USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 400 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 546 GLN : amide:sc= -13.5! C(o=-25!,f=-9.4!) USER MOD Set 1.2: A 551 GLN : amide:sc= -11.6! C(o=-25!,f=-12!) USER MOD Single : A 529 HIS : no HD1:sc= -1.06 X(o=-1.1,f=-0.88) USER MOD Single : A 530 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 531 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 533 GLN : amide:sc= -2.54! K(o=-2.5!,f=0) USER MOD Single : A 535 HIS : no HD1:sc= -0.827 K(o=-0.83,f=-2.4) USER MOD Single : A 537 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 542 MET CE :methyl 138:sc= -4.58! (180deg=-6.97!) USER MOD Single : A 543 GLN : amide:sc= -3.16! K(o=-3.2!,f=-1.6) USER MOD Single : A 548 THR OG1 : rot 180:sc= 0 USER MOD Single : A 554 MET CE :methyl 170:sc= 0 (180deg=-0.0916) USER MOD Single : A 559 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 561 GLN : amide:sc= -0.989 K(o=-0.99,f=-0.37) USER MOD Single : A 562 SER OG : rot 180:sc= 0 USER MOD Single : A 567 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 GLN : amide:sc= -0.733 K(o=-0.73,f=-3.8!) USER MOD Single : A 571 GLN : amide:sc= -2.81 K(o=-2.8,f=-5.5!) USER MOD Single : A 572 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 573 SER OG : rot 180:sc= 0 USER MOD Single : A 574 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 529 6.591 -13.138 -7.147 1.00 0.00 N ATOM 2 CA HIS A 529 7.279 -11.879 -7.381 1.00 0.00 C ATOM 3 C HIS A 529 6.274 -10.826 -7.851 1.00 0.00 C ATOM 4 O HIS A 529 6.405 -10.282 -8.946 1.00 0.00 O ATOM 5 CB HIS A 529 8.440 -12.068 -8.359 1.00 0.00 C ATOM 6 CG HIS A 529 8.014 -12.196 -9.802 1.00 0.00 C ATOM 7 ND1 HIS A 529 7.327 -13.296 -10.286 1.00 0.00 N ATOM 8 CD2 HIS A 529 8.183 -11.352 -10.860 1.00 0.00 C ATOM 9 CE1 HIS A 529 7.099 -13.111 -11.578 1.00 0.00 C ATOM 10 NE2 HIS A 529 7.631 -11.906 -11.932 1.00 0.00 N ATOM 0 HA HIS A 529 7.719 -11.522 -6.450 1.00 0.00 H new ATOM 0 HB2 HIS A 529 9.121 -11.222 -8.266 1.00 0.00 H new ATOM 0 HB3 HIS A 529 8.999 -12.960 -8.075 1.00 0.00 H new ATOM 0 HD2 HIS A 529 8.682 -10.395 -10.830 1.00 0.00 H new ATOM 0 HE1 HIS A 529 6.582 -13.795 -12.236 1.00 0.00 H new ATOM 0 HE2 HIS A 529 7.608 -11.498 -12.867 1.00 0.00 H new ATOM 18 N MET A 530 5.292 -10.569 -6.999 1.00 0.00 N ATOM 19 CA MET A 530 4.265 -9.590 -7.313 1.00 0.00 C ATOM 20 C MET A 530 4.859 -8.392 -8.056 1.00 0.00 C ATOM 21 O MET A 530 5.765 -7.731 -7.551 1.00 0.00 O ATOM 22 CB MET A 530 3.603 -9.112 -6.019 1.00 0.00 C ATOM 23 CG MET A 530 2.174 -9.646 -5.904 1.00 0.00 C ATOM 24 SD MET A 530 2.196 -11.322 -5.289 1.00 0.00 S ATOM 25 CE MET A 530 0.687 -11.322 -4.336 1.00 0.00 C ATOM 0 H MET A 530 5.186 -11.022 -6.091 1.00 0.00 H new ATOM 0 HA MET A 530 3.524 -10.062 -7.958 1.00 0.00 H new ATOM 0 HB2 MET A 530 4.189 -9.444 -5.162 1.00 0.00 H new ATOM 0 HB3 MET A 530 3.591 -8.022 -5.994 1.00 0.00 H new ATOM 0 HG2 MET A 530 1.593 -9.012 -5.235 1.00 0.00 H new ATOM 0 HG3 MET A 530 1.685 -9.614 -6.878 1.00 0.00 H new ATOM 0 HE1 MET A 530 0.545 -12.301 -3.879 1.00 0.00 H new ATOM 0 HE2 MET A 530 0.749 -10.563 -3.556 1.00 0.00 H new ATOM 0 HE3 MET A 530 -0.156 -11.101 -4.990 1.00 0.00 H new ATOM 35 N THR A 531 4.324 -8.149 -9.243 1.00 0.00 N ATOM 36 CA THR A 531 4.790 -7.042 -10.061 1.00 0.00 C ATOM 37 C THR A 531 4.964 -5.784 -9.207 1.00 0.00 C ATOM 38 O THR A 531 4.533 -5.747 -8.056 1.00 0.00 O ATOM 39 CB THR A 531 3.804 -6.860 -11.217 1.00 0.00 C ATOM 40 OG1 THR A 531 2.593 -7.435 -10.733 1.00 0.00 O ATOM 41 CG2 THR A 531 4.163 -7.716 -12.433 1.00 0.00 C ATOM 0 H THR A 531 3.572 -8.699 -9.658 1.00 0.00 H new ATOM 0 HA THR A 531 5.773 -7.249 -10.483 1.00 0.00 H new ATOM 0 HB THR A 531 3.776 -5.810 -11.508 1.00 0.00 H new ATOM 0 HG1 THR A 531 1.898 -7.359 -11.419 1.00 0.00 H new ATOM 0 HG21 THR A 531 3.432 -7.549 -13.224 1.00 0.00 H new ATOM 0 HG22 THR A 531 5.155 -7.441 -12.792 1.00 0.00 H new ATOM 0 HG23 THR A 531 4.158 -8.769 -12.151 1.00 0.00 H new ATOM 49 N PRO A 532 5.612 -4.758 -9.821 1.00 0.00 N ATOM 50 CA PRO A 532 5.848 -3.502 -9.130 1.00 0.00 C ATOM 51 C PRO A 532 4.562 -2.678 -9.035 1.00 0.00 C ATOM 52 O PRO A 532 4.457 -1.780 -8.201 1.00 0.00 O ATOM 53 CB PRO A 532 6.939 -2.811 -9.932 1.00 0.00 C ATOM 54 CG PRO A 532 6.945 -3.485 -11.294 1.00 0.00 C ATOM 55 CD PRO A 532 6.135 -4.766 -11.184 1.00 0.00 C ATOM 0 HA PRO A 532 6.161 -3.643 -8.096 1.00 0.00 H new ATOM 0 HB2 PRO A 532 6.739 -1.744 -10.025 1.00 0.00 H new ATOM 0 HB3 PRO A 532 7.907 -2.912 -9.442 1.00 0.00 H new ATOM 0 HG2 PRO A 532 6.516 -2.825 -12.048 1.00 0.00 H new ATOM 0 HG3 PRO A 532 7.966 -3.705 -11.607 1.00 0.00 H new ATOM 0 HD2 PRO A 532 5.329 -4.789 -11.917 1.00 0.00 H new ATOM 0 HD3 PRO A 532 6.756 -5.644 -11.365 1.00 0.00 H new ATOM 63 N GLN A 533 3.617 -3.014 -9.901 1.00 0.00 N ATOM 64 CA GLN A 533 2.343 -2.316 -9.925 1.00 0.00 C ATOM 65 C GLN A 533 1.531 -2.651 -8.672 1.00 0.00 C ATOM 66 O GLN A 533 0.875 -1.781 -8.102 1.00 0.00 O ATOM 67 CB GLN A 533 1.557 -2.653 -11.194 1.00 0.00 C ATOM 68 CG GLN A 533 0.113 -2.158 -11.092 1.00 0.00 C ATOM 69 CD GLN A 533 -0.874 -3.320 -11.215 1.00 0.00 C ATOM 70 OE1 GLN A 533 -1.649 -3.414 -12.153 1.00 0.00 O ATOM 71 NE2 GLN A 533 -0.804 -4.198 -10.218 1.00 0.00 N ATOM 0 H GLN A 533 3.708 -3.760 -10.591 1.00 0.00 H new ATOM 0 HA GLN A 533 2.538 -1.244 -9.932 1.00 0.00 H new ATOM 0 HB2 GLN A 533 2.041 -2.197 -12.058 1.00 0.00 H new ATOM 0 HB3 GLN A 533 1.565 -3.731 -11.356 1.00 0.00 H new ATOM 0 HG2 GLN A 533 -0.035 -1.650 -10.139 1.00 0.00 H new ATOM 0 HG3 GLN A 533 -0.081 -1.427 -11.877 1.00 0.00 H new ATOM 0 HE21 GLN A 533 -0.132 -4.060 -9.463 1.00 0.00 H new ATOM 0 HE22 GLN A 533 -1.422 -5.009 -10.209 1.00 0.00 H new ATOM 80 N ASP A 534 1.601 -3.915 -8.280 1.00 0.00 N ATOM 81 CA