24.822 -12.944 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.628 24.395 -14.433 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.732 24.974 -13.009 1.00 0.00 H new ATOM 1546 N ILE A 102 4.461 23.187 -15.576 1.00 0.00 N ATOM 1547 CA ILE A 102 4.454 23.210 -17.069 1.00 0.00 C ATOM 1548 C ILE A 102 5.388 24.312 -17.584 1.00 0.00 C ATOM 1549 O ILE A 102 5.278 25.461 -17.203 1.00 0.00 O ATOM 1550 CB ILE A 102 2.999 23.490 -17.468 1.00 0.00 C ATOM 1551 CG1 ILE A 102 2.599 24.903 -17.026 1.00 0.00 C ATOM 1552 CG2 ILE A 102 2.072 22.466 -16.803 1.00 0.00 C ATOM 1553 CD1 ILE A 102 2.772 25.866 -18.200 1.00 0.00 C ATOM 0 H ILE A 102 3.868 23.886 -15.128 1.00 0.00 H new ATOM 0 HA ILE A 102 4.808 22.272 -17.497 1.00 0.00 H new ATOM 0 HB ILE A 102 2.908 23.412 -18.551 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.564 24.910 -16.684 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.215 25.222 -16.185 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.040 22.669 -17.090 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.347 21.462 -17.126 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.168 22.538 -15.720 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.489 26.872 -17.890 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.814 25.865 -18.521 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.137 25.549 -19.027 1.00 0.00 H new