USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=9 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 Single : A 529 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 530 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 531 THR OG1 : rot -71:sc= 1.2 USER MOD Single : A 533 GLN : amide:sc= -2.05 K(o=-2,f=0) USER MOD Single : A 535 HIS : no HE2:sc= 0.334 K(o=0.33,f=-5.8!) USER MOD Single : A 537 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 542 MET CE :methyl -144:sc= -2.62! (180deg=-4.96) USER MOD Single : A 543 GLN : amide:sc= -1.71 K(o=-1.7,f=-0.56) USER MOD Single : A 546 GLN : amide:sc= -4.39 X(o=-4.4,f=-4.5!) USER MOD Single : A 548 THR OG1 : rot 180:sc=-0.00634 USER MOD Single : A 551 GLN : amide:sc= -8.11! C(o=-8.1!,f=-2.5!) USER MOD Single : A 554 MET CE :methyl 149:sc= -0.137 (180deg=-0.615) USER MOD Single : A 559 GLN : amide:sc= -0.02 X(o=-0.02,f=-0.0046) USER MOD Single : A 561 GLN : amide:sc= -5.21! C(o=-5.2!,f=-1.9!) USER MOD Single : A 562 SER OG : rot 180:sc= 0 USER MOD Single : A 567 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0327) USER MOD Single : A 569 GLN : amide:sc=-0.00956 X(o=-0.0096,f=0) USER MOD Single : A 571 GLN : amide:sc= -0.577 K(o=-0.58,f=-1.6!) 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 4.291 -10.565 -4.558 1.00 0.00 N ATOM 2 CA HIS A 529 5.401 -9.914 -5.232 1.00 0.00 C ATOM 3 C HIS A 529 5.151 -9.905 -6.741 1.00 0.00 C ATOM 4 O HIS A 529 5.935 -10.463 -7.507 1.00 0.00 O ATOM 5 CB HIS A 529 6.728 -10.575 -4.855 1.00 0.00 C ATOM 6 CG HIS A 529 6.933 -10.737 -3.367 1.00 0.00 C ATOM 7 ND1 HIS A 529 6.613 -9.747 -2.454 1.00 0.00 N ATOM 8 CD2 HIS A 529 7.427 -11.783 -2.644 1.00 0.00 C ATOM 9 CE1 HIS A 529 6.906 -10.188 -1.240 1.00 0.00 C ATOM 10 NE2 HIS A 529 7.411 -11.449 -1.360 1.00 0.00 N ATOM 0 HA HIS A 529 5.472 -8.877 -4.904 1.00 0.00 H new ATOM 0 HB2 HIS A 529 6.781 -11.556 -5.328 1.00 0.00 H new ATOM 0 HB3 HIS A 529 7.546 -9.981 -5.262 1.00 0.00 H new ATOM 0 HD2 HIS A 529 7.772 -12.723 -3.048 1.00 0.00 H new ATOM 0 HE1 HIS A 529 6.769 -9.644 -0.317 1.00 0.00 H new ATOM 0 HE2 HIS A 529 7.725 -12.039 -0.589 1.00 0.00 H new ATOM 18 N MET A 530 4.056 -9.265 -7.123 1.00 0.00 N ATOM 19 CA MET A 530 3.693 -9.176 -8.528 1.00 0.00 C ATOM 20 C MET A 530 4.368 -7.976 -9.194 1.00 0.00 C ATOM 21 O MET A 530 3.713 -6.981 -9.499 1.00 0.00 O ATOM 22 CB MET A 530 2.174 -9.043 -8.655 1.00 0.00 C ATOM 23 CG MET A 530 1.542 -10.366 -9.092 1.00 0.00 C ATOM 24 SD MET A 530 0.024 -10.055 -9.979 1.00 0.00 S ATOM 25 CE MET A 530 0.417 -10.821 -11.542 1.00 0.00 C ATOM 0 H MET A 530 3.408 -8.803 -6.485 1.00 0.00 H new ATOM 0 HA MET A 530 4.031 -10.083 -9.029 1.00 0.00 H new ATOM 0 HB2 MET A 530 1.752 -8.732 -7.699 1.00 0.00 H new ATOM 0 HB3 MET A 530 1.933 -8.264 -9.379 1.00 0.00 H new ATOM 0 HG2 MET A 530 2.236 -10.918 -9.725 1.00 0.00 H new ATOM 0 HG3 MET A 530 1.342 -10.988 -8.220 1.00 0.00 H new ATOM 0 HE1 MET A 530 -0.430 -10.718 -12.221 1.00 0.00 H new ATOM 0 HE2 MET A 530 1.291 -10.335 -11.976 1.00 0.00 H new ATOM 0 HE3 MET A 530 0.630 -11.878 -11.386 1.00 0.00 H new ATOM 35 N THR A 531 5.670 -8.109 -9.399 1.00 0.00 N ATOM 36 CA THR A 531 6.442 -7.048 -10.023 1.00 0.00 C ATOM 37 C THR A 531 6.421 -5.790 -9.152 1.00 0.00 C ATOM 38 O THR A 531 5.905 -5.812 -8.036 1.00 0.00 O ATOM 39 CB THR A 531 5.884 -6.822 -11.430 1.00 0.00 C ATOM 40 OG1 THR A 531 4.973 -5.737 -11.272 1.00 0.00 O ATOM 41 CG2 THR A 531 5.003 -7.980 -11.904 1.00 0.00 C ATOM 0 H THR A 531 6.210 -8.936 -9.144 1.00 0.00 H new ATOM 0 HA THR A 531 7.492 -7.325 -10.115 1.00 0.00 H new ATOM 0 HB THR A 531 6.709 -6.683 -12.129 1.00 0.00 H new ATOM 0 HG1 THR A 531 4.185 -6.041 -10.775 1.00 0.00 H new ATOM 0 HG21 THR A 531 4.633 -7.769 -12.907 1.00 0.00 H new ATOM 0 HG22 THR A 531 5.588 -8.900 -11.919 1.00 0.00 H new ATOM 0 HG23 THR A 531 4.160 -8.098 -11.224 1.00 0.00 H new ATOM 49 N PRO A 532 7.003 -4.695 -9.710 1.00 0.00 N ATOM 50 CA PRO A 532 7.057 -3.430 -8.996 1.00 0.00 C ATOM 51 C PRO A 532 5.689 -2.744 -8.994 1.00 0.00 C ATOM 52 O PRO A 532 5.448 -1.835 -8.201 1.00 0.00 O ATOM 53 CB PRO A 532 8.126 -2.620 -9.711 1.00 0.00 C ATOM 54 CG PRO A 532 8.303 -3.272 -11.072 1.00 0.00 C ATOM 55 CD PRO A 532 7.625 -4.632 -11.030 1.00 0.00 C ATOM 0 HA PRO A 532 7.307 -3.552 -7.942 1.00 0.00 H new ATOM 0 HB2 PRO A 532 7.823 -1.578 -9.814 1.00 0.00 H new ATOM 0 HB3 PRO A 532 9.061 -2.626 -9.150 1.00 0.00 H new ATOM 0 HG2 PRO A 532 7.864 -2.651 -11.853 1.00 0.00 H new ATOM 0 HG3 PRO A 532 9.362 -3.380 -11.308 1.00 0.00 H new ATOM 0 HD2 PRO A 532 6.883 -4.729 -11.823 1.00 0.00 H new ATOM 0 HD3 PRO A 532 8.346 -5.438 -11.167 1.00 0.00 H new ATOM 63 N GLN A 533 4.829 -3.206 -9.890 1.00 0.00 N ATOM 64 CA GLN A 533 3.492 -2.648 -10.002 1.00 0.00 C ATOM 65 C GLN A 533 2.653 -3.033 -8.781 1.00 0.00 C ATOM 66 O GLN A 533 1.888 -2.219 -8.268 1.00 0.00 O ATOM 67 CB GLN A 533 2.815 -3.100 -11.297 1.00 0.00 C ATOM 68 CG GLN A 533 1.350 -2.661 -11.332 1.00 0.00 C ATOM 69 CD GLN A 533 0.420 -3.867 -11.478 1.00 0.00 C ATOM 70 OE1 GLN A 533 -0.373 -3.965 -12.400 1.00 0.00 O ATOM 71 NE2 GLN A 533 0.560 -4.778 -10.518 1.00 0.00 N ATOM 0 H GLN A 533 5.032 -3.961 -10.545 1.00 0.00 H new ATOM 0 HA GLN A 533 3.574 -1.562 -10.035 1.00 0.00 H new ATOM 0 HB2 GLN A 533 3.344 -2.682 -12.153 1.00 0.00 H new ATOM 0 HB3 GLN A 533 2.875 -4.185 -11.384 1.00 0.00 H new ATOM 0 HG2 GLN A 533 1.107 -2.118 -10.418 1.00 0.00 H new ATOM 0 HG3 GLN A 533 1.192 -1.973 -12.163 1.00 0.00 H new ATOM 0 HE21 GLN A 533 1.243 -4.634 -9.774 1.00 0.00 H new ATOM 0 HE22 GLN A 533 -0.016 -5.620 -10.526 1.00 0.00 H new ATOM 80 N ASP A 534 2.826 -4.274 -8.352 1.00 0.00 N ATOM 81 CA ASP A 534 2.095 -4.777 -7.201 1.00 0.00 C ATOM 82 C ASP A 534 2.438 -3.930 -5.975 1.00 0.00 C