USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=8 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 548 THR OG1 : rot 180:sc= -1.33 USER MOD Set 1.2: A 551 GLN : amide:sc= -3.5! C(o=-4.8!,f=-5.1!) USER MOD Set 2.1: A 533 GLN : amide:sc= -5.87! C(o=-4.8!,f=-15!) USER MOD Set 2.2: A 537 LYS NZ :NH3+ 134:sc= 1.09 (180deg=0) USER MOD Single : A 529 HIS : no HD1:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 530 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 531 THR OG1 : rot 180:sc= 0 USER MOD Single : A 535 HIS : no HD1:sc=-0.00285 X(o=-0.0028,f=-0.076) USER MOD Single : A 542 MET CE :methyl -117:sc= -4.44! (180deg=-5.74!) USER MOD Single : A 543 GLN : amide:sc= -2.65! C(o=-2.7!,f=-2!) USER MOD Single : A 546 GLN : amide:sc= -0.277 K(o=-0.28,f=-2.2!) USER MOD Single : A 554 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 559 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 561 GLN : amide:sc= -3.27! C(o=-3.3!,f=-10!) USER MOD Single : A 562 SER OG : rot 180:sc= 0 USER MOD Single : A 567 LYS NZ :NH3+ 155:sc= -0.476 (180deg=-1.05) USER MOD Single : A 569 GLN : amide:sc= -0.0106 X(o=-0.011,f=-0.07) USER MOD Single : A 571 GLN : amide:sc= -0.0454 X(o=-0.045,f=-0.33) USER MOD Single : A 572 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 573 SER OG : rot 180:sc= -0.0328 USER MOD Single : A 574 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 529 8.597 -13.588 -7.889 1.00 0.00 N ATOM 2 CA HIS A 529 8.716 -12.346 -7.144 1.00 0.00 C ATOM 3 C HIS A 529 7.665 -11.349 -7.637 1.00 0.00 C ATOM 4 O HIS A 529 7.745 -10.866 -8.765 1.00 0.00 O ATOM 5 CB HIS A 529 10.141 -11.796 -7.229 1.00 0.00 C ATOM 6 CG HIS A 529 11.124 -12.492 -6.318 1.00 0.00 C ATOM 7 ND1 HIS A 529 11.713 -11.866 -5.233 1.00 0.00 N ATOM 8 CD2 HIS A 529 11.613 -13.765 -6.340 1.00 0.00 C ATOM 9 CE1 HIS A 529 12.519 -12.732 -4.637 1.00 0.00 C ATOM 10 NE2 HIS A 529 12.456 -13.908 -5.325 1.00 0.00 N ATOM 0 HA HIS A 529 8.523 -12.532 -6.087 1.00 0.00 H new ATOM 0 HB2 HIS A 529 10.492 -11.881 -8.258 1.00 0.00 H new ATOM 0 HB3 HIS A 529 10.125 -10.734 -6.985 1.00 0.00 H new ATOM 0 HD2 HIS A 529 11.358 -14.527 -7.061 1.00 0.00 H new ATOM 0 HE1 HIS A 529 13.120 -12.541 -3.761 1.00 0.00 H new ATOM 0 HE2 HIS A 529 12.972 -14.758 -5.097 1.00 0.00 H new ATOM 18 N MET A 530 6.705 -11.072 -6.767 1.00 0.00 N ATOM 19 CA MET A 530 5.640 -10.142 -7.100 1.00 0.00 C ATOM 20 C MET A 530 6.170 -8.979 -7.941 1.00 0.00 C ATOM 21 O MET A 530 6.952 -8.163 -7.456 1.00 0.00 O ATOM 22 CB MET A 530 5.016 -9.598 -5.813 1.00 0.00 C ATOM 23 CG MET A 530 3.613 -10.170 -5.599 1.00 0.00 C ATOM 24 SD MET A 530 3.591 -11.204 -4.145 1.00 0.00 S ATOM 25 CE MET A 530 2.624 -12.575 -4.754 1.00 0.00 C ATOM 0 H MET A 530 6.643 -11.475 -5.832 1.00 0.00 H new ATOM 0 HA MET A 530 4.888 -10.674 -7.683 1.00 0.00 H new ATOM 0 HB2 MET A 530 5.649 -9.851 -4.963 1.00 0.00 H new ATOM 0 HB3 MET A 530 4.966 -8.510 -5.861 1.00 0.00 H new ATOM 0 HG2 MET A 530 2.893 -9.359 -5.489 1.00 0.00 H new ATOM 0 HG3 MET A 530 3.310 -10.749 -6.472 1.00 0.00 H new ATOM 0 HE1 MET A 530 2.512 -13.320 -3.966 1.00 0.00 H new ATOM 0 HE2 MET A 530 1.640 -12.219 -5.059 1.00 0.00 H new ATOM 0 HE3 MET A 530 3.128 -13.025 -5.609 1.00 0.00 H new ATOM 35 N THR A 531 5.724 -8.941 -9.188 1.00 0.00 N ATOM 36 CA THR A 531 6.144 -7.891 -10.101 1.00 0.00 C ATOM 37 C THR A 531 6.130 -6.534 -9.397 1.00 0.00 C ATOM 38 O THR A 531 5.581 -6.403 -8.303 1.00 0.00 O ATOM 39 CB THR A 531 5.238 -7.946 -11.333 1.00 0.00 C ATOM 40 OG1 THR A 531 3.950 -7.596 -10.833 1.00 0.00 O ATOM 41 CG2 THR A 531 5.057 -9.369 -11.864 1.00 0.00 C ATOM 0 H THR A 531 5.076 -9.620 -9.588 1.00 0.00 H new ATOM 0 HA THR A 531 7.173 -8.040 -10.429 1.00 0.00 H new ATOM 0 HB THR A 531 5.656 -7.316 -12.118 1.00 0.00 H new ATOM 0 HG1 THR A 531 3.301 -7.605 -11.567 1.00 0.00 H new ATOM 0 HG21 THR A 531 4.406 -9.351 -12.738 1.00 0.00 H new ATOM 0 HG22 THR A 