ASP A 534 0.881 -4.376 -7.106 1.00 0.00 C ATOM 82 C ASP A 534 1.452 -3.693 -5.862 1.00 0.00 C ATOM 83 O ASP A 534 0.714 -3.372 -4.931 1.00 0.00 O ATOM 84 CB ASP A 534 1.030 -5.888 -6.926 1.00 0.00 C ATOM 85 CG ASP A 534 -0.036 -6.543 -6.046 1.00 0.00 C ATOM 86 OD1 ASP A 534 -1.200 -6.585 -6.500 1.00 0.00 O ATOM 87 OD2 ASP A 534 0.337 -6.987 -4.938 1.00 0.00 O ATOM 0 H ASP A 534 2.146 -4.634 -8.755 1.00 0.00 H new ATOM 0 HA ASP A 534 -0.173 -4.131 -7.240 1.00 0.00 H new ATOM 0 HB2 ASP A 534 1.008 -6.359 -7.909 1.00 0.00 H new ATOM 0 HB3 ASP A 534 2.010 -6.093 -6.496 1.00 0.00 H new ATOM 92 N HIS A 535 2.761 -3.491 -5.885 1.00 0.00 N ATOM 93 CA HIS A 535 3.440 -2.852 -4.771 1.00 0.00 C ATOM 94 C HIS A 535 3.198 -1.342 -4.821 1.00 0.00 C ATOM 95 O HIS A 535 3.179 -0.678 -3.785 1.00 0.00 O ATOM 96 CB HIS A 535 4.926 -3.214 -4.760 1.00 0.00 C ATOM 97 CG HIS A 535 5.196 -4.699 -4.700 1.00 0.00 C ATOM 98 ND1 HIS A 535 4.454 -5.564 -3.914 1.00 0.00 N ATOM 99 CD2 HIS A 535 6.131 -5.461 -5.336 1.00 0.00 C ATOM 100 CE1 HIS A 535 4.931 -6.790 -4.077 1.00 0.00 C ATOM 101 NE2 HIS A 535 5.971 -6.724 -4.958 1.00 0.00 N ATOM 0 H HIS A 535 3.370 -3.759 -6.658 1.00 0.00 H new ATOM 0 HA HIS A 535 3.029 -3.220 -3.831 1.00 0.00 H new ATOM 0 HB2 HIS A 535 5.396 -2.806 -5.655 1.00 0.00 H new ATOM 0 HB3 HIS A 535 5.400 -2.734 -3.904 1.00 0.00 H new ATOM 0 HD2 HIS A 535 6.875 -5.099 -6.030 1.00 0.00 H new ATOM 0 HE1 HIS A 535 4.561 -7.684 -3.597 1.00 0.00 H new ATOM 0 HE2 HIS A 535 6.533 -7.514 -5.274 1.00 0.00 H new ATOM 109 N GLU A 536 3.020 -0.843 -6.035 1.00 0.00 N ATOM 110 CA GLU A 536 2.781 0.576 -6.234 1.00 0.00 C ATOM 111 C GLU A 536 1.298 0.898 -6.033 1.00 0.00 C ATOM 112 O GLU A 536 0.871 2.031 -6.246 1.00 0.00 O ATOM 113 CB GLU A 536 3.257 1.025 -7.617 1.00 0.00 C ATOM 114 CG GLU A 536 2.101 1.030 -8.619 1.00 0.00 C ATOM 115 CD GLU A 536 1.478 2.423 -8.731 1.00 0.00 C ATOM 116 OE1 GLU A 536 2.196 3.393 -8.407 1.00 0.00 O ATOM 117 OE2 GLU A 536 0.298 2.486 -9.138 1.00 0.00 O ATOM 0 H GLU A 536 3.037 -1.397 -6.892 1.00 0.00 H new ATOM 0 HA GLU A 536 3.357 1.128 -5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 536 3.690 2.023 -7.550 1.00 0.00 H new ATOM 0 HB3 GLU A 536 4.045 0.359 -7.968 1.00 0.00 H new ATOM 0 HG2 GLU A 536 2.461 0.709 -9.597 1.00 0.00 H new ATOM 0 HG3 GLU A 536 1.342 0.312 -8.308 1.00 0.00 H new ATOM 124 N LYS A 537 0.555 -0.120 -5.625 1.00 0.00 N ATOM 125 CA LYS A 537 -0.871 0.040 -5.394 1.00 0.00 C ATOM 126 C LYS A 537 -1.089 1.023 -4.242 1.00 0.00 C ATOM 127 O LYS A 537 -2.151 1.635 -4.137 1.00 0.00 O ATOM 128 CB LYS A 537 -1.534 -1.322 -5.173 1.00 0.00 C ATOM 129 CG LYS A 537 -1.823 -2.013 -6.507 1.00 0.00 C ATOM 130 CD LYS A 537 -3.273 -1.787 -6.939 1.00 0.00 C ATOM 131 CE LYS A 537 -3.339 -1.053 -8.279 1.00 0.00 C ATOM 132 NZ LYS A 537 -4.478 -1.546 -9.085 1.00 0.00 N ATOM 0 H LYS A 537 0.913 -1.059 -5.448 1.00 0.00 H new ATOM 0 HA LYS A 537 -1.354 0.466 -6.274 1.00 0.00 H new ATOM 0 HB2 LYS A 537 -0.885 -1.953 -4.566 1.00 0.00 H new ATOM 0 HB3 LYS A 537 -2.463 -1.193 -4.617 1.00 0.00 H new ATOM 0 HG2 LYS A 537 -1.148 -1.630 -7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 537 -1.629 -3.082 -6.416 1.00 0.00 H new ATOM 0 HD2 LYS A 537 -3.785 -2.746 -7.020 1.00 0.00 H new ATOM 0 HD3 LYS A 537 -3.797 -1.209 -6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 537 -3.443 0.019 -8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 537 -2.408 -1.199 -8.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 537 -4.508 -1.037 -9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 537 -4.362 -2.564 -9.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 537 -5.365 -1.384 -8.567 1.00 0.00 H new ATOM 146 N ALA A 538 -0.066 1.145 -3.409 1.00 0.00 N ATOM 147 CA ALA A 538 -0.133 2.044 -2.269 1.00 0.00 C ATOM 148 C ALA A 538 -0.160 3.490 -2.767 1.00 0.00 C ATOM 149 O ALA A 538 -0.796 4.349 -2.157 1.00 0.00 O ATOM 150 CB ALA A 538 1.047 1.771 -1.334 1.00 0.00 C ATOM 0 H ALA A 538 0.814 0.637 -3.501 1.00 0.00 H new ATOM 0 HA ALA A 538 -1.047 1.875 -1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 538 0.997 2.445 -0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 538 1.004 0.739 -0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 538 1.982 1.934 -1.871 1.00 0.00 H new ATOM 156 N ALA A 539 0.537 3.716 -3.871 1.00 0.00 N ATOM 157 CA ALA A 539 0.601 5.044 -4.457 1.00 0.00 C ATOM 158 C ALA A 539 -0.816 5.523 -4.778 1.00 0.00 C ATOM 159 O ALA A 539 -1.131 6.700 -4.605 1.00 0.00 O ATOM 160 CB ALA A 539 1.500 5.013 -5.695 1.00 0.00 C ATOM 0 H ALA A 539 1.062 3.002 -4.375 1.00 0.00 H new ATOM 0 HA ALA A 539 1.038 5.753 -3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 539 1.548 6.009 -6.135 1.00 0.00 H new ATOM 0 HB2 ALA A 539 2.502 4.694 -5.409 1.00 0.00 H new ATOM 0 HB3 ALA A 539 1.091 4.314 -6.424 1.00 0.00 H new ATOM 166 N LEU A 540 -1.633 4.588 -5.239 1.00 0.00 N ATOM 167 CA LEU A 540 -3.009 4.900 -5.586 1.00 0.00 C ATOM 168 C LEU A 540 -3.788 5.234 -4.312 1.00 0.00 C ATOM 169 O LEU A 540 -4.692 6.068 -4.334 1.00 0.00 O ATOM 170 CB LEU A 540 -3.627 3.764 -6.404 1.00 0.00 C ATOM 171 CG LEU A 540 -5.131 3.550 -6.225 1.00 0.00 C ATOM 172 CD1 LEU A 540 -5.915 4.796 -6.643 1.00 0.00 C ATOM 173 CD2 LEU A 540 -5.600 2.300 -6.973 1.00 0.00 C ATOM 0 H LEU A 540 -1.368 3.613 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 540 -3.050 5.781 -6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 540 -3.430 3.954 -7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 540 -3.115 2.837 -6.146 1.00 0.00 H new ATOM 0 HG LEU A 540 -5.329 3.385 -5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 540 -6.982 4.618 -6.506 1.00 0.00 H new ATOM 0 HD12 LEU A 540 -5.607 5.643 -6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 