ATOM 83 O ASP A 534 1.573 -3.654 -5.145 1.00 0.00 O ATOM 84 CB ASP A 534 2.477 -6.227 -6.896 1.00 0.00 C ATOM 85 CG ASP A 534 1.670 -6.886 -5.776 1.00 0.00 C ATOM 86 OD1 ASP A 534 0.457 -6.593 -5.702 1.00 0.00 O ATOM 87 OD2 ASP A 534 2.284 -7.668 -5.019 1.00 0.00 O ATOM 0 H ASP A 534 3.462 -4.947 -8.781 1.00 0.00 H new ATOM 0 HA ASP A 534 1.030 -4.725 -7.429 1.00 0.00 H new ATOM 0 HB2 ASP A 534 2.358 -6.817 -7.805 1.00 0.00 H new ATOM 0 HB3 ASP A 534 3.534 -6.260 -6.630 1.00 0.00 H new ATOM 92 N HIS A 535 3.702 -3.541 -5.898 1.00 0.00 N ATOM 93 CA HIS A 535 4.170 -2.730 -4.787 1.00 0.00 C ATOM 94 C HIS A 535 3.788 -1.268 -5.021 1.00 0.00 C ATOM 95 O HIS A 535 3.659 -0.496 -4.072 1.00 0.00 O ATOM 96 CB HIS A 535 5.672 -2.923 -4.568 1.00 0.00 C ATOM 97 CG HIS A 535 6.057 -4.323 -4.152 1.00 0.00 C ATOM 98 ND1 HIS A 535 6.065 -4.736 -2.831 1.00 0.00 N ATOM 99 CD2 HIS A 535 6.447 -5.398 -4.894 1.00 0.00 C ATOM 100 CE1 HIS A 535 6.445 -6.005 -2.792 1.00 0.00 C ATOM 101 NE2 HIS A 535 6.681 -6.413 -4.072 1.00 0.00 N ATOM 0 H HIS A 535 4.417 -3.773 -6.588 1.00 0.00 H new ATOM 0 HA HIS A 535 3.683 -3.053 -3.867 1.00 0.00 H new ATOM 0 HB2 HIS A 535 6.198 -2.671 -5.489 1.00 0.00 H new ATOM 0 HB3 HIS A 535 6.011 -2.222 -3.805 1.00 0.00 H new ATOM 0 HD1 HIS A 535 5.820 -4.161 -2.025 1.00 0.00 H new ATOM 0 HD2 HIS A 535 6.548 -5.420 -5.969 1.00 0.00 H new ATOM 0 HE1 HIS A 535 6.549 -6.610 -1.903 1.00 0.00 H new ATOM 109 N GLU A 536 3.617 -0.930 -6.291 1.00 0.00 N ATOM 110 CA GLU A 536 3.252 0.426 -6.662 1.00 0.00 C ATOM 111 C GLU A 536 1.756 0.654 -6.437 1.00 0.00 C ATOM 112 O GLU A 536 1.262 1.767 -6.607 1.00 0.00 O ATOM 113 CB GLU A 536 3.639 0.721 -8.113 1.00 0.00 C ATOM 114 CG GLU A 536 4.656 1.862 -8.188 1.00 0.00 C ATOM 115 CD GLU A 536 5.088 2.116 -9.634 1.00 0.00 C ATOM 116 OE1 GLU A 536 6.030 1.422 -10.074 1.00 0.00 O ATOM 117 OE2 GLU A 536 4.468 2.998 -10.265 1.00 0.00 O ATOM 0 H GLU A 536 3.725 -1.572 -7.076 1.00 0.00 H new ATOM 0 HA GLU A 536 3.805 1.117 -6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 536 4.058 -0.175 -8.571 1.00 0.00 H new ATOM 0 HB3 GLU A 536 2.749 0.984 -8.684 1.00 0.00 H new ATOM 0 HG2 GLU A 536 4.221 2.770 -7.770 1.00 0.00 H new ATOM 0 HG3 GLU A 536 5.528 1.617 -7.582 1.00 0.00 H new ATOM 124 N LYS A 537 1.077 -0.419 -6.058 1.00 0.00 N ATOM 125 CA LYS A 537 -0.352 -0.350 -5.807 1.00 0.00 C ATOM 126 C LYS A 537 -0.614 0.585 -4.624 1.00 0.00 C ATOM 127 O LYS A 537 -1.711 1.124 -4.486 1.00 0.00 O ATOM 128 CB LYS A 537 -0.932 -1.753 -5.622 1.00 0.00 C ATOM 129 CG LYS A 537 -1.650 -2.222 -6.890 1.00 0.00 C ATOM 130 CD LYS A 537 -3.014 -1.542 -7.031 1.00 0.00 C ATOM 131 CE LYS A 537 -3.864 -2.237 -8.097 1.00 0.00 C ATOM 132 NZ LYS A 537 -5.255 -1.731 -8.060 1.00 0.00 N ATOM 0 H LYS A 537 1.490 -1.341 -5.919 1.00 0.00 H new ATOM 0 HA LYS A 537 -0.870 0.073 -6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 537 -0.132 -2.451 -5.373 1.00 0.00 H new ATOM 0 HB3 LYS A 537 -1.629 -1.755 -4.784 1.00 0.00 H new ATOM 0 HG2 LYS A 537 -1.037 -1.999 -7.763 1.00 0.00 H new ATOM 0 HG3 LYS A 537 -1.780 -3.304 -6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 537 -3.536 -1.563 -6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 537 -2.876 -0.494 -7.297 1.00 0.00 H new ATOM 0 HE2 LYS A 537 -3.434 -2.064 -9.084 1.00 0.00 H new ATOM 0 HE3 LYS A 537 -3.858 -3.314 -7.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 537 -5.819 -2.212 -8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 537 -5.668 -1.918 -7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 537 -5.257 -0.707 -8.241 1.00 0.00 H new ATOM 146 N ALA A 538 0.411 0.747 -3.801 1.00 0.00 N ATOM 147 CA ALA A 538 0.306 1.607 -2.635 1.00 0.00 C ATOM 148 C ALA A 538 0.244 3.067 -3.086 1.00 0.00 C ATOM 149 O ALA A 538 -0.411 3.890 -2.450 1.00 0.00 O ATOM 150 CB ALA A 538 1.482 1.336 -1.693 1.00 0.00 C ATOM 0 H ALA A 538 1.319 0.297 -3.919 1.00 0.00 H new ATOM 0 HA ALA A 538 -0.610 1.395 -2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 538 1.403 1.981 -0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 538 1.463 0.293 -1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 538 2.418 1.541 -2.212 1.00 0.00 H new ATOM 156 N ALA A 539 0.936 3.344 -4.182 1.00 0.00 N ATOM 157 CA ALA A 539 0.968 4.690 -4.727 1.00 0.00 C ATOM 158 C ALA A 539 -0.464 5.185 -4.938 1.00 0.00 C ATOM 159 O ALA A 539 -0.754 6.364 -4.737 1.00 0.00 O ATOM 160 CB ALA A 539 1.784 4.699 -6.021 1.00 0.00 C ATOM 0 H ALA A 539 1.479 2.658 -4.707 1.00 0.00 H new ATOM 0 HA ALA A 539 1.454 5.373 -4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 539 1.807 5.709 -6.429 1.00 0.00 H new ATOM 0 HB2 ALA A 539 2.801 4.368 -5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 539 1.325 4.026 -6.745 1.00 0.00 H new ATOM 166 N LEU A 540 -1.323 4.259 -5.339 1.00 0.00 N ATOM 167 CA LEU A 540 -2.718 4.587 -5.579 1.00 0.00 C ATOM 168 C LEU A 540 -3.393 4.930 -4.250 1.00 0.00 C ATOM 169 O LEU A 540 -4.313 5.745 -4.209 1.00 0.00 O ATOM 170 CB LEU A 540 -3.409 3.457 -6.346 1.00 0.00 C ATOM 171 CG LEU A 540 -4.906 3.284 -6.081 1.00 0.00 C ATOM 172 CD1 LEU A 540 -5.655 4.602 -6.283 1.00 0.00 C ATOM 173 CD2 LEU A 540 -5.487 2.157 -6.936 1.00 0.00 C ATOM 0 H LEU A 540 -1.080 3.282 -5.504 1.00 0.00 H new ATOM 0 HA LEU A 540 -2.798 5.469 -6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 540 -3.267 3.629 -7.413 1.00 0.00 H new ATOM 0 HB3 LEU A 540 -2.907 2.520 -6.104 1.00 0.00 H new ATOM 0 HG LEU A 540 -5.037 2.997 -5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 540 -6.717 4.451 -6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 540 -5.263 5.352 -5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 540 -5.519 4.944 -7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 540 -6.552 