531 6.027 -9.779 -12.143 1.00 0.00 H new ATOM 0 HG23 THR A 531 4.609 -9.992 -11.090 1.00 0.00 H new ATOM 49 N PRO A 532 6.756 -5.530 -10.069 1.00 0.00 N ATOM 50 CA PRO A 532 6.820 -4.187 -9.518 1.00 0.00 C ATOM 51 C PRO A 532 5.471 -3.477 -9.646 1.00 0.00 C ATOM 52 O PRO A 532 5.252 -2.436 -9.028 1.00 0.00 O ATOM 53 CB PRO A 532 7.930 -3.497 -10.295 1.00 0.00 C ATOM 54 CG PRO A 532 8.130 -4.320 -11.557 1.00 0.00 C ATOM 55 CD PRO A 532 7.416 -5.648 -11.365 1.00 0.00 C ATOM 0 HA PRO A 532 7.035 -4.180 -8.449 1.00 0.00 H new ATOM 0 HB2 PRO A 532 7.657 -2.470 -10.538 1.00 0.00 H new ATOM 0 HB3 PRO A 532 8.848 -3.452 -9.708 1.00 0.00 H new ATOM 0 HG2 PRO A 532 7.730 -3.793 -12.424 1.00 0.00 H new ATOM 0 HG3 PRO A 532 9.192 -4.481 -11.744 1.00 0.00 H new ATOM 0 HD2 PRO A 532 6.694 -5.828 -12.162 1.00 0.00 H new ATOM 0 HD3 PRO A 532 8.119 -6.481 -11.377 1.00 0.00 H new ATOM 63 N GLN A 533 4.601 -4.069 -10.451 1.00 0.00 N ATOM 64 CA GLN A 533 3.279 -3.506 -10.667 1.00 0.00 C ATOM 65 C GLN A 533 2.419 -3.674 -9.413 1.00 0.00 C ATOM 66 O GLN A 533 1.668 -2.772 -9.045 1.00 0.00 O ATOM 67 CB GLN A 533 2.604 -4.142 -11.885 1.00 0.00 C ATOM 68 CG GLN A 533 1.081 -4.030 -11.789 1.00 0.00 C ATOM 69 CD GLN A 533 0.517 -5.057 -10.806 1.00 0.00 C ATOM 70 OE1 GLN A 533 -0.218 -4.737 -9.886 1.00 0.00 O ATOM 71 NE2 GLN A 533 0.899 -6.307 -11.051 1.00 0.00 N ATOM 0 H GLN A 533 4.786 -4.933 -10.961 1.00 0.00 H new ATOM 0 HA GLN A 533 3.388 -2.440 -10.869 1.00 0.00 H new ATOM 0 HB2 GLN A 533 2.952 -3.652 -12.795 1.00 0.00 H new ATOM 0 HB3 GLN A 533 2.891 -5.191 -11.958 1.00 0.00 H new ATOM 0 HG2 GLN A 533 0.806 -3.025 -11.468 1.00 0.00 H new ATOM 0 HG3 GLN A 533 0.639 -4.183 -12.774 1.00 0.00 H new ATOM 0 HE21 GLN A 533 1.516 -6.507 -11.838 1.00 0.00 H new ATOM 0 HE22 GLN A 533 0.575 -7.066 -10.452 1.00 0.00 H new ATOM 80 N ASP A 534 2.556 -4.836 -8.792 1.00 0.00 N ATOM 81 CA ASP A 534 1.801 -5.135 -7.587 1.00 0.00 C ATOM 82 C ASP A 534 2.249 -4.197 -6.464 1.00 0.00 C ATOM 83 O ASP A 534 1.431 -3.748 -5.662 1.00 0.00 O ATOM 84 CB ASP A 534 2.043 -6.573 -7.127 1.00 0.00 C ATOM 85 CG ASP A 534 1.101 -7.068 -6.028 1.00 0.00 C ATOM 86 OD1 ASP A 534 0.912 -6.306 -5.056 1.00 0.00 O ATOM 87 OD2 ASP A 534 0.590 -8.199 -6.185 1.00 0.00 O ATOM 0 H ASP A 534 3.179 -5.582 -9.101 1.00 0.00 H new ATOM 0 HA ASP A 534 0.743 -5.002 -7.811 1.00 0.00 H new ATOM 0 HB2 ASP A 534 1.951 -7.234 -7.989 1.00 0.00 H new ATOM 0 HB3 ASP A 534 3.069 -6.656 -6.770 1.00 0.00 H new ATOM 92 N HIS A 535 3.546 -3.929 -6.443 1.00 0.00 N ATOM 93 CA HIS A 535 4.113 -3.054 -5.431 1.00 0.00 C ATOM 94 C HIS A 535 3.618 -1.623 -5.655 1.00 0.00 C ATOM 95 O HIS A 535 3.549 -0.832 -4.716 1.00 0.00 O ATOM 96 CB HIS A 535 5.640 -3.157 -5.417 1.00 0.00 C ATOM 97 CG HIS A 535 6.159 -4.532 -5.072 1.00 0.00 C ATOM 98 ND1 HIS A 535 5.597 -5.319 -4.082 1.00 0.00 N ATOM 99 CD2 HIS A 535 7.192 -5.252 -5.595 1.00 0.00 C ATOM 100 CE1 HIS A 535 6.270 -6.458 -4.020 1.00 0.00 C ATOM 101 NE2 HIS A 535 7.259 -6.415 -4.959 1.00 0.00 N ATOM 0 H HIS A 535 4.221 -4.302 -7.111 1.00 0.00 H new ATOM 0 HA HIS A 535 3.776 -3.368 -4.443 1.00 0.00 H new ATOM 0 HB2 HIS A 535 6.022 -2.871 -6.397 1.00 0.00 H new ATOM 0 HB3 HIS A 535 6.036 -2.439 -4.698 1.00 0.00 H new ATOM 0 HD2 HIS A 535 7.846 -4.930 -6.392 1.00 0.00 H new ATOM 0 HE1 HIS A 535 6.071 -7.277 -3.345 1.00 0.00 H new ATOM 0 HE2 HIS A 535 7.938 -7.154 -5.142 1.00 0.00 H new ATOM 109 N GLU A 536 3.285 -1.335 -6.905 1.00 0.00 N ATOM 110 CA GLU A 536 2.798 -0.014 -7.264 1.00 0.00 C ATOM 111 C GLU A 536 1.286 0.071 -7.048 1.00 0.00 C ATOM 112 O GLU A 536 0.652 1.044 -7.452 1.00 0.00 O ATOM 113 CB GLU A 536 3.166 0.332 -8.708 1.00 0.00 C ATOM 114 CG GLU A 536 4.269 1.392 -8.754 1.00 0.00 C ATOM 115 CD GLU A 536 4.389 1.997 -10.154 1.00 0.00 C ATOM 116 OE1 GLU A 536 5.108 1.389 -10.976 1.00 0.00 O ATOM 117 OE2 GLU A 536 3.760 3.055 -10.371 1.00 0.00 O ATOM 0 H GLU A 536 