540 -5.716 5.016 -7.692 1.00 0.00 H new ATOM 0 HD21 LEU A 540 -6.673 2.171 -6.829 1.00 0.00 H new ATOM 0 HD22 LEU A 540 -5.387 2.411 -8.036 1.00 0.00 H new ATOM 0 HD23 LEU A 540 -5.075 1.426 -6.587 1.00 0.00 H new ATOM 185 N ILE A 541 -3.408 4.567 -3.232 1.00 0.00 N ATOM 186 CA ILE A 541 -4.059 4.784 -1.951 1.00 0.00 C ATOM 187 C ILE A 541 -3.291 5.849 -1.166 1.00 0.00 C ATOM 188 O ILE A 541 -3.695 6.227 -0.068 1.00 0.00 O ATOM 189 CB ILE A 541 -4.216 3.460 -1.200 1.00 0.00 C ATOM 190 CG1 ILE A 541 -5.199 2.534 -1.919 1.00 0.00 C ATOM 191 CG2 ILE A 541 -4.617 3.701 0.257 1.00 0.00 C ATOM 192 CD1 ILE A 541 -4.535 1.204 -2.280 1.00 0.00 C ATOM 0 H ILE A 541 -2.658 3.876 -3.218 1.00 0.00 H new ATOM 0 HA ILE A 541 -5.070 5.164 -2.097 1.00 0.00 H new ATOM 0 HB ILE A 541 -3.249 2.957 -1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 541 -6.064 2.351 -1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 541 -5.566 3.019 -2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 541 -4.722 2.744 0.768 1.00 0.00 H new ATOM 0 HG22 ILE A 541 -3.849 4.295 0.752 1.00 0.00 H new ATOM 0 HG23 ILE A 541 -5.566 4.236 0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 541 -5.255 0.564 -2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 541 -3.685 1.388 -2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 541 -4.191 0.710 -1.371 1.00 0.00 H new ATOM 204 N MET A 542 -2.197 6.302 -1.761 1.00 0.00 N ATOM 205 CA MET A 542 -1.369 7.316 -1.131 1.00 0.00 C ATOM 206 C MET A 542 -2.119 8.645 -1.020 1.00 0.00 C ATOM 207 O MET A 542 -1.974 9.362 -0.031 1.00 0.00 O ATOM 208 CB MET A 542 -0.094 7.517 -1.953 1.00 0.00 C ATOM 209 CG MET A 542 0.811 8.572 -1.313 1.00 0.00 C ATOM 210 SD MET A 542 1.444 9.674 -2.567 1.00 0.00 S ATOM 211 CE MET A 542 -0.079 10.424 -3.118 1.00 0.00 C ATOM 0 H MET A 542 -1.865 5.986 -2.672 1.00 0.00 H new ATOM 0 HA MET A 542 -1.115 6.978 -0.126 1.00 0.00 H new ATOM 0 HB2 MET A 542 0.444 6.572 -2.034 1.00 0.00 H new ATOM 0 HB3 MET A 542 -0.355 7.823 -2.966 1.00 0.00 H new ATOM 0 HG2 MET A 542 0.253 9.138 -0.568 1.00 0.00 H new ATOM 0 HG3 MET A 542 1.637 8.087 -0.792 1.00 0.00 H new ATOM 0 HE1 MET A 542 0.073 11.494 -3.262 1.00 0.00 H new ATOM 0 HE2 MET A 542 -0.387 9.972 -4.061 1.00 0.00 H new ATOM 0 HE3 MET A 542 -0.855 10.265 -2.369 1.00 0.00 H new ATOM 221 N GLN A 543 -2.904 8.933 -2.047 1.00 0.00 N ATOM 222 CA GLN A 543 -3.677 10.163 -2.077 1.00 0.00 C ATOM 223 C GLN A 543 -4.705 10.171 -0.944 1.00 0.00 C ATOM 224 O GLN A 543 -4.924 11.200 -0.307 1.00 0.00 O ATOM 225 CB GLN A 543 -4.355 10.351 -3.435 1.00 0.00 C ATOM 226 CG GLN A 543 -5.162 9.110 -3.822 1.00 0.00 C ATOM 227 CD GLN A 543 -4.892 8.711 -5.274 1.00 0.00 C ATOM 228 OE1 GLN A 543 -5.679 8.964 -6.171 1.00 0.00 O ATOM 229 NE2 GLN A 543 -3.738 8.075 -5.455 1.00 0.00 N ATOM 0 H GLN A 543 -3.022 8.335 -2.865 1.00 0.00 H new ATOM 0 HA GLN A 543 -2.996 11.001 -1.929 1.00 0.00 H new ATOM 0 HB2 GLN A 543 -5.012 11.220 -3.400 1.00 0.00 H new ATOM 0 HB3 GLN A 543 -3.602 10.551 -4.197 1.00 0.00 H new ATOM 0 HG2 GLN A 543 -4.904 8.283 -3.160 1.00 0.00 H new ATOM 0 HG3 GLN A 543 -6.226 9.307 -3.687 1.00 0.00 H new ATOM 0 HE21 GLN A 543 -3.125 7.895 -4.660 1.00 0.00 H new ATOM 0 HE22 GLN A 543 -3.466 7.767 -6.389 1.00 0.00 H new ATOM 238 N VAL A 544 -5.310 9.012 -0.729 1.00 0.00 N ATOM 239 CA VAL A 544 -6.310 8.873 0.316 1.00 0.00 C ATOM 240 C VAL A 544 -5.653 9.103 1.679 1.00 0.00 C ATOM 241 O VAL A 544 -6.291 9.606 2.602 1.00 0.00 O ATOM 242 CB VAL A 544 -6.996 7.509 0.205 1.00 0.00 C ATOM 243 CG1 VAL A 544 -8.005 7.310 1.338 1.00 0.00 C ATOM 244 CG2 VAL A 544 -7.664 7.341 -1.161 1.00 0.00 C ATOM 0 H VAL A 544 -5.127 8.161 -1.260 1.00 0.00 H new ATOM 0 HA VAL A 544 -7.090 9.625 0.201 1.00 0.00 H new ATOM 0 HB VAL A 544 -6.230 6.739 0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 544 -8.478 6.334 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 544 -7.491 7.366 2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 544 -8.766 8.089 1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 544 -8.144 6.364 -1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 544 -8.413 8.121 -1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 544 -6.912 7.419 -1.946 1.00 0.00 H new ATOM 254 N LEU A 545 -4.387 8.723 1.761 1.00 0.00 N ATOM 255 CA LEU A 545 -3.637 8.881 2.996 1.00 0.00 C ATOM 256 C LEU A 545 -3.350 10.367 3.226 1.00 0.00 C ATOM 257 O LEU A 545 -4.219 11.106 3.686 1.00 0.00 O ATOM 258 CB LEU A 545 -2.380 8.009 2.975 1.00 0.00 C ATOM 259 CG LEU A 545 -2.569 6.551 3.400 1.00 0.00 C ATOM 260 CD1 LEU A 545 -1.888 5.600 2.414 1.00 0.00 C ATOM 261 CD2 LEU A 545 -2.086 6.331 4.835 1.00 0.00 C ATOM 0 H LEU A 545 -3.861 8.306 0.993 1.00 0.00 H new ATOM 0 HA LEU A 545 -4.224 8.533 3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -1.969 8.022 1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 545 -1.635 8.464 3.628 1.00 0.00 H new ATOM 0 HG LEU A 545 -3.635 6.325 3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -2.037 4.570 2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -2.320 5.734 1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 545 -0.821 5.817 2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -2.232 5.287 5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 545 -1.027 6.581 4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -2.655 6.969 5.512 1.00 0.00 H new ATOM 273 N GLN A 546 -2.129 10.759 2.895 1.00 0.00 N ATOM 274 CA GLN A 546 -1.717 12.142 3.061 1.00 0.00 C ATOM 275 C GLN A 546 -1.644 12.841 1.701 1.00 0.00 C ATOM 276 O GLN A 546 -1.775 14.061 1.618 1.00 0.00 O ATOM 277 CB GLN A 546 -0.378 12.232 3.795 1.00 0.00 C ATOM 278 CG GLN A 546 -0.028 10.900 4.462 1.00 0.00 C ATOM 279 CD GLN A 546 0.742 9.992 3.501 1.00 0.00 C ATOM 280 OE1 GLN A 