2.055 -6.728 1.00 0.00 H new ATOM 0 HD22 LEU A 540 -5.344 2.390 -7.991 1.00 0.00 H new ATOM 0 HD23 LEU A 540 -4.980 1.222 -6.699 1.00 0.00 H new ATOM 185 N ILE A 541 -2.910 4.290 -3.195 1.00 0.00 N ATOM 186 CA ILE A 541 -3.455 4.517 -1.868 1.00 0.00 C ATOM 187 C ILE A 541 -2.709 5.677 -1.206 1.00 0.00 C ATOM 188 O ILE A 541 -3.207 6.280 -0.257 1.00 0.00 O ATOM 189 CB ILE A 541 -3.431 3.224 -1.050 1.00 0.00 C ATOM 190 CG1 ILE A 541 -4.041 2.065 -1.839 1.00 0.00 C ATOM 191 CG2 ILE A 541 -4.116 3.419 0.304 1.00 0.00 C ATOM 192 CD1 ILE A 541 -5.510 2.338 -2.168 1.00 0.00 C ATOM 0 H ILE A 541 -2.147 3.614 -3.233 1.00 0.00 H new ATOM 0 HA ILE A 541 -4.504 4.807 -1.932 1.00 0.00 H new ATOM 0 HB ILE A 541 -2.391 2.965 -0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 541 -3.480 1.913 -2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 541 -3.959 1.144 -1.261 1.00 0.00 H new ATOM 0 HG21 ILE A 541 -4.085 2.485 0.865 1.00 0.00 H new ATOM 0 HG22 ILE A 541 -3.598 4.197 0.865 1.00 0.00 H new ATOM 0 HG23 ILE A 541 -5.154 3.714 0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 541 -5.919 1.498 -2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 541 -6.073 2.465 -1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 541 -5.586 3.246 -2.766 1.00 0.00 H new ATOM 204 N MET A 542 -1.525 5.955 -1.734 1.00 0.00 N ATOM 205 CA MET A 542 -0.705 7.032 -1.206 1.00 0.00 C ATOM 206 C MET A 542 -1.462 8.362 -1.234 1.00 0.00 C ATOM 207 O MET A 542 -1.363 9.156 -0.300 1.00 0.00 O ATOM 208 CB MET A 542 0.573 7.155 -2.038 1.00 0.00 C ATOM 209 CG MET A 542 1.600 6.099 -1.623 1.00 0.00 C ATOM 210 SD MET A 542 3.202 6.509 -2.295 1.00 0.00 S ATOM 211 CE MET A 542 3.784 4.877 -2.726 1.00 0.00 C ATOM 0 H MET A 542 -1.115 5.453 -2.521 1.00 0.00 H new ATOM 0 HA MET A 542 -0.455 6.799 -0.171 1.00 0.00 H new ATOM 0 HB2 MET A 542 0.335 7.041 -3.096 1.00 0.00 H new ATOM 0 HB3 MET A 542 0.999 8.151 -1.913 1.00 0.00 H new ATOM 0 HG2 MET A 542 1.656 6.042 -0.536 1.00 0.00 H new ATOM 0 HG3 MET A 542 1.288 5.117 -1.978 1.00 0.00 H new ATOM 0 HE1 MET A 542 4.857 4.815 -2.547 1.00 0.00 H new ATOM 0 HE2 MET A 542 3.271 4.135 -2.115 1.00 0.00 H new ATOM 0 HE3 MET A 542 3.580 4.684 -3.779 1.00 0.00 H new ATOM 221 N GLN A 543 -2.201 8.563 -2.315 1.00 0.00 N ATOM 222 CA GLN A 543 -2.975 9.782 -2.477 1.00 0.00 C ATOM 223 C GLN A 543 -4.135 9.811 -1.480 1.00 0.00 C ATOM 224 O GLN A 543 -4.425 10.850 -0.890 1.00 0.00 O ATOM 225 CB GLN A 543 -3.482 9.923 -3.913 1.00 0.00 C ATOM 226 CG GLN A 543 -2.340 9.750 -4.917 1.00 0.00 C ATOM 227 CD GLN A 543 -2.779 8.889 -6.103 1.00 0.00 C ATOM 228 OE1 GLN A 543 -2.585 9.231 -7.258 1.00 0.00 O ATOM 229 NE2 GLN A 543 -3.381 7.755 -5.755 1.00 0.00 N ATOM 0 H GLN A 543 -2.280 7.902 -3.088 1.00 0.00 H new ATOM 0 HA GLN A 543 -2.324 10.632 -2.272 1.00 0.00 H new ATOM 0 HB2 GLN A 543 -4.255 9.179 -4.104 1.00 0.00 H new ATOM 0 HB3 GLN A 543 -3.942 10.902 -4.045 1.00 0.00 H new ATOM 0 HG2 GLN A 543 -2.013 10.727 -5.273 1.00 0.00 H new ATOM 0 HG3 GLN A 543 -1.485 9.288 -4.424 1.00 0.00 H new ATOM 0 HE21 GLN A 543 -3.512 7.529 -4.769 1.00 0.00 H new ATOM 0 HE22 GLN A 543 -3.712 7.112 -6.474 1.00 0.00 H new ATOM 238 N VAL A 544 -4.768 8.657 -1.324 1.00 0.00 N ATOM 239 CA VAL A 544 -5.890 8.537 -0.410 1.00 0.00 C ATOM 240 C VAL A 544 -5.405 8.780 1.021 1.00 0.00 C ATOM 241 O VAL A 544 -6.131 9.342 1.839 1.00 0.00 O ATOM 242 CB VAL A 544 -6.568 7.177 -0.589 1.00 0.00 C ATOM 243 CG1 VAL A 544 -7.794 7.052 0.318 1.00 0.00 C ATOM 244 CG2 VAL A 544 -6.942 6.940 -2.053 1.00 0.00 C ATOM 0 H VAL A 544 -4.525 7.797 -1.816 1.00 0.00 H new ATOM 0 HA VAL A 544 -6.644 9.292 -0.630 1.00 0.00 H new ATOM 0 HB VAL A 544 -5.855 6.406 -0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 544 -8.257 6.076 0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 544 -7.488 7.156 1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 544 -8.511 7.835 0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 544 -7.422 5.967 -2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 544 -7.629 7.719 -2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 544 -6.042 6.965 -2.667 1.00 0.00 H new ATOM 254 N LEU A 545 -4.181 8.343 1.279 1.00 0.00 N ATOM 255 CA LEU A 545 -3.590 8.506 2.596 1.00 0.00 C ATOM 256 C LEU A 545 -3.677 9.976 3.011 1.00 0.00 C ATOM 257 O LEU A 545 -4.702 10.419 3.527 1.00 0.00 O ATOM 258 CB LEU A 545 -2.168 7.944 2.619 1.00 0.00 C ATOM 259 CG LEU A 545 -2.026 6.496 3.094 1.00 0.00 C ATOM 260 CD1 LEU A 545 -1.573 6.440 4.554 1.00 0.00 C ATOM 261 CD2 LEU A 545 -3.321 5.714 2.864 1.00 0.00 C ATOM 0 H LEU A 545 -3.582 7.876 0.598 1.00 0.00 H new ATOM 0 HA LEU A 545 -4.147 7.932 3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -1.753 8.018 1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 545 -1.558 8.578 3.263 1.00 0.00 H new ATOM 0 HG LEU A 545 -1.250 6.015 2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -1.480 5.400 4.866 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -0.608 6.937 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 545 -2.308 6.943 5.182 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -3.193 4.688 3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 545 -4.134 6.185 3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -3.560 5.711 1.801 1.00 0.00 H new ATOM 273 N GLN A 546 -2.588 10.691 2.771 1.00 0.00 N ATOM 274 CA GLN A 546 -2.529 12.102 3.113 1.00 0.00 C ATOM 275 C GLN A 546 -2.660 12.960 1.854 1.00 0.00 C ATOM 276 O GLN A 546 -3.022 14.133 1.932 1.00 0.00 O ATOM 277 CB GLN A 546 -1.239 12.429 3.868 1.00 0.00 C ATOM 278 CG GLN A 546 -0.009 12.111 3.014 1.00 0.00 C ATOM 279 CD GLN A 546 0.385 10.638 3.148 1.00 0.00 C ATOM 280 OE1 GLN A 546 0.705 10.149 4.219 1.00 0.00 O ATOM 281 NE2 GLN A 546 0.344 9.961 