3.343 -1.994 -7.681 1.00 0.00 H new ATOM 0 HA GLU A 536 3.280 0.718 -6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 536 3.498 -0.567 -9.228 1.00 0.00 H new ATOM 0 HB3 GLU A 536 2.284 0.697 -9.234 1.00 0.00 H new ATOM 0 HG2 GLU A 536 4.053 2.179 -8.031 1.00 0.00 H new ATOM 0 HG3 GLU A 536 5.220 0.945 -8.464 1.00 0.00 H new ATOM 124 N LYS A 537 0.752 -0.961 -6.412 1.00 0.00 N ATOM 125 CA LYS A 537 -0.673 -1.016 -6.137 1.00 0.00 C ATOM 126 C LYS A 537 -1.029 0.048 -5.096 1.00 0.00 C ATOM 127 O LYS A 537 -2.177 0.480 -5.012 1.00 0.00 O ATOM 128 CB LYS A 537 -1.088 -2.432 -5.736 1.00 0.00 C ATOM 129 CG LYS A 537 -0.842 -3.420 -6.878 1.00 0.00 C ATOM 130 CD LYS A 537 -2.026 -3.444 -7.847 1.00 0.00 C ATOM 131 CE LYS A 537 -2.885 -4.691 -7.632 1.00 0.00 C ATOM 132 NZ LYS A 537 -2.618 -5.693 -8.688 1.00 0.00 N ATOM 0 H LYS A 537 1.282 -1.767 -6.079 1.00 0.00 H new ATOM 0 HA LYS A 537 -1.243 -0.785 -7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 537 -0.528 -2.743 -4.854 1.00 0.00 H new ATOM 0 HB3 LYS A 537 -2.143 -2.442 -5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 537 0.066 -3.143 -7.414 1.00 0.00 H new ATOM 0 HG3 LYS A 537 -0.680 -4.418 -6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 537 -2.634 -2.550 -7.706 1.00 0.00 H new ATOM 0 HD3 LYS A 537 -1.661 -3.422 -8.874 1.00 0.00 H new ATOM 0 HE2 LYS A 537 -2.674 -5.121 -6.653 1.00 0.00 H new ATOM 0 HE3 LYS A 537 -3.940 -4.419 -7.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 537 -2.500 -6.631 -8.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 537 -3.417 -5.717 -9.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 537 -1.749 -5.436 -9.199 1.00 0.00 H new ATOM 146 N ALA A 538 -0.022 0.439 -4.329 1.00 0.00 N ATOM 147 CA ALA A 538 -0.213 1.443 -3.296 1.00 0.00 C ATOM 148 C ALA A 538 -0.606 2.770 -3.949 1.00 0.00 C ATOM 149 O ALA A 538 -1.335 3.565 -3.357 1.00 0.00 O ATOM 150 CB ALA A 538 1.060 1.560 -2.456 1.00 0.00 C ATOM 0 H ALA A 538 0.929 0.078 -4.402 1.00 0.00 H new ATOM 0 HA ALA A 538 -1.021 1.154 -2.624 1.00 0.00 H new ATOM 0 HB1 ALA A 538 0.917 2.313 -1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 538 1.279 0.599 -1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 538 1.893 1.852 -3.096 1.00 0.00 H new ATOM 156 N ALA A 539 -0.105 2.969 -5.159 1.00 0.00 N ATOM 157 CA ALA A 539 -0.394 4.186 -5.898 1.00 0.00 C ATOM 158 C ALA A 539 -1.910 4.369 -5.998 1.00 0.00 C ATOM 159 O ALA A 539 -2.405 5.495 -5.987 1.00 0.00 O ATOM 160 CB ALA A 539 0.277 4.121 -7.272 1.00 0.00 C ATOM 0 H ALA A 539 0.500 2.308 -5.646 1.00 0.00 H new ATOM 0 HA ALA A 539 0.010 5.055 -5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 539 0.060 5.034 -7.826 1.00 0.00 H new ATOM 0 HB2 ALA A 539 1.355 4.020 -7.146 1.00 0.00 H new ATOM 0 HB3 ALA A 539 -0.106 3.262 -7.823 1.00 0.00 H new ATOM 166 N LEU A 540 -2.605 3.245 -6.092 1.00 0.00 N ATOM 167 CA LEU A 540 -4.054 3.267 -6.193 1.00 0.00 C ATOM 168 C LEU A 540 -4.643 3.818 -4.893 1.00 0.00 C ATOM 169 O LEU A 540 -5.725 4.404 -4.897 1.00 0.00 O ATOM 170 CB LEU A 540 -4.586 1.884 -6.572 1.00 0.00 C ATOM 171 CG LEU A 540 -5.944 1.501 -5.979 1.00 0.00 C ATOM 172 CD1 LEU A 540 -6.988 2.583 -6.259 1.00 0.00 C ATOM 173 CD2 LEU A 540 -6.393 0.127 -6.479 1.00 0.00 C ATOM 0 H LEU A 540 -2.191 2.313 -6.100 1.00 0.00 H new ATOM 0 HA LEU A 540 -4.370 3.935 -6.995 1.00 0.00 H new ATOM 0 HB2 LEU A 540 -4.658 1.830 -7.658 1.00 0.00 H new ATOM 0 HB3 LEU A 540 -3.854 1.138 -6.263 1.00 0.00 H new ATOM 0 HG LEU A 540 -5.837 1.429 -4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 540 -7.944 2.287 -5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 540 -6.665 3.524 -5.814 1.00 0.00 H new ATOM 0 HD13 LEU A 540 -7.100 2.710 -7.336 1.00 0.00 H new ATOM 0 HD21 LEU A 540 -7.361 -0.121 -6.042 1.00 0.00 H new ATOM 0 HD22 LEU A 540 -6.479 0.145 -7.565 1.00 0.00 H new ATOM 0 HD23 LEU A 540 -5.660 -0.624 -6.186 1.00 0.00 H new ATOM 