546 1.421 9.059 3.898 1.00 0.00 O ATOM 281 NE2 GLN A 546 0.599 10.315 2.219 1.00 0.00 N ATOM 0 H GLN A 546 -1.412 10.143 2.513 1.00 0.00 H new ATOM 0 HA GLN A 546 -2.463 12.651 3.671 1.00 0.00 H new ATOM 0 HB2 GLN A 546 0.408 12.509 3.092 1.00 0.00 H new ATOM 0 HB3 GLN A 546 -0.424 13.019 4.548 1.00 0.00 H new ATOM 0 HG2 GLN A 546 0.571 11.082 5.354 1.00 0.00 H new ATOM 0 HG3 GLN A 546 -0.941 10.401 4.787 1.00 0.00 H new ATOM 0 HE21 GLN A 546 0.015 11.109 1.955 1.00 0.00 H new ATOM 0 HE22 GLN A 546 1.073 9.769 1.500 1.00 0.00 H new ATOM 290 N LEU A 547 -1.437 12.036 0.669 1.00 0.00 N ATOM 291 CA LEU A 547 -1.346 12.561 -0.683 1.00 0.00 C ATOM 292 C LEU A 547 -0.071 13.397 -0.816 1.00 0.00 C ATOM 293 O LEU A 547 -0.135 14.596 -1.083 1.00 0.00 O ATOM 294 CB LEU A 547 -2.621 13.323 -1.049 1.00 0.00 C ATOM 295 CG LEU A 547 -2.630 13.996 -2.423 1.00 0.00 C ATOM 296 CD1 LEU A 547 -3.662 13.344 -3.346 1.00 0.00 C ATOM 297 CD2 LEU A 547 -2.848 15.504 -2.294 1.00 0.00 C ATOM 0 H LEU A 547 -1.330 11.024 0.742 1.00 0.00 H new ATOM 0 HA LEU A 547 -1.271 11.746 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 547 -3.461 12.630 -1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 547 -2.794 14.087 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 547 -1.651 13.851 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 547 -3.648 13.841 -4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 547 -3.420 12.289 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 547 -4.655 13.437 -2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 547 -2.850 15.957 -3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 547 -3.804 15.693 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 547 -2.045 15.938 -1.698 1.00 0.00 H new ATOM 309 N THR A 548 1.058 12.731 -0.622 1.00 0.00 N ATOM 310 CA THR A 548 2.346 13.397 -0.717 1.00 0.00 C ATOM 311 C THR A 548 3.341 12.527 -1.487 1.00 0.00 C ATOM 312 O THR A 548 4.008 13.004 -2.404 1.00 0.00 O ATOM 313 CB THR A 548 2.807 13.738 0.701 1.00 0.00 C ATOM 314 OG1 THR A 548 2.130 14.955 1.004 1.00 0.00 O ATOM 315 CG2 THR A 548 4.290 14.112 0.761 1.00 0.00 C ATOM 0 H THR A 548 1.107 11.737 -0.399 1.00 0.00 H new ATOM 0 HA THR A 548 2.270 14.326 -1.282 1.00 0.00 H new ATOM 0 HB THR A 548 2.620 12.888 1.357 1.00 0.00 H new ATOM 0 HG1 THR A 548 2.371 15.247 1.908 1.00 0.00 H new ATOM 0 HG21 THR A 548 4.565 14.345 1.790 1.00 0.00 H new ATOM 0 HG22 THR A 548 4.891 13.275 0.405 1.00 0.00 H new ATOM 0 HG23 THR A 548 4.471 14.983 0.131 1.00 0.00 H new ATOM 323 N ALA A 549 3.409 11.266 -1.086 1.00 0.00 N ATOM 324 CA ALA A 549 4.312 10.325 -1.727 1.00 0.00 C ATOM 325 C ALA A 549 5.689 10.416 -1.068 1.00 0.00 C ATOM 326 O ALA A 549 6.491 9.489 -1.166 1.00 0.00 O ATOM 327 CB ALA A 549 4.365 10.611 -3.230 1.00 0.00 C ATOM 0 H ALA A 549 2.854 10.874 -0.325 1.00 0.00 H new ATOM 0 HA ALA A 549 3.953 9.303 -1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 549 5.042 9.905 -3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 549 3.367 10.504 -3.656 1.00 0.00 H new ATOM 0 HB3 ALA A 549 4.723 11.627 -3.395 1.00 0.00 H new ATOM 333 N ASP A 550 5.922 11.543 -0.410 1.00 0.00 N ATOM 334 CA ASP A 550 7.189 11.767 0.266 1.00 0.00 C ATOM 335 C ASP A 550 7.329 10.773 1.420 1.00 0.00 C ATOM 336 O ASP A 550 8.379 10.154 1.587 1.00 0.00 O ATOM 337 CB ASP A 550 7.260 13.180 0.848 1.00 0.00 C ATOM 338 CG ASP A 550 8.674 13.736 1.023 1.00 0.00 C ATOM 339 OD1 ASP A 550 9.612 13.063 0.546 1.00 0.00 O ATOM 340 OD2 ASP A 550 8.785 14.823 1.632 1.00 0.00 O ATOM 0 H ASP A 550 5.255 12.310 -0.331 1.00 0.00 H new ATOM 0 HA ASP A 550 7.988 11.637 -0.464 1.00 0.00 H new ATOM 0 HB2 ASP A 550 6.699 13.853 0.199 1.00 0.00 H new ATOM 0 HB3 ASP A 550 6.762 13.183 1.818 1.00 0.00 H new ATOM 345 N GLN A 551 6.256 10.650 2.187 1.00 0.00 N ATOM 346 CA GLN A 551 6.246 9.741 3.321 1.00 0.00 C ATOM 347 C GLN A 551 6.281 8.290 2.838 1.00 0.00 C ATOM 348 O GLN A 551 6.953 7.450 3.434 1.00 0.00 O ATOM 349 CB GLN A 551 5.030 9.993 4.215 1.00 0.00 C ATOM 350 CG GLN A 551 4.698 11.485 4.282 1.00 0.00 C ATOM 351 CD GLN A 551 3.323 11.769 3.672 1.00 0.00 C ATOM 352 OE1 GLN A 551 2.556 12.583 4.159 1.00 0.00 O ATOM 353 NE2 GLN A 551 3.057 11.053 2.583 1.00 0.00 N ATOM 0 H GLN A 551 5.387 11.165 2.046 1.00 0.00 H new ATOM 0 HA GLN A 551 7.139 9.926 3.918 1.00 0.00 H new ATOM 0 HB2 GLN A 551 4.171 9.443 3.830 1.00 0.00 H new ATOM 0 HB3 GLN A 551 5.227 9.615 5.218 1.00 0.00 H new ATOM 0 HG2 GLN A 551 4.716 11.819 5.319 1.00 0.00 H new ATOM 0 HG3 GLN A 551 5.460 12.055 3.751 1.00 0.00 H new ATOM 0 HE21 GLN A 551 3.745 10.388 2.229 1.00 0.00 H new ATOM 0 HE22 GLN A 551 2.165 11.169 2.102 1.00 0.00 H new ATOM 362 N ILE A 552 5.548 8.040 1.763 1.00 0.00 N ATOM 363 CA ILE A 552 5.486 6.704 1.194 1.00 0.00 C ATOM 364 C ILE A 552 6.791 6.410 0.452 1.00 0.00 C ATOM 365 O ILE A 552 7.199 5.255 0.340 1.00 0.00 O ATOM 366 CB ILE A 552 4.236 6.550 0.325 1.00 0.00 C ATOM 367 CG1 ILE A 552 2.982 6.407 1.189 1.00 0.00 C ATOM 368 CG2 ILE A 552 4.392 5.386 -0.657 1.00 0.00 C ATOM 369 CD1 ILE A 552 2.556 4.941 1.300 1.00 0.00 C ATOM 0 H ILE A 552 4.992 8.740 1.271 1.00 0.00 H new ATOM 0 HA ILE A 552 5.392 5.957 1.983 1.00 0.00 H new ATOM 0 HB ILE A 552 4.117 7.457 -0.267 1.00 0.00 H new ATOM 0 HG12 ILE A 552 3.173 6.810 2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 552 2.171 6.994 0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 552 3.490 5.298 -1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 552 5.248 5.570 -1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 552 4.549 4.461 -0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 552 1.662 4.868 1.920 1.00 0.00 H new ATOM 0 HD12 ILE A 552 2.342 4.548 0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 552 3.360 4.362 