2.004 1.00 0.00 N ATOM 0 H GLN A 546 -1.739 10.320 2.344 1.00 0.00 H new ATOM 0 HA GLN A 546 -3.366 12.331 3.773 1.00 0.00 H new ATOM 0 HB2 GLN A 546 -1.232 13.483 4.144 1.00 0.00 H new ATOM 0 HB3 GLN A 546 -1.201 11.857 4.795 1.00 0.00 H new ATOM 0 HG2 GLN A 546 -0.217 12.342 1.969 1.00 0.00 H new ATOM 0 HG3 GLN A 546 0.824 12.743 3.320 1.00 0.00 H new ATOM 0 HE21 GLN A 546 0.067 10.432 1.142 1.00 0.00 H new ATOM 0 HE22 GLN A 546 0.589 8.971 1.988 1.00 0.00 H new ATOM 290 N LEU A 547 -2.360 12.342 0.721 1.00 0.00 N ATOM 291 CA LEU A 547 -2.440 13.034 -0.554 1.00 0.00 C ATOM 292 C LEU A 547 -1.084 13.670 -0.870 1.00 0.00 C ATOM 293 O LEU A 547 -1.022 14.740 -1.474 1.00 0.00 O ATOM 294 CB LEU A 547 -3.601 14.031 -0.550 1.00 0.00 C ATOM 295 CG LEU A 547 -4.247 14.313 -1.908 1.00 0.00 C ATOM 296 CD1 LEU A 547 -3.228 14.896 -2.889 1.00 0.00 C ATOM 297 CD2 LEU A 547 -4.924 13.058 -2.464 1.00 0.00 C ATOM 0 H LEU A 547 -2.061 11.369 0.660 1.00 0.00 H new ATOM 0 HA LEU A 547 -2.657 12.330 -1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 547 -4.371 13.659 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 547 -3.243 14.974 -0.137 1.00 0.00 H new ATOM 0 HG LEU A 547 -5.025 15.063 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 547 -3.713 15.087 -3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 547 -2.832 15.830 -2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 547 -2.412 14.187 -3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 547 -5.375 13.286 -3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 547 -4.182 12.269 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 547 -5.697 12.725 -1.772 1.00 0.00 H new ATOM 309 N THR A 548 -0.032 12.985 -0.446 1.00 0.00 N ATOM 310 CA THR A 548 1.318 13.470 -0.677 1.00 0.00 C ATOM 311 C THR A 548 2.187 12.362 -1.277 1.00 0.00 C ATOM 312 O THR A 548 2.876 12.580 -2.272 1.00 0.00 O ATOM 313 CB THR A 548 1.857 14.015 0.647 1.00 0.00 C ATOM 314 OG1 THR A 548 0.939 15.046 0.998 1.00 0.00 O ATOM 315 CG2 THR A 548 3.191 14.745 0.481 1.00 0.00 C ATOM 0 H THR A 548 -0.087 12.099 0.056 1.00 0.00 H new ATOM 0 HA THR A 548 1.328 14.280 -1.407 1.00 0.00 H new ATOM 0 HB THR A 548 1.978 13.194 1.354 1.00 0.00 H new ATOM 0 HG1 THR A 548 1.213 15.453 1.847 1.00 0.00 H new ATOM 0 HG21 THR A 548 3.528 15.111 1.451 1.00 0.00 H new ATOM 0 HG22 THR A 548 3.933 14.058 0.074 1.00 0.00 H new ATOM 0 HG23 THR A 548 3.063 15.586 -0.200 1.00 0.00 H new ATOM 323 N ALA A 549 2.126 11.199 -0.646 1.00 0.00 N ATOM 324 CA ALA A 549 2.899 10.057 -1.105 1.00 0.00 C ATOM 325 C ALA A 549 4.307 10.128 -0.510 1.00 0.00 C ATOM 326 O ALA A 549 5.060 9.157 -0.572 1.00 0.00 O ATOM 327 CB ALA A 549 2.912 10.032 -2.634 1.00 0.00 C ATOM 0 H ALA A 549 1.553 11.022 0.179 1.00 0.00 H new ATOM 0 HA ALA A 549 2.446 9.125 -0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 549 3.492 9.176 -2.979 1.00 0.00 H new ATOM 0 HB2 ALA A 549 1.890 9.952 -3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 549 3.363 10.951 -3.009 1.00 0.00 H new ATOM 333 N ASP A 550 4.620 11.286 0.053 1.00 0.00 N ATOM 334 CA ASP A 550 5.924 11.495 0.658 1.00 0.00 C ATOM 335 C ASP A 550 6.065 10.589 1.882 1.00 0.00 C ATOM 336 O ASP A 550 7.113 9.981 2.092 1.00 0.00 O ATOM 337 CB ASP A 550 6.090 12.944 1.120 1.00 0.00 C ATOM 338 CG ASP A 550 7.535 13.443 1.175 1.00 0.00 C ATOM 339 OD1 ASP A 550 8.117 13.620 0.083 1.00 0.00 O ATOM 340 OD2 ASP A 550 8.026 13.637 2.309 1.00 0.00 O ATOM 0 H ASP A 550 3.993 12.089 0.103 1.00 0.00 H new ATOM 0 HA ASP A 550 6.683 11.265 -0.089 1.00 0.00 H new ATOM 0 HB2 ASP A 550 5.523 13.590 0.450 1.00 0.00 H new ATOM 0 HB3 ASP A 550 5.648 13.047 2.111 1.00 0.00 H new ATOM 345 N GLN A 551 4.993 10.527 2.660 1.00 0.00 N ATOM 346 CA GLN A 551 4.984 9.705 3.858 1.00 0.00 C ATOM 347 C GLN A 551 5.191 8.234 3.494 1.00 0.00 C ATOM 348 O GLN A 551 5.967 7.533 4.142 1.00 0.00 O ATOM 349 CB GLN A 551 3.687 9.898 4.645 1.00 0.00 C ATOM 350 CG GLN A 551 3.628 11.292 5.272 1.00 0.00 C ATOM 351 CD GLN A 551 4.075 12.362 4.274 1.00 0.00 C ATOM 352 OE1 GLN A 551 5.045 13.072 4.478 1.00 0.00 O ATOM 353 NE2 GLN A 551 3.315 12.437 3.185 1.00 0.00 N ATOM 0 H GLN A 551 4.125 11.033 2.483 1.00 0.00 H new ATOM 0 HA GLN A 551 5.809 10.020 4.497 1.00 0.00 H new ATOM 0 HB2 GLN A 551 2.832 9.756 3.984 1.00 0.00 H new ATOM 0 HB3 GLN A 551 3.615 9.141 5.426 1.00 0.00 H new ATOM 0 HG2 GLN A 551 2.612 11.502 5.605 1.00 0.00 H new ATOM 0 HG3 GLN A 551 4.266 11.325 6.155 1.00 0.00 H new ATOM 0 HE21 GLN A 551 2.516 11.812 3.076 1.00 0.00 H new ATOM 0 HE22 GLN A 551 3.531 13.120 2.458 1.00 0.00 H new ATOM 362 N ILE A 552 4.484 7.808 2.457 1.00 0.00 N ATOM 363 CA ILE A 552 4.580 6.433 1.999 1.00 0.00 C ATOM 364 C ILE A 552 5.907 6.237 1.263 1.00 0.00 C ATOM 365 O ILE A 552 6.438 5.128 1.218 1.00 0.00 O ATOM 366 CB ILE A 552 3.354 6.058 1.165 1.00 0.00 C ATOM 367 CG1 ILE A 552 2.061 6.341 1.934 1.00 0.00 C ATOM 368 CG2 ILE A 552 3.434 4.605 0.693 1.00 0.00 C ATOM 369 CD1 ILE A 552 1.465 5.049 2.497 1.00 0.00 C ATOM 0 H ILE A 552 3.842 8.392 1.921 1.00 0.00 H new ATOM 0 HA ILE A 552 4.580 5.749 2.847 1.00 0.00 H new ATOM 0 HB ILE A 552 3.343 6.685 0.273 1.00 0.00 H new ATOM 0 HG12 ILE A 552 2.262 7.038 2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 552 1.339 6.822 1.274 1.00 0.00 H new ATOM 0 HG21 ILE A 552 2.550 4.365 0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 552 4.326 4.470 0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 552 3.483 3.944 1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 552 0.547 5.278 3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 552 1.242 4.364 1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 552 2.180 4.584 3.175 1.00 0.00 H new ATOM 381 N ALA A 553 6.405 7.330 0.705 1.00 0.00 N ATOM 382 