185 N ILE A 541 -3.907 3.609 -3.812 1.00 0.00 N ATOM 186 CA ILE A 541 -4.343 4.077 -2.507 1.00 0.00 C ATOM 187 C ILE A 541 -3.418 5.202 -2.038 1.00 0.00 C ATOM 188 O ILE A 541 -3.507 5.648 -0.895 1.00 0.00 O ATOM 189 CB ILE A 541 -4.439 2.909 -1.524 1.00 0.00 C ATOM 190 CG1 ILE A 541 -5.758 2.154 -1.698 1.00 0.00 C ATOM 191 CG2 ILE A 541 -4.238 3.387 -0.084 1.00 0.00 C ATOM 192 CD1 ILE A 541 -5.610 0.689 -1.280 1.00 0.00 C ATOM 0 H ILE A 541 -3.011 3.122 -3.813 1.00 0.00 H new ATOM 0 HA ILE A 541 -5.348 4.495 -2.568 1.00 0.00 H new ATOM 0 HB ILE A 541 -3.635 2.208 -1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 541 -6.535 2.630 -1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 541 -6.078 2.209 -2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 541 -4.311 2.537 0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 541 -3.254 3.846 0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 541 -5.006 4.119 0.167 1.00 0.00 H new ATOM 0 HD11 ILE A 541 -6.562 0.175 -1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 541 -4.849 0.210 -1.896 1.00 0.00 H new ATOM 0 HD13 ILE A 541 -5.314 0.638 -0.232 1.00 0.00 H new ATOM 204 N MET A 542 -2.550 5.627 -2.944 1.00 0.00 N ATOM 205 CA MET A 542 -1.609 6.691 -2.637 1.00 0.00 C ATOM 206 C MET A 542 -2.335 8.020 -2.421 1.00 0.00 C ATOM 207 O MET A 542 -1.900 8.846 -1.620 1.00 0.00 O ATOM 208 CB MET A 542 -0.610 6.837 -3.787 1.00 0.00 C ATOM 209 CG MET A 542 0.721 6.162 -3.446 1.00 0.00 C ATOM 210 SD MET A 542 1.963 6.622 -4.643 1.00 0.00 S ATOM 211 CE MET A 542 3.262 5.483 -4.194 1.00 0.00 C ATOM 0 H MET A 542 -2.478 5.254 -3.891 1.00 0.00 H new ATOM 0 HA MET A 542 -1.084 6.431 -1.718 1.00 0.00 H new ATOM 0 HB2 MET A 542 -1.025 6.394 -4.692 1.00 0.00 H new ATOM 0 HB3 MET A 542 -0.443 7.894 -3.997 1.00 0.00 H new ATOM 0 HG2 MET A 542 1.041 6.455 -2.446 1.00 0.00 H new ATOM 0 HG3 MET A 542 0.597 5.079 -3.436 1.00 0.00 H new ATOM 0 HE1 MET A 542 4.134 6.041 -3.854 1.00 0.00 H new ATOM 0 HE2 MET A 542 2.913 4.831 -3.393 1.00 0.00 H new ATOM 0 HE3 MET A 542 3.533 4.880 -5.061 1.00 0.00 H new ATOM 221 N GLN A 543 -3.430 8.185 -3.148 1.00 0.00 N ATOM 222 CA GLN A 543 -4.221 9.399 -3.046 1.00 0.00 C ATOM 223 C GLN A 543 -4.745 9.573 -1.619 1.00 0.00 C ATOM 224 O GLN A 543 -4.748 10.681 -1.085 1.00 0.00 O ATOM 225 CB GLN A 543 -5.371 9.392 -4.055 1.00 0.00 C ATOM 226 CG GLN A 543 -4.965 8.674 -5.343 1.00 0.00 C ATOM 227 CD GLN A 543 -5.646 7.308 -5.448 1.00 0.00 C ATOM 228 OE1 GLN A 543 -5.985 6.835 -6.521 1.00 0.00 O ATOM 229 NE2 GLN A 543 -5.827 6.702 -4.278 1.00 0.00 N ATOM 0 H GLN A 543 -3.788 7.497 -3.811 1.00 0.00 H new ATOM 0 HA GLN A 543 -3.579 10.248 -3.283 1.00 0.00 H new ATOM 0 HB2 GLN A 543 -6.240 8.900 -3.618 1.00 0.00 H new ATOM 0 HB3 GLN A 543 -5.666 10.416 -4.283 1.00 0.00 H new ATOM 0 HG2 GLN A 543 -5.234 9.285 -6.204 1.00 0.00 H new ATOM 0 HG3 GLN A 543 -3.883 8.547 -5.367 1.00 0.00 H new ATOM 0 HE21 GLN A 543 -5.519 7.154 -3.417 1.00 0.00 H new ATOM 0 HE22 GLN A 543 -6.273 5.786 -4.242 1.00 0.00 H new ATOM 238 N VAL A 544 -5.175 8.461 -1.041 1.00 0.00 N ATOM 239 CA VAL A 544 -5.700 8.476 0.314 1.00 0.00 C ATOM 240 C VAL A 544 -4.554 8.721 1.297 1.00 0.00 C ATOM 241 O VAL A 544 -4.694 9.501 2.238 1.00 0.00 O ATOM 242 CB VAL A 544 -6.462 7.179 0.594 1.00 0.00 C ATOM 243 CG1 VAL A 544 -7.035 7.176 2.013 1.00 0.00 C ATOM 244 CG2 VAL A 544 -7.563 6.955 -0.443 1.00 0.00 C ATOM 0 H VAL A 544 -5.171 7.543 -1.486 1.00 0.00 H new ATOM 0 HA VAL A 544 -6.414 9.290 0.439 1.00 0.00 H new ATOM 0 HB VAL A 544 -5.756 6.352 0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 544 -7.572 6.243 2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 544 -6.222 7.267 2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 544 -7.720 8.016 2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 544 -8.089 6.026 -0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 544 -8.267 7.787 -0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 544 -7.119 6.892 -1.437 1.00 0.00 H new ATOM 254 N LEU A 545 -3.445 8.039 1.047 1.00 0.00 N ATOM 255 CA LEU A 545 -2.276 8.173 1.898 1.00 0.00 C ATOM 256 C LEU A 545 -1.321 9.201 1.289 1.00 0.00 C ATOM 257 O LEU A 545 -0.120 9.173 1.554 1.00 0.00 O ATOM 258 CB LEU A 545 -1.633 6.807 2.144 1.00 0.00 C ATOM 259 CG LEU A 545 -1.859 6.198 3.529 1.00 0.00 C ATOM 260 CD1 LEU A 545 -2.745 4.953 3.443 1.00 0.00 C ATOM 261 CD2 LEU A 545 -0.527 5.907 4.224 1.00 0.00 C ATOM 0 H LEU A 545 -3.332 7.392 0.267 1.00 0.00 H new ATOM 0 HA LEU A 545 -2.562 8.547 2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -2.011 6.110 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 545 -0.559 6.898 1.980 1.00 0.00 H new ATOM 0 HG LEU A 545 -2.389 6.928 4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -2.890 4.540 4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -3.712 5.223 3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 545 -2.265 4.208 2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -0.716 5.475 5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 545 0.051 5.204 3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 545 0.034 6.834 4.338 1.00 0.00 H new ATOM 273 N GLN A 546 -1.891 10.085 0.482 1.00 0.00 N ATOM 274 CA GLN A 546 -1.105 11.121 -0.167 1.00 0.00 C ATOM 275 C GLN A 546 -1.096 12.392 0.684 1.00 0.00 C ATOM 276 O GLN A 546 -0.393 13.350 0.367 1.00 0.00 O ATOM 277 CB GLN A 546 -1.632 11.406 -1.575 1.00 0.00 C ATOM 278 CG GLN A 546 -0.656 10.900 -2.639 1.00 0.00 C ATOM 279 CD GLN A 546 -0.082 12.061 -3.453 1.00 0.00 C ATOM 280 OE1 GLN A 546 -0.156 13.218 -3.071 1.00 0.00 O ATOM 281 NE2 GLN A 546 0.492 11.690 -4.594 1.00 0.00 N ATOM 0 H GLN A 546 -2.887 10.105 0.263 1.00 0.00 H new ATOM 0 HA GLN A 546 -0.079 10.766 -0.264 1.00 0.00 H new ATOM 0 HB2 GLN A 546 -2.602 10.926 -1.708 1.00 0.00 H new ATOM 0 HB3 GLN A 546 -1.787 12.478 -1.699 1.00 0.00 H new ATOM 0 HG2 GLN A 546 0.155 10.350 -2.162 1.00 0.00 H new ATOM 0 HG3 GLN A 546 -1.166 10.203 -3.303 1.00 0.00 H new ATOM 0 HE21 GLN A 546 0.520 10.704 -4.854 1.00 0.00 H new ATOM 0 HE22 GLN A 546 0.905 12.391 -5.209 1.00 0.00 H new ATOM 290 N LEU A 547 -1.886 12.360 1.747 1.00 0.00 N ATOM 291 CA LEU A 547 -1.978 13.498 2.645 1.00 0.00 C ATOM 292 C LEU A 547 -0.594 14.133 2.801 1.00 0.00 C ATOM 293 O LEU A 547 -0.480 15.341 3.000 1.00 0.00 O ATOM 294 CB LEU A 547 -2.617 13.084 3.972 1.00 0.00 C ATOM 295 CG LEU A 547 -1.670 12.490 5.017 1.00 0.00 C ATOM 296 CD1 LEU A 547 -2.096 12.886 6.432 1.00 0.00 C ATOM 297 CD2 LEU A 547 -1.557 10.973 4.855 1.00 0.00 C ATOM 0 H LEU A 547 -2.468 11.564 2.006 1.00 0.00 H new ATOM 0 HA LEU A 547 -2.634 14.261 2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 547 -3.103 13.958 4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 547 -3.399 12.354 3.764 1.00 0.00 H new ATOM 0 HG LEU A 547 -0.676 12.906 4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 547 -1.406 12.451 7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 547 -2.082 13.972 6.526 1.00 0.00 H new ATOM 0 HD13 LEU A 547 -3.104 12.518 6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 547 -0.878 10.576 5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 547 -2.541 10.520 4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 547 -1.171 10.741 3.862 1.00 0.00 H new ATOM 309 N THR A 548 0.422 13.289 2.705 1.00 0.00 N ATOM 310 CA THR A 548 1.794 13.751 2.833 1.00 0.00 C ATOM 311 C THR A 548 2.660 13.166 1.716 1.00 0.00 C ATOM 312 O THR A 548 3.359 13.900 1.019 1.00 0.00 O ATOM 313 CB THR A 548 2.286 13.391 4.236 1.00 0.00 C ATOM 314 OG1 THR A 548 1.268 13.890 5.100 1.00 0.00 O ATOM 315 CG2 THR A 548 3.535 14.177 4.639 1.00 0.00 C ATOM 0 H THR A 548 0.323 12.287 2.540 1.00 0.00 H new ATOM 0 HA THR A 548 1.859 14.833 2.719 1.00 0.00 H new ATOM 0 HB THR A 548 2.499 12.323 4.282 1.00 0.00 H new ATOM 0 HG1 THR