1.754 1.00 0.00 H new ATOM 381 N ALA A 553 7.410 7.475 -0.036 1.00 0.00 N ATOM 382 CA ALA A 553 8.661 7.346 -0.764 1.00 0.00 C ATOM 383 C ALA A 553 9.740 6.805 0.176 1.00 0.00 C ATOM 384 O ALA A 553 10.569 5.991 -0.228 1.00 0.00 O ATOM 385 CB ALA A 553 9.041 8.698 -1.371 1.00 0.00 C ATOM 0 H ALA A 553 7.068 8.431 0.059 1.00 0.00 H new ATOM 0 HA ALA A 553 8.555 6.638 -1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 553 9.979 8.601 -1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 553 8.256 9.024 -2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 553 9.159 9.434 -0.576 1.00 0.00 H new ATOM 391 N MET A 554 9.694 7.278 1.413 1.00 0.00 N ATOM 392 CA MET A 554 10.657 6.852 2.413 1.00 0.00 C ATOM 393 C MET A 554 10.263 5.501 3.014 1.00 0.00 C ATOM 394 O MET A 554 10.989 4.948 3.838 1.00 0.00 O ATOM 395 CB MET A 554 10.737 7.901 3.525 1.00 0.00 C ATOM 396 CG MET A 554 9.401 8.022 4.261 1.00 0.00 C ATOM 397 SD MET A 554 9.668 8.658 5.908 1.00 0.00 S ATOM 398 CE MET A 554 10.204 10.315 5.516 1.00 0.00 C ATOM 0 H MET A 554 9.004 7.952 1.745 1.00 0.00 H new ATOM 0 HA MET A 554 11.629 6.745 1.931 1.00 0.00 H new ATOM 0 HB2 MET A 554 11.522 7.629 4.231 1.00 0.00 H new ATOM 0 HB3 MET A 554 11.011 8.867 3.100 1.00 0.00 H new ATOM 0 HG2 MET A 554 8.732 8.683 3.711 1.00 0.00 H new ATOM 0 HG3 MET A 554 8.915 7.048 4.313 1.00 0.00 H new ATOM 0 HE1 MET A 554 10.244 10.910 6.429 1.00 0.00 H new ATOM 0 HE2 MET A 554 11.194 10.279 5.062 1.00 0.00 H new ATOM 0 HE3 MET A 554 9.501 10.769 4.818 1.00 0.00 H new ATOM 408 N LEU A 555 9.113 5.008 2.577 1.00 0.00 N ATOM 409 CA LEU A 555 8.613 3.733 3.061 1.00 0.00 C ATOM 410 C LEU A 555 9.197 2.605 2.207 1.00 0.00 C ATOM 411 O LEU A 555 9.445 2.787 1.016 1.00 0.00 O ATOM 412 CB LEU A 555 7.084 3.740 3.109 1.00 0.00 C ATOM 413 CG LEU A 555 6.454 4.461 4.302 1.00 0.00 C ATOM 414 CD1 LEU A 555 4.944 4.617 4.113 1.00 0.00 C ATOM 415 CD2 LEU A 555 6.797 3.753 5.614 1.00 0.00 C ATOM 0 H LEU A 555 8.513 5.469 1.893 1.00 0.00 H new ATOM 0 HA LEU A 555 8.939 3.560 4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 555 6.714 4.202 2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 555 6.735 2.707 3.109 1.00 0.00 H new ATOM 0 HG LEU A 555 6.877 5.464 4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 555 4.521 5.133 4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 555 4.748 5.197 3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 555 4.486 3.633 4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 555 6.337 4.286 6.446 1.00 0.00 H new ATOM 0 HD22 LEU A 555 6.420 2.731 5.585 1.00 0.00 H new ATOM 0 HD23 LEU A 555 7.879 3.737 5.747 1.00 0.00 H new ATOM 427 N PRO A 556 9.404 1.434 2.867 1.00 0.00 N ATOM 428 CA PRO A 556 9.954 0.276 2.182 1.00 0.00 C ATOM 429 C PRO A 556 8.904 -0.377 1.281 1.00 0.00 C ATOM 430 O PRO A 556 7.737 0.012 1.297 1.00 0.00 O ATOM 431 CB PRO A 556 10.440 -0.643 3.290 1.00 0.00 C ATOM 432 CG PRO A 556 9.731 -0.184 4.554 1.00 0.00 C ATOM 433 CD PRO A 556 9.123 1.181 4.277 1.00 0.00 C ATOM 0 HA PRO A 556 10.772 0.534 1.510 1.00 0.00 H new ATOM 0 HB2 PRO A 556 10.204 -1.683 3.066 1.00 0.00 H new ATOM 0 HB3 PRO A 556 11.522 -0.579 3.404 1.00 0.00 H new ATOM 0 HG2 PRO A 556 8.956 -0.897 4.838 1.00 0.00 H new ATOM 0 HG3 PRO A 556 10.433 -0.128 5.386 1.00 0.00 H new ATOM 0 HD2 PRO A 556 8.051 1.184 4.474 1.00 0.00 H new ATOM 0 HD3 PRO A 556 9.566 1.948 4.913 1.00 0.00 H new ATOM 441 N PRO A 557 9.368 -1.386 0.496 1.00 0.00 N ATOM 442 CA PRO A 557 8.482 -2.097 -0.410 1.00 0.00 C ATOM 443 C PRO A 557 7.576 -3.064 0.355 1.00 0.00 C ATOM 444 O PRO A 557 6.393 -3.189 0.044 1.00 0.00 O ATOM 445 CB PRO A 557 9.406 -2.801 -1.392 1.00 0.00 C ATOM 446 CG PRO A 557 10.772 -2.837 -0.726 1.00 0.00 C ATOM 447 CD PRO A 557 10.743 -1.875 0.450 1.00 0.00 C ATOM 0 HA PRO A 557 7.796 -1.432 -0.935 1.00 0.00 H new ATOM 0 HB2 PRO A 557 9.051 -3.808 -1.609 1.00 0.00 H new ATOM 0 HB3 PRO A 557 9.448 -2.266 -2.341 1.00 0.00 H new ATOM 0 HG2 PRO A 557 11.005 -3.847 -0.388 1.00 0.00 H new ATOM 0 HG3 PRO A 557 11.550 -2.551 -1.434 1.00 0.00 H new ATOM 0 HD2 PRO A 557 11.016 -2.376 1.378 1.00 0.00 H new ATOM 0 HD3 PRO A 557 11.450 -1.057 0.310 1.00 0.00 H new ATOM 455 N GLU A 558 8.166 -3.723 1.341 1.00 0.00 N ATOM 456 CA GLU A 558 7.427 -4.674 2.154 1.00 0.00 C ATOM 457 C GLU A 558 6.366 -3.950 2.985 1.00 0.00 C ATOM 458 O GLU A 558 5.532 -4.589 3.626 1.00 0.00 O ATOM 459 CB GLU A 558 8.370 -5.479 3.050 1.00 0.00 C ATOM 460 CG GLU A 558 7.723 -6.797 3.483 1.00 0.00 C ATOM 461 CD GLU A 558 7.503 -7.720 2.283 1.00 0.00 C ATOM 462 OE1 GLU A 558 8.493 -8.365 1.873 1.00 0.00 O ATOM 463 OE2 GLU A 558 6.350 -7.760 1.802 1.00 0.00 O ATOM 0 H GLU A 558 9.148 -3.617 1.596 1.00 0.00 H new ATOM 0 HA GLU A 558 6.923 -5.376 1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 558 9.298 -5.683 2.516 1.00 0.00 H new ATOM 0 HB3 GLU A 558 8.631 -4.891 3.930 1.00 0.00 H new ATOM 0 HG2 GLU A 558 8.358 -7.294 4.217 1.00 0.00 H new ATOM 0 HG3 GLU A 558 6.769 -6.595 3.971 1.00 0.00 H new ATOM 470 N GLN A 559 6.431 -2.628 2.947 1.00 0.00 N ATOM 471 CA GLN A 559 5.486 -1.810 3.688 1.00 0.00 C ATOM 472 C GLN A 559 4.539 -1.088 2.727 1.00 0.00 C ATOM 473 O GLN A 559 3.349 -0.954 3.006 1.00 0.00 O ATOM 474 CB GLN A 559 6.214 -0.814 4.592 1.00 0.00 C ATOM 475 CG GLN A 559 6.488 -1.421 5.969 1.00 0.00 C ATOM 476 CD GLN A 559 5.903 -0.546 7.081 1.00 0.00 C ATOM 477 OE1 GLN A 559 6.598 0.202 7.747 1.00 0.00 O ATOM 478 NE2 GLN A 559 4.590 -0.682 7.242 1.00 0.00 N ATOM 0 H GLN A 559 7.124 -2.102 2.414 1.00 0.00 H new ATOM 0 HA GLN A 559 4.893 -2.464 4.327 1.00 0.00 H new ATOM 0 HB2 GLN A 559 7.155 -0.517 4.128 1.00 0.00 H new ATOM 0 HB3 GLN A 559 5.613 0.089 4.702 1.00 0.00 H new ATOM 0 HG2 GLN A 559 6.056 -2.420 6.022 1.00 0.00 H new