CA ALA A 553 7.660 7.293 -0.027 1.00 0.00 C ATOM 383 C ALA A 553 8.781 6.850 0.915 1.00 0.00 C ATOM 384 O ALA A 553 9.792 6.308 0.471 1.00 0.00 O ATOM 385 CB ALA A 553 7.929 8.664 -0.650 1.00 0.00 C ATOM 0 H ALA A 553 5.962 8.248 0.745 1.00 0.00 H new ATOM 0 HA ALA A 553 7.608 6.570 -0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 553 8.870 8.636 -1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 553 7.118 8.919 -1.333 1.00 0.00 H new ATOM 0 HB3 ALA A 553 7.990 9.416 0.137 1.00 0.00 H new ATOM 391 N MET A 554 8.564 7.096 2.199 1.00 0.00 N ATOM 392 CA MET A 554 9.544 6.730 3.207 1.00 0.00 C ATOM 393 C MET A 554 9.430 5.247 3.569 1.00 0.00 C ATOM 394 O MET A 554 10.247 4.725 4.326 1.00 0.00 O ATOM 395 CB MET A 554 9.329 7.579 4.461 1.00 0.00 C ATOM 396 CG MET A 554 8.225 6.989 5.340 1.00 0.00 C ATOM 397 SD MET A 554 8.942 6.193 6.768 1.00 0.00 S ATOM 398 CE MET A 554 9.559 7.622 7.643 1.00 0.00 C ATOM 0 H MET A 554 7.724 7.544 2.564 1.00 0.00 H new ATOM 0 HA MET A 554 10.539 6.911 2.801 1.00 0.00 H new ATOM 0 HB2 MET A 554 10.258 7.638 5.028 1.00 0.00 H new ATOM 0 HB3 MET A 554 9.065 8.597 4.174 1.00 0.00 H new ATOM 0 HG2 MET A 554 7.541 7.777 5.657 1.00 0.00 H new ATOM 0 HG3 MET A 554 7.639 6.269 4.768 1.00 0.00 H new ATOM 0 HE1 MET A 554 9.529 7.433 8.716 1.00 0.00 H new ATOM 0 HE2 MET A 554 10.587 7.820 7.338 1.00 0.00 H new ATOM 0 HE3 MET A 554 8.939 8.487 7.410 1.00 0.00 H new ATOM 408 N LEU A 555 8.411 4.611 3.010 1.00 0.00 N ATOM 409 CA LEU A 555 8.180 3.200 3.264 1.00 0.00 C ATOM 410 C LEU A 555 8.824 2.373 2.150 1.00 0.00 C ATOM 411 O LEU A 555 8.944 2.838 1.017 1.00 0.00 O ATOM 412 CB LEU A 555 6.686 2.926 3.448 1.00 0.00 C ATOM 413 CG LEU A 555 6.008 3.658 4.608 1.00 0.00 C ATOM 414 CD1 LEU A 555 4.485 3.618 4.467 1.00 0.00 C ATOM 415 CD2 LEU A 555 6.473 3.101 5.955 1.00 0.00 C ATOM 0 H LEU A 555 7.736 5.047 2.382 1.00 0.00 H new ATOM 0 HA LEU A 555 8.653 2.899 4.199 1.00 0.00 H new ATOM 0 HB2 LEU A 555 6.171 3.194 2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 555 6.548 1.854 3.591 1.00 0.00 H new ATOM 0 HG LEU A 555 6.307 4.705 4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 555 4.028 4.145 5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 555 4.193 4.098 3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 555 4.147 2.582 4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 555 5.976 3.639 6.762 1.00 0.00 H new ATOM 0 HD22 LEU A 555 6.223 2.042 6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 555 7.552 3.225 6.047 1.00 0.00 H new ATOM 427 N PRO A 556 9.231 1.129 2.518 1.00 0.00 N ATOM 428 CA PRO A 556 9.859 0.233 1.563 1.00 0.00 C ATOM 429 C PRO A 556 8.825 -0.353 0.599 1.00 0.00 C ATOM 430 O PRO A 556 7.628 -0.119 0.750 1.00 0.00 O ATOM 431 CB PRO A 556 10.549 -0.824 2.409 1.00 0.00 C ATOM 432 CG PRO A 556 9.899 -0.750 3.781 1.00 0.00 C ATOM 433 CD PRO A 556 9.104 0.544 3.850 1.00 0.00 C ATOM 0 HA PRO A 556 10.578 0.741 0.920 1.00 0.00 H new ATOM 0 HB2 PRO A 556 10.427 -1.815 1.972 1.00 0.00 H new ATOM 0 HB3 PRO A 556 11.620 -0.634 2.474 1.00 0.00 H new ATOM 0 HG2 PRO A 556 9.246 -1.608 3.941 1.00 0.00 H new ATOM 0 HG3 PRO A 556 10.657 -0.775 4.564 1.00 0.00 H new ATOM 0 HD2 PRO A 556 8.060 0.355 4.101 1.00 0.00 H new ATOM 0 HD3 PRO A 556 9.500 1.212 4.615 1.00 0.00 H new ATOM 441 N PRO A 557 9.340 -1.125 -0.396 1.00 0.00 N ATOM 442 CA PRO A 557 8.475 -1.747 -1.384 1.00 0.00 C ATOM 443 C PRO A 557 7.736 -2.947 -0.788 1.00 0.00 C ATOM 444 O PRO A 557 6.536 -3.111 -1.003 1.00 0.00 O ATOM 445 CB PRO A 557 9.397 -2.127 -2.530 1.00 0.00 C ATOM 446 CG PRO A 557 10.803 -2.128 -1.952 1.00 0.00 C ATOM 447 CD PRO A 557 10.753 -1.425 -0.605 1.00 0.00 C ATOM 0 HA PRO A 557 7.685 -1.081 -1.730 1.00 0.00 H new ATOM 0 HB2 PRO A 557 9.139 -3.107 -2.930 1.00 0.00 H new ATOM 0 HB3 PRO A 557 9.313 -1.415 -3.351 1.00 0.00 H new ATOM 0 HG2 PRO A 557 11.168 -3.149 -1.837 1.00 0.00 H new ATOM 0 HG3 PRO A 557 11.493 -1.617 -2.624 1.00 0.00 H new ATOM 0 HD2 PRO A 557 11.144 -2.061 0.189 1.00 0.00 H new ATOM 0 HD3 PRO A 557 11.354 -0.516 -0.610 1.00 0.00 H new ATOM 455 N GLU A 558 8.483 -3.755 -0.050 1.00 0.00 N ATOM 456 CA GLU A 558 7.914 -4.935 0.579 1.00 0.00 C ATOM 457 C GLU A 558 6.814 -4.533 1.564 1.00 0.00 C ATOM 458 O GLU A 558 6.042 -5.377 2.015 1.00 0.00 O ATOM 459 CB GLU A 558 8.997 -5.762 1.274 1.00 0.00 C ATOM 460 CG GLU A 558 8.452 -7.124 1.709 1.00 0.00 C ATOM 461 CD GLU A 558 9.578 -8.153 1.826 1.00 0.00 C ATOM 462 OE1 GLU A 558 10.266 -8.126 2.870 1.00 0.00 O ATOM 463 OE2 GLU A 558 9.726 -8.943 0.869 1.00 0.00 O ATOM 0 H GLU A 558 9.478 -3.616 0.127 1.00 0.00 H new ATOM 0 HA GLU A 558 7.470 -5.558 -0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 558 9.841 -5.903 0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 558 9.371 -5.221 2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 558 7.943 -7.027 2.668 1.00 0.00 H new ATOM 0 HG3 GLU A 558 7.711 -7.470 0.988 1.00 0.00 H new ATOM 470 N GLN A 559 6.778 -3.244 1.868 1.00 0.00 N ATOM 471 CA GLN A 559 5.786 -2.720 2.791 1.00 0.00 C ATOM 472 C GLN A 559 4.715 -1.936 2.030 1.00 0.00 C ATOM 473 O GLN A 559 3.547 -1.940 2.415 1.00 0.00 O ATOM 474 CB GLN A 559 6.442 -1.852 3.866 1.00 0.00 C ATOM 475 CG GLN A 559 6.792 -2.682 5.103 1.00 0.00 C ATOM 476 CD GLN A 559 6.123 -2.110 6.355 1.00 0.00 C ATOM 477 OE1 GLN A 559 4.910 -2.015 6.453 1.00 0.00 O ATOM 478 NE2 GLN A 559 6.978 -1.737 7.302 1.00 0.00 N ATOM 0 H GLN A 559 7.420 -2.547 1.491 1.00 0.00 H new ATOM 0 HA GLN A 559 5.305 -3.560 3.293 1.00 0.00 H new ATOM 0 HB2 GLN A 559 7.345 -1.391 3.465 1.00 0.00 H new ATOM 0 HB3 GLN A 559 5.768 -1.042 4.146 1.00 0.00 H new ATOM 0 HG2 GLN A 559 6.473 -3.714 4.955 1.00 0.00 H new ATOM 0 HG3 GLN A 559 7.873 -2.699 5.240 1.00 0.00 H new ATOM 