A 548 1.506 13.698 6.031 1.00 0.00 H new ATOM 0 HG21 THR A 548 3.842 13.883 5.643 1.00 0.00 H new ATOM 0 HG22 THR A 548 4.341 13.965 3.937 1.00 0.00 H new ATOM 0 HG23 THR A 548 3.314 15.244 4.625 1.00 0.00 H new ATOM 323 N ALA A 549 2.587 11.850 1.582 1.00 0.00 N ATOM 324 CA ALA A 549 3.356 11.158 0.562 1.00 0.00 C ATOM 325 C ALA A 549 4.755 10.855 1.102 1.00 0.00 C ATOM 326 O ALA A 549 5.434 9.956 0.607 1.00 0.00 O ATOM 327 CB ALA A 549 3.394 12.006 -0.712 1.00 0.00 C ATOM 0 H ALA A 549 2.007 11.245 2.163 1.00 0.00 H new ATOM 0 HA ALA A 549 2.888 10.207 0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 549 3.971 11.487 -1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 549 2.378 12.169 -1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 549 3.860 12.967 -0.496 1.00 0.00 H new ATOM 333 N ASP A 550 5.145 11.621 2.110 1.00 0.00 N ATOM 334 CA ASP A 550 6.450 11.445 2.723 1.00 0.00 C ATOM 335 C ASP A 550 6.499 10.089 3.429 1.00 0.00 C ATOM 336 O ASP A 550 7.524 9.410 3.408 1.00 0.00 O ATOM 337 CB ASP A 550 6.720 12.531 3.766 1.00 0.00 C ATOM 338 CG ASP A 550 8.195 12.889 3.961 1.00 0.00 C ATOM 339 OD1 ASP A 550 8.914 12.905 2.939 1.00 0.00 O ATOM 340 OD2 ASP A 550 8.569 13.139 5.127 1.00 0.00 O ATOM 0 H ASP A 550 4.579 12.366 2.518 1.00 0.00 H new ATOM 0 HA ASP A 550 7.202 11.505 1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 550 6.178 13.432 3.479 1.00 0.00 H new ATOM 0 HB3 ASP A 550 6.312 12.205 4.722 1.00 0.00 H new ATOM 345 N GLN A 551 5.377 9.734 4.038 1.00 0.00 N ATOM 346 CA GLN A 551 5.278 8.471 4.749 1.00 0.00 C ATOM 347 C GLN A 551 5.331 7.302 3.764 1.00 0.00 C ATOM 348 O GLN A 551 6.043 6.325 3.992 1.00 0.00 O ATOM 349 CB GLN A 551 4.006 8.417 5.597 1.00 0.00 C ATOM 350 CG GLN A 551 3.677 9.793 6.180 1.00 0.00 C ATOM 351 CD GLN A 551 2.345 10.314 5.635 1.00 0.00 C ATOM 352 OE1 GLN A 551 1.550 10.915 6.339 1.00 0.00 O ATOM 353 NE2 GLN A 551 2.147 10.051 4.347 1.00 0.00 N ATOM 0 H GLN A 551 4.528 10.300 4.054 1.00 0.00 H new ATOM 0 HA GLN A 551 6.129 8.389 5.425 1.00 0.00 H new ATOM 0 HB2 GLN A 551 3.173 8.068 4.987 1.00 0.00 H new ATOM 0 HB3 GLN A 551 4.134 7.697 6.405 1.00 0.00 H new ATOM 0 HG2 GLN A 551 3.630 9.730 7.267 1.00 0.00 H new ATOM 0 HG3 GLN A 551 4.474 10.496 5.936 1.00 0.00 H new ATOM 0 HE21 GLN A 551 2.854 9.543 3.816 1.00 0.00 H new ATOM 0 HE22 GLN A 551 1.288 10.357 3.890 1.00 0.00 H new ATOM 362 N ILE A 552 4.567 7.439 2.690 1.00 0.00 N ATOM 363 CA ILE A 552 4.517 6.406 1.670 1.00 0.00 C ATOM 364 C ILE A 552 5.824 6.419 0.874 1.00 0.00 C ATOM 365 O ILE A 552 6.374 5.364 0.561 1.00 0.00 O ATOM 366 CB ILE A 552 3.267 6.570 0.803 1.00 0.00 C ATOM 367 CG1 ILE A 552 2.020 6.758 1.668 1.00 0.00 C ATOM 368 CG2 ILE A 552 3.118 5.398 -0.170 1.00 0.00 C ATOM 369 CD1 ILE A 552 1.595 5.437 2.312 1.00 0.00 C ATOM 0 H ILE A 552 3.977 8.250 2.504 1.00 0.00 H new ATOM 0 HA ILE A 552 4.432 5.421 2.128 1.00 0.00 H new ATOM 0 HB ILE A 552 3.382 7.474 0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 552 2.219 7.497 2.444 1.00 0.00 H new ATOM 0 HG13 ILE A 552 1.205 7.148 1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 552 2.222 5.539 -0.775 1.00 0.00 H new ATOM 0 HG22 ILE A 552 3.991 5.352 -0.821 1.00 0.00 H new ATOM 0 HG23 ILE A 552 3.034 4.467 0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 552 0.706 5.599 2.922 1.00 0.00 H new ATOM 0 HD12 ILE A 552 1.373 4.707 1.533 1.00 0.00 H new ATOM 0 HD13 ILE A 552 2.403 5.062 2.941 1.00 0.00 H new ATOM 381 N ALA A 553 6.282 7.624 0.569 1.00 0.00 N ATOM 382 CA ALA A 553 7.514 7.788 -0.184 1.00 0.00 C ATOM 383 C ALA A 553 8.683 7.229 0.629 1.00 0.00 C ATOM 384 O ALA A 553 9.587 6.606 0.076 1.00 0.00 O ATOM 385 CB ALA A 553 7.703 9.264 -0.539 1.00 0.00 C ATOM 0 H ALA A 553 5.822 8.496 0.830 1.00 0.00 H new ATOM 0 HA ALA A 553 7.468 7.231 -1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 553 8.627 9.387 -1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 