ATOM 0 HG3 GLN A 559 7.563 -1.530 6.115 1.00 0.00 H new ATOM 0 HE21 GLN A 559 4.068 -1.327 6.649 1.00 0.00 H new ATOM 0 HE22 GLN A 559 4.105 -0.141 7.958 1.00 0.00 H new ATOM 487 N ARG A 560 5.104 -0.643 1.614 1.00 0.00 N ATOM 488 CA ARG A 560 4.326 0.061 0.610 1.00 0.00 C ATOM 489 C ARG A 560 3.066 -0.734 0.261 1.00 0.00 C ATOM 490 O ARG A 560 1.950 -0.266 0.485 1.00 0.00 O ATOM 491 CB ARG A 560 5.145 0.290 -0.662 1.00 0.00 C ATOM 492 CG ARG A 560 4.874 1.677 -1.247 1.00 0.00 C ATOM 493 CD ARG A 560 6.183 2.409 -1.551 1.00 0.00 C ATOM 494 NE ARG A 560 7.186 1.455 -2.076 1.00 0.00 N ATOM 495 CZ ARG A 560 7.111 0.874 -3.281 1.00 0.00 C ATOM 496 NH1 ARG A 560 6.080 1.145 -4.093 1.00 0.00 N ATOM 497 NH2 ARG A 560 8.066 0.021 -3.674 1.00 0.00 N ATOM 0 H ARG A 560 6.092 -0.757 1.386 1.00 0.00 H new ATOM 0 HA ARG A 560 4.046 1.028 1.027 1.00 0.00 H new ATOM 0 HB2 ARG A 560 6.207 0.187 -0.438 1.00 0.00 H new ATOM 0 HB3 ARG A 560 4.899 -0.474 -1.400 1.00 0.00 H new ATOM 0 HG2 ARG A 560 4.286 1.582 -2.160 1.00 0.00 H new ATOM 0 HG3 ARG A 560 4.280 2.262 -0.545 1.00 0.00 H new ATOM 0 HD2 ARG A 560 6.006 3.201 -2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 560 6.561 2.886 -0.647 1.00 0.00 H new ATOM 0 HE ARG A 560 7.984 1.226 -1.483 1.00 0.00 H new ATOM 0 HH11 ARG A 560 5.352 1.794 -3.794 1.00 0.00 H new ATOM 0 HH12 ARG A 560 6.023 0.703 -5.010 1.00 0.00 H new ATOM 0 HH21 ARG A 560 8.850 -0.186 -3.056 1.00 0.00 H new ATOM 0 HH22 ARG A 560 8.009 -0.421 -4.591 1.00 0.00 H new ATOM 511 N GLN A 561 3.286 -1.922 -0.283 1.00 0.00 N ATOM 512 CA GLN A 561 2.182 -2.786 -0.665 1.00 0.00 C ATOM 513 C GLN A 561 1.276 -3.054 0.539 1.00 0.00 C ATOM 514 O GLN A 561 0.085 -3.315 0.378 1.00 0.00 O ATOM 515 CB GLN A 561 2.694 -4.096 -1.267 1.00 0.00 C ATOM 516 CG GLN A 561 1.593 -4.802 -2.060 1.00 0.00 C ATOM 517 CD GLN A 561 1.616 -6.311 -1.806 1.00 0.00 C ATOM 518 OE1 GLN A 561 1.860 -7.112 -2.693 1.00 0.00 O ATOM 519 NE2 GLN A 561 1.349 -6.652 -0.549 1.00 0.00 N ATOM 0 H GLN A 561 4.212 -2.306 -0.468 1.00 0.00 H new ATOM 0 HA GLN A 561 1.596 -2.277 -1.430 1.00 0.00 H new ATOM 0 HB2 GLN A 561 3.544 -3.893 -1.919 1.00 0.00 H new ATOM 0 HB3 GLN A 561 3.051 -4.751 -0.472 1.00 0.00 H new ATOM 0 HG2 GLN A 561 0.621 -4.397 -1.779 1.00 0.00 H new ATOM 0 HG3 GLN A 561 1.724 -4.607 -3.124 1.00 0.00 H new ATOM 0 HE21 GLN A 561 1.153 -5.930 0.145 1.00 0.00 H new ATOM 0 HE22 GLN A 561 1.340 -7.635 -0.278 1.00 0.00 H new ATOM 528 N SER A 562 1.875 -2.979 1.718 1.00 0.00 N ATOM 529 CA SER A 562 1.137 -3.210 2.948 1.00 0.00 C ATOM 530 C SER A 562 -0.186 -2.442 2.917 1.00 0.00 C ATOM 531 O SER A 562 -1.199 -2.922 3.423 1.00 0.00 O ATOM 532 CB SER A 562 1.961 -2.798 4.170 1.00 0.00 C ATOM 533 OG SER A 562 1.609 -3.550 5.329 1.00 0.00 O ATOM 0 H SER A 562 2.863 -2.762 1.848 1.00 0.00 H new ATOM 0 HA SER A 562 0.929 -4.277 3.026 1.00 0.00 H new ATOM 0 HB2 SER A 562 3.021 -2.936 3.956 1.00 0.00 H new ATOM 0 HB3 SER A 562 1.811 -1.736 4.367 1.00 0.00 H new ATOM 0 HG SER A 562 2.158 -3.259 6.087 1.00 0.00 H new ATOM 539 N ILE A 563 -0.134 -1.262 2.317 1.00 0.00 N ATOM 540 CA ILE A 563 -1.316 -0.423 2.212 1.00 0.00 C ATOM 541 C ILE A 563 -2.381 -1.150 1.389 1.00 0.00 C ATOM 542 O ILE A 563 -3.568 -1.085 1.706 1.00 0.00 O ATOM 543 CB ILE A 563 -0.947 0.956 1.661 1.00 0.00 C ATOM 544 CG1 ILE A 563 -0.524 1.901 2.787 1.00 0.00 C ATOM 545 CG2 ILE A 563 -2.090 1.535 0.825 1.00 0.00 C ATOM 546 CD1 ILE A 563 0.544 2.885 2.304 1.00 0.00 C ATOM 0 H ILE A 563 0.708 -0.867 1.898 1.00 0.00 H new ATOM 0 HA ILE A 563 -1.744 -0.242 3.198 1.00 0.00 H new ATOM 0 HB ILE A 563 -0.089 0.841 0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 563 -1.392 2.451 3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 563 -0.138 1.323 3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 563 -1.802 2.515 0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 563 -2.302 0.869 -0.012 1.00 0.00 H new ATOM 0 HG23 ILE A 563 -2.981 1.633 1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 563 0.827 3.546 3.123 1.00 0.00 H new ATOM 0 HD12 ILE A 563 1.420 2.333 1.963 1.00 0.00 H new ATOM 0 HD13 ILE A 563 0.146 3.478 1.481 1.00 0.00 H new ATOM 558 N LEU A 564 -1.919 -1.826 0.348 1.00 0.00 N ATOM 559 CA LEU A 564 -2.817 -2.564 -0.524 1.00 0.00 C ATOM 560 C LEU A 564 -3.475 -3.695 0.270 1.00 0.00 C ATOM 561 O LEU A 564 -4.661 -3.973 0.095 1.00 0.00 O ATOM 562 CB LEU A 564 -2.078 -3.041 -1.776 1.00 0.00 C ATOM 563 CG LEU A 564 -2.793 -4.103 -2.614 1.00 0.00 C ATOM 564 CD1 LEU A 564 -2.344 -4.042 -4.075 1.00 0.00 C ATOM 565 CD2 LEU A 564 -2.601 -5.496 -2.012 1.00 0.00 C ATOM 0 H LEU A 564 -0.934 -1.878 0.088 1.00 0.00 H new ATOM 0 HA LEU A 564 -3.617 -1.917 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 564 -1.884 -2.176 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 564 -1.109 -3.438 -1.473 1.00 0.00 H new ATOM 0 HG LEU A 564 -3.862 -3.890 -2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 564 -2.867 -4.807 -4.649 1.00 0.00 H new ATOM 0 HD12 LEU A 564 -2.575 -3.059 -4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 564 -1.270 -4.216 -4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 564 -3.119 -6.232 -2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 564 -1.538 -5.735 -1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 564 -3.009 -5.515 -1.001 1.00 0.00 H new ATOM 577 N ILE A 565 -2.677 -4.317 1.125 1.00 0.00 N ATOM 578 CA ILE A 565 -3.167 -5.411 1.946 1.00 0.00 C ATOM 579 C ILE A 565 -4.218 -4.880 2.922 1.00 0.00 C ATOM 580 O ILE A 565 -5.294 -5.460 3.058 1.00 0.00 O ATOM 581 CB ILE A 565 -2.003 -6.133 2.628 1.00 0.00 C ATOM 582 CG1 ILE A 565 -0.940 -6.546 1.607 1.00 0.00 C ATOM 583 CG2 ILE A 565 -2.501 -7.322 3.450 1.00 0.00 C ATOM 584 CD1 ILE A 565 -1.435 -7.705 0.740 1.00 