0 HE21 GLN A 559 7.981 -1.845 7.154 1.00 0.00 H new ATOM 0 HE22 GLN A 559 6.631 -1.343 8.176 1.00 0.00 H new ATOM 487 N ARG A 560 5.152 -1.281 0.964 1.00 0.00 N ATOM 488 CA ARG A 560 4.245 -0.494 0.146 1.00 0.00 C ATOM 489 C ARG A 560 2.969 -1.286 -0.146 1.00 0.00 C ATOM 490 O ARG A 560 1.872 -0.850 0.196 1.00 0.00 O ATOM 491 CB ARG A 560 4.903 -0.094 -1.176 1.00 0.00 C ATOM 492 CG ARG A 560 4.540 1.342 -1.557 1.00 0.00 C ATOM 493 CD ARG A 560 5.796 2.199 -1.726 1.00 0.00 C ATOM 494 NE ARG A 560 6.801 1.471 -2.533 1.00 0.00 N ATOM 495 CZ ARG A 560 7.963 1.998 -2.941 1.00 0.00 C ATOM 496 NH1 ARG A 560 8.274 3.262 -2.620 1.00 0.00 N ATOM 497 NH2 ARG A 560 8.813 1.263 -3.670 1.00 0.00 N ATOM 0 H ARG A 560 6.122 -1.279 0.648 1.00 0.00 H new ATOM 0 HA ARG A 560 3.996 0.409 0.703 1.00 0.00 H new ATOM 0 HB2 ARG A 560 5.986 -0.189 -1.091 1.00 0.00 H new ATOM 0 HB3 ARG A 560 4.585 -0.775 -1.965 1.00 0.00 H new ATOM 0 HG2 ARG A 560 3.968 1.342 -2.485 1.00 0.00 H new ATOM 0 HG3 ARG A 560 3.901 1.775 -0.788 1.00 0.00 H new ATOM 0 HD2 ARG A 560 5.541 3.141 -2.211 1.00 0.00 H new ATOM 0 HD3 ARG A 560 6.212 2.446 -0.749 1.00 0.00 H new ATOM 0 HE ARG A 560 6.596 0.507 -2.795 1.00 0.00 H new ATOM 0 HH11 ARG A 560 7.626 3.822 -2.066 1.00 0.00 H new ATOM 0 HH12 ARG A 560 9.159 3.664 -2.930 1.00 0.00 H new ATOM 0 HH21 ARG A 560 8.576 0.302 -3.915 1.00 0.00 H new ATOM 0 HH22 ARG A 560 9.698 1.665 -3.980 1.00 0.00 H new ATOM 511 N GLN A 561 3.157 -2.437 -0.775 1.00 0.00 N ATOM 512 CA GLN A 561 2.034 -3.294 -1.117 1.00 0.00 C ATOM 513 C GLN A 561 1.197 -3.594 0.128 1.00 0.00 C ATOM 514 O GLN A 561 -0.010 -3.808 0.032 1.00 0.00 O ATOM 515 CB GLN A 561 2.514 -4.587 -1.780 1.00 0.00 C ATOM 516 CG GLN A 561 1.402 -5.216 -2.622 1.00 0.00 C ATOM 517 CD GLN A 561 1.062 -6.621 -2.120 1.00 0.00 C ATOM 518 OE1 GLN A 561 1.166 -7.605 -2.833 1.00 0.00 O ATOM 519 NE2 GLN A 561 0.651 -6.658 -0.855 1.00 0.00 N ATOM 0 H GLN A 561 4.069 -2.796 -1.057 1.00 0.00 H new ATOM 0 HA GLN A 561 1.405 -2.768 -1.835 1.00 0.00 H new ATOM 0 HB2 GLN A 561 3.378 -4.378 -2.410 1.00 0.00 H new ATOM 0 HB3 GLN A 561 2.840 -5.293 -1.016 1.00 0.00 H new ATOM 0 HG2 GLN A 561 0.512 -4.587 -2.584 1.00 0.00 H new ATOM 0 HG3 GLN A 561 1.714 -5.264 -3.665 1.00 0.00 H new ATOM 0 HE21 GLN A 561 0.587 -5.796 -0.314 1.00 0.00 H new ATOM 0 HE22 GLN A 561 0.400 -7.549 -0.426 1.00 0.00 H new ATOM 528 N SER A 562 1.872 -3.601 1.268 1.00 0.00 N ATOM 529 CA SER A 562 1.206 -3.872 2.531 1.00 0.00 C ATOM 530 C SER A 562 -0.016 -2.963 2.683 1.00 0.00 C ATOM 531 O SER A 562 -1.029 -3.369 3.250 1.00 0.00 O ATOM 532 CB SER A 562 2.161 -3.679 3.710 1.00 0.00 C ATOM 533 OG SER A 562 1.835 -4.530 4.806 1.00 0.00 O ATOM 0 H SER A 562 2.874 -3.423 1.344 1.00 0.00 H new ATOM 0 HA SER A 562 0.880 -4.912 2.530 1.00 0.00 H new ATOM 0 HB2 SER A 562 3.182 -3.880 3.386 1.00 0.00 H new ATOM 0 HB3 SER A 562 2.129 -2.639 4.036 1.00 0.00 H new ATOM 0 HG SER A 562 2.469 -4.378 5.538 1.00 0.00 H new ATOM 539 N ILE A 563 0.121 -1.750 2.166 1.00 0.00 N ATOM 540 CA ILE A 563 -0.959 -0.781 2.238 1.00 0.00 C ATOM 541 C ILE A 563 -2.168 -1.312 1.465 1.00 0.00 C ATOM 542 O ILE A 563 -3.307 -1.148 1.898 1.00 0.00 O ATOM 543 CB ILE A 563 -0.479 0.592 1.761 1.00 0.00 C ATOM 544 CG1 ILE A 563 0.697 1.085 2.605 1.00 0.00 C ATOM 545 CG2 ILE A 563 -1.631 1.598 1.739 1.00 0.00 C ATOM 546 CD1 ILE A 563 0.303 1.202 4.079 1.00 0.00 C ATOM 0 H ILE A 563 0.963 -1.417 1.696 1.00 0.00 H new ATOM 0 HA ILE A 563 -1.277 -0.641 3.271 1.00 0.00 H new ATOM 0 HB ILE A 563 -0.120 0.492 0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 563 1.536 0.397 2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 563 1.033 2.054 2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 563 -1.263 2.565 1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 563 -2.409 1.245 1.062 1.00 0.00 H new ATOM 0 HG23 ILE A 563 -2.043 1.701 2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 563 1.157 1.554 4.657 1.00 0.00 H new ATOM 0 HD12 ILE A 563 -0.520 1.909 4.181 1.00 0.00 H new ATOM 0 HD13 ILE A 563 -0.009 0.226 4.451 1.00 0.00 H new ATOM 558 N LEU A 564 -1.878 -1.939 0.334 1.00 0.00 N ATOM 559 CA LEU A 564 -2.927 -2.496 -0.503 1.00 0.00 C ATOM 560 C LEU A 564 -3.700 -3.551 0.290 1.00 0.00 C ATOM 561 O LEU A 564 -4.922 -3.646 0.177 1.00 0.00 O ATOM 562 CB LEU A 564 -2.343 -3.019 -1.817 1.00 0.00 C ATOM 563 CG LEU A 564 -3.227 -3.988 -2.605 1.00 0.00 C ATOM 564 CD1 LEU A 564 -2.865 -3.976 -4.091 1.00 0.00 C ATOM 565 CD2 LEU A 564 -3.163 -5.396 -2.010 1.00 0.00 C ATOM 0 H LEU A 564 -0.932 -2.073 -0.022 1.00 0.00 H new ATOM 0 HA LEU A 564 -3.641 -1.722 -0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 564 -2.115 -2.165 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 564 -1.398 -3.516 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 564 -4.260 -3.651 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 564 -3.508 -4.673 -4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 564 -3.005 -2.972 -4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 564 -1.824 -4.274 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 564 -3.800 -6.065 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 564 -2.135 -5.757 -2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 564 -3.508 -5.370 -0.976 1.00 0.00 H new ATOM 577 N ILE A 565 -2.957 -4.317 1.075 1.00 0.00 N ATOM 578 CA ILE A 565 -3.558 -5.362 1.886 1.00 0.00 C ATOM 579 C ILE A 565 -4.439 -4.724 2.962 1.00 0.00 C ATOM 580 O ILE A 565 -5.574 -5.148 3.172 1.00 0.00 O ATOM 581 CB ILE A 565 -2.479 -6.292 2.447 1.00 0.00 C ATOM 582 CG1 ILE A 565 -1.677 -6.944 1.319 1.00 0.00 C ATOM 583 CG2 ILE A 565 -3.087 -7.330 3.392 1.00 0.00 C ATOM 584 CD1 ILE A 565 -0.407 -7.603 1.860 1.00 0.00 C ATOM 0 H ILE A 565 -1.944 -4.235 1.167 1.00 0.00 H new ATOM 0 HA ILE A 565 -4.205 -5.992 1.276 1.00 0.00 H new ATOM 0 HB ILE A 565 -1.782 -5.693 3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 565 -2.292 -7.690 0.815 1.00 0.00 H new ATOM 0 HG13 ILE A 565 -1.413 -6.193 0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 565 -2.299 -7.978 3.776 1.00 0.00 H new ATOM 0 HG22 ILE A 565 -3.577 -6.823 4.223 1.00 0.00 H new ATOM 0 HG23 ILE A 565 -3.819 -7.930 2.851 1.00 0.00 H new ATOM 0 HD11 ILE A 565 0.145 -8.059 1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 565 0.217 -6.850 2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 565 -0.676 -8.370 2.586 1.00 0.00 H new ATOM 596 N LEU A 566 -3.882 -3.714 3.615 1.00 0.00 N ATOM 597 CA LEU A 566 -4.603 -3.013 4.664 1.00 0.00 C ATOM 598 C LEU A 566 -5.786 -2.262 4.049 1.00 0.00 C ATOM 599 O LEU A 566 -6.839 -2.137 4.673 1.00 0.00 O ATOM 600 CB LEU A 566 -3.653 -2.117 5.460 1.00 0.00 C ATOM 601 CG LEU A 566 -3.687 -2.287 6.981 1.00 0.00 C ATOM 602 CD1 LEU A 566 -2.369 -2.866 7.497 1.00 0.00 C ATOM 603 CD2 LEU A 566 -4.045 -0.970 7.672 1.00 0.00 C ATOM 0 H LEU A 566 -2.940 -3.365 3.438 1.00 0.00 H new ATOM 0 HA LEU A 566 -5.014 -3.722 5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -2.636 -2.304 5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -3.883 -1.078 5.225 1.00 0.00 H new ATOM 0 HG LEU A 566 -4.471 -3.003 7.228 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -2.420 -2.977 8.580 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -2.196 -3.840 7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -1.551 -2.194 7.239 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -4.062 -1.119 8.752 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -3.301 -0.214 7.422 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -5.027 -0.638 7.336 1.00 0.00 H new ATOM 615 N LYS A 567 -5.573 -1.781 2.833 1.00 0.00 N ATOM 616 CA LYS A 567 -6.608 -1.046 2.127 1.00 0.00 C ATOM 617 C LYS A 567 -7.827 -1.949 1.931 1.00 0.00 C ATOM 618 O LYS A 567 -8.965 -1.488 2.007 1.00 0.00 O ATOM 619 CB LYS A 567 -6.058 -0.465 0.822 1.00 0.00 C ATOM 620 CG LYS A 567 -6.042 1.065 0.867 1.00 0.00 C ATOM 621 CD LYS A 567 -7.453 1.633 0.702 1.00 0.00 C ATOM 622 CE LYS A 567 -7.860 2.456 1.925 1.00 0.00 C ATOM 623 NZ LYS A 567 -9.269 2.893 1.811 1.00 0.00 N ATOM 0 H LYS A 567 -4.698 -1.886 2.319 1.00 0.00 H new ATOM 0 HA LYS A 567 -6.936 -0.190 2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 567 -5.048 -0.838 0.651 1.00 0.00 H new ATOM 0 HB3 LYS A 567 -6.669 -0.801 -0.016 1.00 0.00 H new ATOM 0 HG2 LYS A 567 -5.620 1.400 1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 567 -5.397 1.449 0.077 1.00 0.00 H new ATOM 0 HD2 LYS A 567 -7.495 2.257 -0.191 1.00 0.00 H new ATOM 0 HD3 LYS A 567 -8.162 0.818 0.555 1.00 0.00 H new ATOM 0 HE2 LYS A 567 -7.729 1.862 2.830 1.00 0.00 H new ATOM 0 HE3 LYS A 567 -7.210 3.326 2.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 -9.503 3.520 2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 -9.402 3.405 0.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 -9.893 2.061 1.830 1.00 0.00 H new ATOM 637 N GLU A 568 -7.547 -3.221 1.683 1.00 0.00 N ATOM 638 CA GLU A 568 -8.607 -4.193 1.476 1.00 0.00 C ATOM 639 C GLU A 568 -9.452 -4.335 2.743 1.00 0.00 C ATOM 640 O GLU A 568 -10.676 -4.435 2.669 1.00 0.00 O ATOM 641 CB GLU A 568 -8.034 -5.545 1.045 1.00 0.00 C ATOM 642 CG GLU A 568 -8.265 -5.788 -0.447 1.00 0.00 C ATOM 643 CD GLU A 568 -9.744 -6.053 -0.737 1.00 0.00 C ATOM 644 OE1 GLU A 568 -10.512 -5.067 -0.711 1.00 0.00 O ATOM 645 OE2 GLU A 568 -10.072 -7.235 -0.978 1.00 0.00 O ATOM 0 H GLU A 568 -6.602 -3.600 1.621 1.00 0.00 H new ATOM 0 HA GLU A 568 -9.250 -3.835 0.672 1.00 0.00 H new ATOM 0 HB2 GLU A 568 -6.966 -5.577 1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 568 -8.500 -6.343 1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 568 -7.929 -4.922 -1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 568 -7.668 -6.638 -0.777 1.00 0.00 H new ATOM 652 N GLN A 569 -8.766 -4.339 3.877 1.00 0.00 N ATOM 653 CA GLN A 569 -9.439 -4.467 5.158 1.00 0.00 C ATOM 654 C GLN A 569 -10.276 -3.219 5.445 1.00 0.00 C ATOM 655 O GLN A 569 -11.378 -3.316 5.982 1.00 0.00 O ATOM 656 CB GLN A 569 -8.433 -4.722 6.283 1.00 0.00 C ATOM 657 CG GLN A 569 -8.237 -6.222 6.513 1.00 0.00 C ATOM 658 CD GLN A 569 -6.979 -6.490 7.342 1.00 0.00 C ATOM 659 OE1 GLN A 569 -6.882 -6.129 8.503 1.00 0.00 O ATOM 660 NE2 GLN A 569 -6.025 -7.141 6.683 1.00 0.00 N ATOM 0 H GLN A 569 -7.751 -4.256 3.935 1.00 0.00 H new ATOM 0 HA GLN A 569 -10.108 -5.327 5.110 1.00 0.00 H new ATOM 0 HB2 GLN A 569 -7.478 -4.261 6.033 1.00 0.00 H new ATOM 0 HB3 GLN A 569 -8.783 -4.252 7.202 1.00 0.00 H new ATOM 0 HG2 GLN A 569 -9.108 -6.632 7.024 1.00 0.00 H new ATOM 0 HG3 GLN A 569 -8.160 -6.734 5.554 1.00 0.00 H new ATOM 0 HE21 GLN A 569 -6.172 -7.414 5.711 1.00 0.00 H new ATOM 0 HE22 GLN A 569 -5.146 -7.367 7.149 1.00 0.00 H new ATOM 669 N ILE A 570 -9.721 -2.074 5.074 1.00 0.00 N ATOM 670 CA ILE A 570 -10.403 -0.809 5.285 1.00 0.00 C ATOM 671 C ILE A 570 -11.743 -0.828 4.547 1.00 0.00 C ATOM 672 O ILE A 570 -12.724 -0.256 5.020 1.00 0.00 O ATOM 673 CB ILE A 570 -9.498 0.360 4.888 1.00 0.00 C ATOM 674 CG1 ILE A 570 -8.308 0.481 5.842 1.00 0.00 C ATOM 675 CG2 ILE A 570 -10.295 1.663 4.796 1.00 0.00 C ATOM 676 CD1 ILE A 570 -7.362 1.598 5.398 1.00 0.00 C ATOM 0 H ILE A 570 -8.807 -1.996 4.629 1.00 0.00 H new ATOM 0 HA ILE A 570 -10.623 -0.666 6.343 1.00 0.00 H new ATOM 0 HB ILE A 570 -9.095 0.159 3.896 1.00 0.00 H new ATOM 0 HG12 ILE A 570 -8.666 0.682 6.852 1.00 0.00 H new ATOM 0 HG13 ILE A 570 -7.768 -0.465 5.878 1.00 0.00 H new ATOM 0 HG21 ILE A 570 -9.629 2.478 4.512 1.00 0.00 H new ATOM 0 HG22 ILE A 570 -11.079 1.558 