0.00 C ATOM 0 H ILE A 565 -1.694 -4.084 1.267 1.00 0.00 H new ATOM 0 HA ILE A 565 -3.658 -6.162 1.326 1.00 0.00 H new ATOM 0 HB ILE A 565 -1.530 -5.438 3.322 1.00 0.00 H new ATOM 0 HG12 ILE A 565 -0.688 -5.695 0.974 1.00 0.00 H new ATOM 0 HG13 ILE A 565 -0.027 -6.839 2.125 1.00 0.00 H new ATOM 0 HG21 ILE A 565 -1.653 -7.817 3.924 1.00 0.00 H new ATOM 0 HG22 ILE A 565 -3.191 -6.971 4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 565 -3.014 -8.027 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 565 -0.661 -7.979 0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 565 -1.663 -8.562 1.374 1.00 0.00 H new ATOM 0 HD13 ILE A 565 -2.334 -7.401 0.205 1.00 0.00 H new ATOM 596 N LEU A 566 -3.869 -3.782 3.577 1.00 0.00 N ATOM 597 CA LEU A 566 -4.769 -3.166 4.537 1.00 0.00 C ATOM 598 C LEU A 566 -5.981 -2.593 3.799 1.00 0.00 C ATOM 599 O LEU A 566 -7.092 -2.595 4.327 1.00 0.00 O ATOM 600 CB LEU A 566 -4.022 -2.135 5.387 1.00 0.00 C ATOM 601 CG LEU A 566 -4.178 -2.276 6.902 1.00 0.00 C ATOM 602 CD1 LEU A 566 -2.887 -1.886 7.624 1.00 0.00 C ATOM 603 CD2 LEU A 566 -5.381 -1.477 7.407 1.00 0.00 C ATOM 0 H LEU A 566 -2.976 -3.303 3.462 1.00 0.00 H new ATOM 0 HA LEU A 566 -5.145 -3.911 5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -2.961 -2.193 5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -4.361 -1.140 5.098 1.00 0.00 H new ATOM 0 HG LEU A 566 -4.371 -3.325 7.129 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -3.025 -1.995 8.700 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -2.076 -2.535 7.294 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -2.640 -0.850 7.393 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -5.469 -1.595 8.487 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -5.244 -0.423 7.167 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -6.289 -1.843 6.927 1.00 0.00 H new ATOM 615 N LYS A 567 -5.725 -2.116 2.590 1.00 0.00 N ATOM 616 CA LYS A 567 -6.781 -1.541 1.774 1.00 0.00 C ATOM 617 C LYS A 567 -7.848 -2.603 1.505 1.00 0.00 C ATOM 618 O LYS A 567 -9.040 -2.299 1.478 1.00 0.00 O ATOM 619 CB LYS A 567 -6.198 -0.920 0.503 1.00 0.00 C ATOM 620 CG LYS A 567 -6.126 0.604 0.620 1.00 0.00 C ATOM 621 CD LYS A 567 -7.479 1.243 0.301 1.00 0.00 C ATOM 622 CE LYS A 567 -7.549 2.674 0.837 1.00 0.00 C ATOM 623 NZ LYS A 567 -8.955 3.131 0.912 1.00 0.00 N ATOM 0 H LYS A 567 -4.802 -2.116 2.156 1.00 0.00 H new ATOM 0 HA LYS A 567 -7.270 -0.724 2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 567 -5.201 -1.322 0.322 1.00 0.00 H new ATOM 0 HB3 LYS A 567 -6.813 -1.194 -0.355 1.00 0.00 H new ATOM 0 HG2 LYS A 567 -5.818 0.881 1.628 1.00 0.00 H new ATOM 0 HG3 LYS A 567 -5.368 0.989 -0.062 1.00 0.00 H new ATOM 0 HD2 LYS A 567 -7.638 1.246 -0.777 1.00 0.00 H new ATOM 0 HD3 LYS A 567 -8.279 0.647 0.740 1.00 0.00 H new ATOM 0 HE2 LYS A 567 -7.092 2.721 1.825 1.00 0.00 H new ATOM 0 HE3 LYS A 567 -6.978 3.340 0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 -8.985 4.104 1.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 -9.380 3.105 -0.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 -9.490 2.506 1.548 1.00 0.00 H new ATOM 637 N GLU A 568 -7.383 -3.829 1.314 1.00 0.00 N ATOM 638 CA GLU A 568 -8.282 -4.939 1.049 1.00 0.00 C ATOM 639 C GLU A 568 -9.222 -5.156 2.237 1.00 0.00 C ATOM 640 O GLU A 568 -10.390 -5.495 2.055 1.00 0.00 O ATOM 641 CB GLU A 568 -7.500 -6.214 0.727 1.00 0.00 C ATOM 642 CG GLU A 568 -7.378 -6.415 -0.784 1.00 0.00 C ATOM 643 CD GLU A 568 -8.695 -6.916 -1.380 1.00 0.00 C ATOM 644 OE1 GLU A 568 -8.884 -8.151 -1.381 1.00 0.00 O ATOM 645 OE2 GLU A 568 -9.483 -6.051 -1.820 1.00 0.00 O ATOM 0 H GLU A 568 -6.394 -4.078 1.338 1.00 0.00 H new ATOM 0 HA GLU A 568 -8.885 -4.692 0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 568 -6.506 -6.157 1.171 1.00 0.00 H new ATOM 0 HB3 GLU A 568 -8.000 -7.074 1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 568 -7.095 -5.475 -1.258 1.00 0.00 H new ATOM 0 HG3 GLU A 568 -6.584 -7.131 -0.996 1.00 0.00 H new ATOM 652 N GLN A 569 -8.676 -4.952 3.427 1.00 0.00 N ATOM 653 CA GLN A 569 -9.451 -5.122 4.644 1.00 0.00 C ATOM 654 C GLN A 569 -10.605 -4.119 4.683 1.00 0.00 C ATOM 655 O GLN A 569 -11.708 -4.452 5.113 1.00 0.00 O ATOM 656 CB GLN A 569 -8.563 -4.984 5.882 1.00 0.00 C ATOM 657 CG GLN A 569 -7.820 -6.290 6.172 1.00 0.00 C ATOM 658 CD GLN A 569 -6.397 -6.014 6.664 1.00 0.00 C ATOM 659 OE1 GLN A 569 -6.085 -4.950 7.173 1.00 0.00 O ATOM 660 NE2 GLN A 569 -5.556 -7.028 6.484 1.00 0.00 N ATOM 0 H GLN A 569 -7.707 -4.671 3.574 1.00 0.00 H new ATOM 0 HA GLN A 569 -9.870 -6.128 4.647 1.00 0.00 H new ATOM 0 HB2 GLN A 569 -7.844 -4.178 5.731 1.00 0.00 H new ATOM 0 HB3 GLN A 569 -9.173 -4.710 6.743 1.00 0.00 H new ATOM 0 HG2 GLN A 569 -8.364 -6.863 6.923 1.00 0.00 H new ATOM 0 HG3 GLN A 569 -7.785 -6.901 5.270 1.00 0.00 H new ATOM 0 HE21 GLN A 569 -5.884 -7.892 6.051 1.00 0.00 H new ATOM 0 HE22 GLN A 569 -4.583 -6.942 6.779 1.00 0.00 H new ATOM 669 N ILE A 570 -10.312 -2.910 4.227 1.00 0.00 N ATOM 670 CA ILE A 570 -11.311 -1.856 4.204 1.00 0.00 C ATOM 671 C ILE A 570 -12.468 -2.275 3.293 1.00 0.00 C ATOM 672 O ILE A 570 -13.632 -2.039 3.614 1.00 0.00 O ATOM 673 CB ILE A 570 -10.674 -0.521 3.813 1.00 0.00 C ATOM 674 CG1 ILE A 570 -9.638 -0.083 4.850 1.00 0.00 C ATOM 675 CG2 ILE A 570 -11.742 0.550 3.582 1.00 0.00 C ATOM 676 CD1 ILE A 570 -8.672 0.946 4.260 1.00 0.00 C ATOM 0 H ILE A 570 -9.396 -2.637 3.870 1.00 0.00 H new ATOM 0 HA ILE A 570 -11.727 -1.705 5.200 1.00 0.00 H new ATOM 0 HB ILE A 570 -10.147 -0.658 2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 570 -10.144 0.343 5.717 1.00 0.00 H new ATOM 0 HG13 ILE A 570 -9.080 -0.951 5.201 1.00 0.00 H new ATOM 0 HG21 ILE A 570 -11.262 1.489 3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 