4.046 1.00 0.00 H new ATOM 0 HG23 ILE A 570 -10.746 1.883 5.764 1.00 0.00 H new ATOM 0 HD11 ILE A 570 -6.525 1.663 6.093 1.00 0.00 H new ATOM 0 HD12 ILE A 570 -6.987 1.381 4.398 1.00 0.00 H new ATOM 0 HD13 ILE A 570 -7.899 2.547 5.387 1.00 0.00 H new ATOM 688 N GLN A 571 -11.741 -1.491 3.400 1.00 0.00 N ATOM 689 CA GLN A 571 -12.945 -1.591 2.592 1.00 0.00 C ATOM 690 C GLN A 571 -14.055 -2.292 3.378 1.00 0.00 C ATOM 691 O GLN A 571 -15.234 -1.997 3.191 1.00 0.00 O ATOM 692 CB GLN A 571 -12.662 -2.318 1.276 1.00 0.00 C ATOM 693 CG GLN A 571 -11.876 -1.425 0.314 1.00 0.00 C ATOM 694 CD GLN A 571 -12.576 -0.078 0.119 1.00 0.00 C ATOM 695 OE1 GLN A 571 -13.788 0.036 0.189 1.00 0.00 O ATOM 696 NE2 GLN A 571 -11.747 0.932 -0.129 1.00 0.00 N ATOM 0 H GLN A 571 -10.925 -1.964 3.011 1.00 0.00 H new ATOM 0 HA GLN A 571 -13.281 -0.583 2.348 1.00 0.00 H new ATOM 0 HB2 GLN A 571 -12.098 -3.230 1.474 1.00 0.00 H new ATOM 0 HB3 GLN A 571 -13.602 -2.618 0.813 1.00 0.00 H new ATOM 0 HG2 GLN A 571 -10.870 -1.263 0.702 1.00 0.00 H new ATOM 0 HG3 GLN A 571 -11.770 -1.926 -0.648 1.00 0.00 H new ATOM 0 HE21 GLN A 571 -10.741 0.767 -0.174 1.00 0.00 H new ATOM 0 HE22 GLN A 571 -12.117 1.871 -0.274 1.00 0.00 H new ATOM 705 N LYS A 572 -13.638 -3.207 4.241 1.00 0.00 N ATOM 706 CA LYS A 572 -14.581 -3.952 5.056 1.00 0.00 C ATOM 707 C LYS A 572 -15.520 -4.746 4.145 1.00 0.00 C ATOM 708 O LYS A 572 -15.458 -4.620 2.923 1.00 0.00 O ATOM 709 CB LYS A 572 -15.309 -3.017 6.024 1.00 0.00 C ATOM 710 CG LYS A 572 -14.512 -2.839 7.318 1.00 0.00 C ATOM 711 CD LYS A 572 -15.129 -3.650 8.459 1.00 0.00 C ATOM 712 CE LYS A 572 -14.807 -3.021 9.815 1.00 0.00 C ATOM 713 NZ LYS A 572 -16.004 -2.354 10.375 1.00 0.00 N ATOM 0 H LYS A 572 -12.659 -3.449 4.393 1.00 0.00 H new ATOM 0 HA LYS A 572 -14.056 -4.674 5.681 1.00 0.00 H new ATOM 0 HB2 LYS A 572 -15.463 -2.047 5.551 1.00 0.00 H new ATOM 0 HB3 LYS A 572 -16.295 -3.421 6.253 1.00 0.00 H new ATOM 0 HG2 LYS A 572 -13.480 -3.154 7.160 1.00 0.00 H new ATOM 0 HG3 LYS A 572 -14.485 -1.784 7.590 1.00 0.00 H new ATOM 0 HD2 LYS A 572 -16.210 -3.706 8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 572 -14.751 -4.672 8.429 1.00 0.00 H new ATOM 0 HE2 LYS A 572 -14.455 -3.789 10.504 1.00 0.00 H new ATOM 0 HE3 LYS A 572 -13.999 -2.298 9.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 572 -15.768 -1.932 11.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 572 -16.322 -1.608 9.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 572 -16.764 -3.053 10.499 1.00 0.00 H new ATOM 727 N SER A 573 -16.369 -5.545 4.775 1.00 0.00 N ATOM 728 CA SER A 573 -17.319 -6.358 4.036 1.00 0.00 C ATOM 729 C SER A 573 -17.916 -5.549 2.883 1.00 0.00 C ATOM 730 O SER A 573 -18.236 -4.372 3.046 1.00 0.00 O ATOM 731 CB SER A 573 -18.430 -6.876 4.952 1.00 0.00 C ATOM 732 OG SER A 573 -18.731 -8.246 4.705 1.00 0.00 O ATOM 0 H SER A 573 -16.418 -5.646 5.789 1.00 0.00 H new ATOM 0 HA SER A 573 -16.788 -7.219 3.630 1.00 0.00 H new ATOM 0 HB2 SER A 573 -18.129 -6.753 5.992 1.00 0.00 H new ATOM 0 HB3 SER A 573 -19.328 -6.276 4.807 1.00 0.00 H new ATOM 0 HG SER A 573 -19.443 -8.539 5.311 1.00 0.00 H new ATOM 738 N THR A 574 -18.048 -6.211 1.743 1.00 0.00 N ATOM 739 CA THR A 574 -18.601 -5.568 0.564 1.00 0.00 C ATOM 740 C THR A 574 -19.413 -6.570 -0.259 1.00 0.00 C ATOM 741 O THR A 574 -18.967 -7.692 -0.493 1.00 0.00 O ATOM 742 CB THR A 574 -17.446 -4.937 -0.216 1.00 0.00 C ATOM 743 OG1 THR A 574 -18.075 -3.957 -1.037 1.00 0.00 O ATOM 744 CG2 THR A 574 -16.813 -5.909 -1.214 1.00 0.00 C ATOM 0 H THR A 574 -17.781 -7.187 1.611 1.00 0.00 H new ATOM 0 HA THR A 574 -19.300 -4.777 0.836 1.00 0.00 H new ATOM 0 HB THR A 574 -16.685 -4.587 0.482 1.00 0.00 H new ATOM 0 HG1 THR A 574 -17.397 -3.498 -1.576 1.00 0.00 H new ATOM 0 HG21 THR A 574 -15.999 -5.411 -1.741 1.00 0.00 H new ATOM 0 HG22 THR A 574 -16.423 -6.776 -0.680 1.00 0.00 H new ATOM 0 HG23 THR A 574 -17.565 -6.234 -1.933 1.00 0.00 H new ATOM 752 N GLY A 575 -20.591 -6.128 -0.675 1.00 0.00 N ATOM 753 CA GLY A 575 -21.470 -6.973 -1.467 1.00 0.00 C ATOM 754 C GLY A 575 -21.020 -7.014 -2.929 1.00 0.00 C ATOM 755 O GLY A 575 -21.370 -6.135 -3.715 1.00 0.00 O ATOM 0 H GLY A 575 -20.957 -5.196 -0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 575 -21.477 -7.983 -1.056 1.00 0.00 H new ATOM 0 HA3 GLY A 575 -22.492 -6.598 -1.408 1.00 0.00 H new ATOM 759 N ALA A 576 -20.250 -8.044 -3.249 1.00 0.00 N ATOM 760 CA ALA A 576 -19.748 -8.211 -4.602 1.00 0.00 C ATOM 761 C ALA A 576 -19.919 -9.671 -5.028 1.00 0.00 C ATOM 762 O ALA A 576 -19.994 -10.562 -4.184 1.00 0.00 O ATOM 763 CB ALA A 576 -18.291 -7.751 -4.667 1.00 0.00 C ATOM 0 H ALA A 576 -19.962 -8.771 -2.594 1.00 0.00 H new ATOM 0 HA ALA A 576 -20.315 -7.595 -5.300 1.00 0.00 H new ATOM 0 HB1 ALA A 576 -17.915 -7.877 -5.682 1.00 0.00 H new ATOM 0 HB2 ALA A 576 -18.228 -6.700 -4.384 1.00 0.00 H new ATOM 0 HB3 ALA A 576 -17.690 -8.348 -3.981 1.00 0.00 H new ATOM 769 N PRO A 577 -19.975 -9.875 -6.371 1.00 0.00 N ATOM 770 CA PRO A 577 -20.134 -11.211 -6.919 1.00 0.00 C ATOM 771 C PRO A 577 -18.830 -12.005 -6.818 1.00 0.00 C ATOM 772 O PRO A 577 -17.745 -11.426 -6.827 1.00 0.00 O ATOM 773 CB PRO A 577 -20.590 -10.997 -8.353 1.00 0.00 C ATOM 774 CG PRO A 577 -20.222 -9.562 -8.697 1.00 0.00 C ATOM 775 CD PRO A 577 -19.888 -8.843 -7.400 1.00 0.00 C ATOM 0 HA PRO A 577 -20.862 -11.807 -6.369 1.00 0.00 H new ATOM 0 HB2 PRO A 577 -20.100 -11.699 -9.028 1.00 0.00 H new ATOM 0 HB3 PRO A 577 -21.664 -11.159 -8.450 1.00 0.00 H new ATOM 0 HG2 PRO A 577 -19.370 -9.539 -9.377 1.00 0.00 H new ATOM 0 HG3 PRO A 577 -21.049 -9.067 -9.206 1.00 0.00 H new ATOM 0 HD2 PRO A 577 -18.891 -8.403 -7.436 1.00 0.00 H new ATOM 0 HD3 PRO A 577 -20.588 -8.030 -7.206 1.00 0.00 H new TER 783 PRO A 577