570 -12.408 0.233 2.780 1.00 0.00 H new ATOM 0 HG23 ILE A 570 -12.318 0.693 4.496 1.00 0.00 H new ATOM 0 HD11 ILE A 570 -7.946 1.240 5.018 1.00 0.00 H new ATOM 0 HD12 ILE A 570 -8.150 0.509 3.409 1.00 0.00 H new ATOM 0 HD13 ILE A 570 -9.230 1.823 3.932 1.00 0.00 H new ATOM 688 N GLN A 571 -12.106 -2.889 2.176 1.00 0.00 N ATOM 689 CA GLN A 571 -13.099 -3.343 1.217 1.00 0.00 C ATOM 690 C GLN A 571 -13.970 -4.439 1.834 1.00 0.00 C ATOM 691 O GLN A 571 -15.185 -4.453 1.642 1.00 0.00 O ATOM 692 CB GLN A 571 -12.434 -3.830 -0.071 1.00 0.00 C ATOM 693 CG GLN A 571 -12.168 -2.665 -1.026 1.00 0.00 C ATOM 694 CD GLN A 571 -11.415 -1.537 -0.318 1.00 0.00 C ATOM 695 OE1 GLN A 571 -11.945 -0.840 0.532 1.00 0.00 O ATOM 696 NE2 GLN A 571 -10.153 -1.396 -0.714 1.00 0.00 N ATOM 0 H GLN A 571 -11.139 -3.083 1.914 1.00 0.00 H new ATOM 0 HA GLN A 571 -13.740 -2.500 0.959 1.00 0.00 H new ATOM 0 HB2 GLN A 571 -11.496 -4.331 0.167 1.00 0.00 H new ATOM 0 HB3 GLN A 571 -13.073 -4.566 -0.559 1.00 0.00 H new ATOM 0 HG2 GLN A 571 -11.587 -3.015 -1.880 1.00 0.00 H new ATOM 0 HG3 GLN A 571 -13.113 -2.287 -1.417 1.00 0.00 H new ATOM 0 HE21 GLN A 571 -9.771 -2.013 -1.431 1.00 0.00 H new ATOM 0 HE22 GLN A 571 -9.567 -0.670 -0.301 1.00 0.00 H new ATOM 705 N LYS A 572 -13.315 -5.332 2.562 1.00 0.00 N ATOM 706 CA LYS A 572 -14.014 -6.430 3.208 1.00 0.00 C ATOM 707 C LYS A 572 -14.491 -5.981 4.590 1.00 0.00 C ATOM 708 O LYS A 572 -13.973 -6.439 5.608 1.00 0.00 O ATOM 709 CB LYS A 572 -13.135 -7.682 3.236 1.00 0.00 C ATOM 710 CG LYS A 572 -13.190 -8.421 1.898 1.00 0.00 C ATOM 711 CD LYS A 572 -12.513 -9.790 2.000 1.00 0.00 C ATOM 712 CE LYS A 572 -11.623 -10.052 0.783 1.00 0.00 C ATOM 713 NZ LYS A 572 -11.378 -11.503 0.624 1.00 0.00 N ATOM 0 H LYS A 572 -12.307 -5.317 2.719 1.00 0.00 H new ATOM 0 HA LYS A 572 -14.901 -6.706 2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 572 -12.105 -7.403 3.459 1.00 0.00 H new ATOM 0 HB3 LYS A 572 -13.466 -8.345 4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 572 -14.228 -8.547 1.590 1.00 0.00 H new ATOM 0 HG3 LYS A 572 -12.699 -7.825 1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 572 -11.915 -9.837 2.910 1.00 0.00 H new ATOM 0 HD3 LYS A 572 -13.271 -10.570 2.076 1.00 0.00 H new ATOM 0 HE2 LYS A 572 -12.098 -9.657 -0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 572 -10.675 -9.527 0.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 572 -10.773 -11.664 -0.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 572 -10.905 -11.870 1.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 572 -12.284 -11.996 0.492 1.00 0.00 H new ATOM 727 N SER A 573 -15.473 -5.092 4.582 1.00 0.00 N ATOM 728 CA SER A 573 -16.026 -4.577 5.823 1.00 0.00 C ATOM 729 C SER A 573 -17.551 -4.710 5.812 1.00 0.00 C ATOM 730 O SER A 573 -18.231 -4.027 5.049 1.00 0.00 O ATOM 731 CB SER A 573 -15.623 -3.118 6.042 1.00 0.00 C ATOM 732 OG SER A 573 -15.575 -2.779 7.426 1.00 0.00 O ATOM 0 H SER A 573 -15.900 -4.715 3.736 1.00 0.00 H new ATOM 0 HA SER A 573 -15.622 -5.165 6.647 1.00 0.00 H new ATOM 0 HB2 SER A 573 -14.647 -2.940 5.591 1.00 0.00 H new ATOM 0 HB3 SER A 573 -16.333 -2.466 5.533 1.00 0.00 H new ATOM 0 HG SER A 573 -15.312 -1.840 7.524 1.00 0.00 H new ATOM 738 N THR A 574 -18.042 -5.595 6.668 1.00 0.00 N ATOM 739 CA THR A 574 -19.473 -5.827 6.766 1.00 0.00 C ATOM 740 C THR A 574 -20.204 -4.519 7.077 1.00 0.00 C ATOM 741 O THR A 574 -21.094 -4.110 6.334 1.00 0.00 O ATOM 742 CB THR A 574 -19.704 -6.917 7.814 1.00 0.00 C ATOM 743 OG1 THR A 574 -19.225 -8.105 7.190 1.00 0.00 O ATOM 744 CG2 THR A 574 -21.190 -7.194 8.052 1.00 0.00 C ATOM 0 H THR A 574 -17.474 -6.160 7.300 1.00 0.00 H new ATOM 0 HA THR A 574 -19.884 -6.175 5.818 1.00 0.00 H new ATOM 0 HB THR A 574 -19.234 -6.624 8.753 1.00 0.00 H new ATOM 0 HG1 THR A 574 -19.335 -8.863 7.801 1.00 0.00 H new ATOM 0 HG21 THR A 574 -21.299 -7.975 8.804 1.00 0.00 H new ATOM 0 HG22 THR A 574 -21.678 -6.284 8.401 1.00 0.00 H new ATOM 0 HG23 THR A 574 -21.653 -7.520 7.121 1.00 0.00 H new ATOM 752 N GLY A 575 -19.802 -3.901 8.178 1.00 0.00 N ATOM 753 CA GLY A 575 -20.409 -2.649 8.597 1.00 0.00 C ATOM 754 C GLY A 575 -20.118 -1.535 7.590 1.00 0.00 C ATOM 755 O GLY A 575 -19.947 -1.798 6.400 1.00 0.00 O ATOM 0 H GLY A 575 -19.064 -4.244 8.792 1.00 0.00 H new ATOM 0 HA2 GLY A 575 -21.486 -2.779 8.699 1.00 0.00 H new ATOM 0 HA3 GLY A 575 -20.028 -2.366 9.578 1.00 0.00 H new ATOM 759 N ALA A 576 -20.070 -0.314 8.103 1.00 0.00 N ATOM 760 CA ALA A 576 -19.803 0.841 7.263 1.00 0.00 C ATOM 761 C ALA A 576 -18.383 1.344 7.531 1.00 0.00 C ATOM 762 O ALA A 576 -18.084 1.812 8.628 1.00 0.00 O ATOM 763 CB ALA A 576 -20.861 1.916 7.521 1.00 0.00 C ATOM 0 H ALA A 576 -20.212 -0.100 9.090 1.00 0.00 H new ATOM 0 HA ALA A 576 -19.863 0.571 6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 576 -20.661 2.782 6.891 1.00 0.00 H new ATOM 0 HB2 ALA A 576 -21.849 1.518 7.287 1.00 0.00 H new ATOM 0 HB3 ALA A 576 -20.829 2.214 8.569 1.00 0.00 H new ATOM 769 N PRO A 577 -17.524 1.226 6.483 1.00 0.00 N ATOM 770 CA PRO A 577 -16.143 1.663 6.595 1.00 0.00 C ATOM 771 C PRO A 577 -16.045 3.189 6.548 1.00 0.00 C ATOM 772 O PRO A 577 -16.100 3.785 5.474 1.00 0.00 O ATOM 773 CB PRO A 577 -15.422 0.986 5.441 1.00 0.00 C ATOM 774 CG PRO A 577 -16.505 0.571 4.459 1.00 0.00 C ATOM 775 CD PRO A 577 -17.844 0.676 5.169 1.00 0.00 C ATOM 0 HA PRO A 577 -15.690 1.387 7.547 1.00 0.00 H new ATOM 0 HB2 PRO A 577 -14.710 1.666 4.973 1.00 0.00 H new ATOM 0 HB3 PRO A 577 -14.857 0.121 5.787 1.00 0.00 H new ATOM 0 HG2 PRO A 577 -16.488 1.214 3.579 1.00 0.00 H new ATOM 0 HG3 PRO A 577 -16.336 -0.449 4.113 1.00 0.00 H new ATOM 0 HD2 PRO A 577 -18.531 1.324 4.625 1.00 0.00 H new ATOM 0 HD3 PRO A 577 -18.325 -0.299 5.254 1.00 0.00 H new TER 783 PRO A 577