553 6.861 9.604 -1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 553 7.756 9.854 0.376 1.00 0.00 H new ATOM 391 N MET A 554 8.626 7.472 1.931 1.00 0.00 N ATOM 392 CA MET A 554 9.669 7.001 2.826 1.00 0.00 C ATOM 393 C MET A 554 9.484 5.517 3.150 1.00 0.00 C ATOM 394 O MET A 554 10.352 4.900 3.766 1.00 0.00 O ATOM 395 CB MET A 554 9.636 7.815 4.121 1.00 0.00 C ATOM 396 CG MET A 554 10.116 9.247 3.881 1.00 0.00 C ATOM 397 SD MET A 554 11.783 9.442 4.489 1.00 0.00 S ATOM 398 CE MET A 554 12.200 11.014 3.752 1.00 0.00 C ATOM 0 H MET A 554 7.874 7.989 2.387 1.00 0.00 H new ATOM 0 HA MET A 554 10.632 7.128 2.331 1.00 0.00 H new ATOM 0 HB2 MET A 554 8.622 7.830 4.520 1.00 0.00 H new ATOM 0 HB3 MET A 554 10.266 7.337 4.871 1.00 0.00 H new ATOM 0 HG2 MET A 554 10.079 9.478 2.816 1.00 0.00 H new ATOM 0 HG3 MET A 554 9.452 9.951 4.383 1.00 0.00 H new ATOM 0 HE1 MET A 554 13.217 11.289 4.032 1.00 0.00 H new ATOM 0 HE2 MET A 554 12.131 10.937 2.667 1.00 0.00 H new ATOM 0 HE3 MET A 554 11.507 11.777 4.107 1.00 0.00 H new ATOM 408 N LEU A 555 8.347 4.988 2.722 1.00 0.00 N ATOM 409 CA LEU A 555 8.037 3.588 2.959 1.00 0.00 C ATOM 410 C LEU A 555 8.747 2.729 1.911 1.00 0.00 C ATOM 411 O LEU A 555 8.952 3.166 0.780 1.00 0.00 O ATOM 412 CB LEU A 555 6.523 3.375 3.007 1.00 0.00 C ATOM 413 CG LEU A 555 5.861 3.565 4.373 1.00 0.00 C ATOM 414 CD1 LEU A 555 4.397 3.981 4.220 1.00 0.00 C ATOM 415 CD2 LEU A 555 6.013 2.309 5.234 1.00 0.00 C ATOM 0 H LEU A 555 7.629 5.504 2.213 1.00 0.00 H new ATOM 0 HA LEU A 555 8.410 3.275 3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 555 6.057 4.062 2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 555 6.307 2.365 2.658 1.00 0.00 H new ATOM 0 HG LEU A 555 6.373 4.376 4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 555 3.950 4.109 5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 555 4.341 4.921 3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 555 3.855 3.209 3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 555 5.534 2.470 6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 555 5.542 1.464 4.731 1.00 0.00 H new ATOM 0 HD23 LEU A 555 7.072 2.097 5.385 1.00 0.00 H new ATOM 427 N PRO A 556 9.111 1.489 2.336 1.00 0.00 N ATOM 428 CA PRO A 556 9.793 0.564 1.446 1.00 0.00 C ATOM 429 C PRO A 556 8.822 -0.033 0.426 1.00 0.00 C ATOM 430 O PRO A 556 7.616 0.194 0.506 1.00 0.00 O ATOM 431 CB PRO A 556 10.409 -0.481 2.363 1.00 0.00 C ATOM 432 CG PRO A 556 9.665 -0.367 3.683 1.00 0.00 C ATOM 433 CD PRO A 556 8.885 0.937 3.668 1.00 0.00 C ATOM 0 HA PRO A 556 10.561 1.049 0.843 1.00 0.00 H new ATOM 0 HB2 PRO A 556 10.305 -1.481 1.941 1.00 0.00 H new ATOM 0 HB3 PRO A 556 11.475 -0.301 2.499 1.00 0.00 H new ATOM 0 HG2 PRO A 556 8.991 -1.213 3.815 1.00 0.00 H new ATOM 0 HG3 PRO A 556 10.365 -0.383 4.518 1.00 0.00 H new ATOM 0 HD2 PRO A 556 7.824 0.766 3.851 1.00 0.00 H new ATOM 0 HD3 PRO A 556 9.236 1.618 4.444 1.00 0.00 H new ATOM 441 N PRO A 557 9.399 -0.804 -0.534 1.00 0.00 N ATOM 442 CA PRO A 557 8.598 -1.436 -1.568 1.00 0.00 C ATOM 443 C PRO A 557 7.834 -2.639 -1.012 1.00 0.00 C ATOM 444 O PRO A 557 6.713 -2.918 -1.437 1.00 0.00 O ATOM 445 CB PRO A 557 9.588 -1.813 -2.658 1.00 0.00 C ATOM 446 CG PRO A 557 10.958 -1.802 -1.998 1.00 0.00 C ATOM 447 CD PRO A 557 10.824 -1.094 -0.659 1.00 0.00 C ATOM 0 HA PRO A 557 7.824 -0.777 -1.962 1.00 0.00 H new ATOM 0 HB2 PRO A 557 9.360 -2.796 -3.069 1.00 0.00 H new ATOM 0 HB3 PRO A 557 9.547 -1.104 -3.485 1.00 0.00 H new ATOM 0 HG2 PRO A 557 11.322 -2.820 -1.857 1.00 0.00 H new ATOM 0 HG3 PRO A 557 11.682 -1.289 -2.630 1.00 0.00 H new ATOM 0 HD2 PRO A 557 11.173 -1.724 0.159 1.00 0.00 H new ATOM 0 HD3 PRO A 557 11.418 -0.180 -0.633 1.00 0.00 H new ATOM 455 N GLU A 558 8.470 -3.319 -0.070 1.00 0.00 N ATOM 456 CA GLU A 558 7.864 -4.486 0.548 1.00 0.00 C ATOM 457 C GLU A 558 6.784 -4.059 1.544 1.00 0.00 C ATOM 458 O GLU A 558 6.158 -4.901 2.187 1.00 0.00 O ATOM 459 CB GLU A 558 8.922 -5.358 1.228 1.00 0.00 C ATOM 460 CG GLU A 558 8.372 -6.754 1.527 1.00 0.00 C ATOM 461 CD GLU A 558 8.879 -7.265 2.877 1.00 0.00 C ATOM 462 OE1 GLU A 558 10.113 -7.228 3.071 1.00 0.00 O ATOM 463 OE2 GLU A 558 8.020 -7.681 3.685 1.00 0.00 O ATOM 0 H GLU A 558 9.399 -3.084 0.280 1.00 0.00 H new ATOM 0 HA GLU A 558 7.395 -5.084 -0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 558 9.799 -5.439 0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 558 9.247 -4.885 2.155 1.00 0.00 H new ATOM 0 HG2 GLU A 558 7.282 -6.726 1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 558 8.671 -7.443 0.737 1.00 0.00 H new ATOM 470 N GLN A 559 6.598 -2.750 1.641 1.00 0.00 N ATOM 471 CA GLN A 559 5.605 -2.201 2.548 1.00 0.00 C ATOM 472 C GLN A 559 4.582 -1.367 1.772 1.00 0.00 C ATOM 473 O GLN A 559 3.394 -1.383 2.090 1.00 0.00 O ATOM 474 CB GLN A 559 6.267 -1.371 3.649 1.00 0.00 C ATOM 475 CG GLN A 559 6.669 -2.252 4.833 1.00 0.00 C ATOM 476 CD GLN A 559 6.125 -1.687 6.147 1.00 0.00 C ATOM 477 OE1 GLN A 559 6.840 -1.104 6.945 1.00 0.00 O ATOM 478 NE2 GLN A 559 4.822 -1.891 6.325 1.00 0.00 N ATOM 0 H GLN A 559 7.118 -2.054 1.106 1.00 0.00 H new ATOM 0 HA GLN A 559 5.082 -3.028 3.028 1.00 0.00 H new ATOM 0 HB2 GLN A 559 7.148 -0.868 3.250 1.00 0.00 H new ATOM 0 HB3 GLN A 559 5.581 -0.594 3.986 1.00 0.00 H new ATOM 0 HG2 GLN A 559 6.290 -3.263 4.683 1.00 0.00 H new ATOM 0 HG3 GLN A 559 7.755 -2.323 4.886 1.00 0.00 H new ATOM 0 HE21 GLN A 559 4.282 -2.387 5.616 1.00 0.00 H new ATOM 0 HE22 GLN A 559 4.363 -1.551 7.170 1.00 0.00 H new ATOM 487 N ARG A 560 5.082 -0.658 0.771 1.00 0.00 N ATOM 488 CA ARG A 560 4.227 0.180 -0.052 1.00 0.00 C ATOM 489 C ARG A 560 2.887 -0.514 -0.305 1.00 0.00 C ATOM 490 O ARG A 560 1.830 0.040 -0.006 1.00 0.00 O ATOM 491 CB ARG A 560 4.891 0.495 -1.394 1.00 0.00 C ATOM 492 CG ARG A 560 6.094 1.421 -1.207 1.00 0.00 C ATOM 493 CD ARG A 560 5.963 2.673 -2.077 1.00 0.00 C ATOM 494 NE ARG A 560 5.505 2.300 -3.434 1.00 0.00 N ATOM 495 CZ ARG A 560 5.411 3.159 -4.458 1.00 0.00 C ATOM 496 NH1 ARG A 560 5.743 4.446 -4.285 1.00 0.00 N ATOM 497 NH2 ARG A 560 4.985 2.732 -5.654 1.00 0.00 N ATOM 0 H ARG A 560 6.068 -0.647 0.511 1.00 0.00 H new ATOM 0 HA ARG A 560 4.061 1.113 0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 560 5.211 -0.431 -1.871 1.00 0.00 H new ATOM 0 HB3 ARG A 560 4.167 0.964 -2.061 1.00 0.00 H new ATOM 0 HG2 ARG A 560 6.176 1.709 -0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 560 7.010 0.889 -1.464 1.00 0.00 H new ATOM 0 HD2 ARG A 560 5.256 3.368 -1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 560 6.922 3.187 -2.136 1.00 0.00 H new ATOM 0 HE ARG A 560 5.245 1.328 -3.600 1.00 0.00 H new ATOM 0 HH11 ARG A 560 6.067 4.771 -3.374 1.00 0.00 H new ATOM 0 HH12 ARG A 560 5.672 5.100 -5.064 1.00 0.00 H new ATOM 0 HH21 ARG A 560 4.732 1.753 -5.785 1.00 0.00 H new ATOM 0 HH22 ARG A 560 4.914 3.386 -6.433 1.00 0.00 H new ATOM 511 N GLN A 561 2.974 -1.718 -0.852 1.00 0.00 N ATOM 512 CA GLN A 561 1.782 -2.493 -1.148 1.00 0.00 C ATOM 513 C GLN A 561 1.009 -2.791 0.139 1.00 0.00 C ATOM 514 O GLN A 561 -0.219 -2.847 0.131 1.00 0.00 O ATOM 515 CB GLN A 561 2.137 -3.786 -1.886 1.00 0.00 C ATOM 516 CG GLN A 561 0.877 -4.503 -2.373 1.00 0.00 C ATOM 517 CD GLN A 561 0.482 -5.629 -1.415 1.00 0.00 C ATOM 518 OE1 GLN A 561 -0.646 -5.725 -0.960 1.00 0.00 O ATOM 519 NE2 GLN A 561 1.471 -6.473 -1.135 1.00 0.00 N ATOM 0 H GLN A 561 3.852 -2.175 -1.098 1.00 0.00 H new ATOM 0 HA GLN A 561 1.143 -1.903 -1.804 1.00 0.00 H new ATOM 0 HB2 GLN A 561 2.782 -3.559 -2.735 1.00 0.00 H new ATOM 0 HB3 GLN A 561 2.701 -4.443 -1.224 1.00 0.00 H new ATOM 0 HG2 GLN A 561 0.058 -3.789 -2.458 1.00 0.00 H new ATOM 0 HG3 GLN A 561 1.049 -4.911 -3.369 1.00 0.00 H new ATOM 0 HE21 GLN A 561 2.392 -6.335 -1.550 1.00 0.00 H new ATOM 0 HE22 GLN A 561 1.308 -7.258 -0.505 1.00 0.00 H new ATOM 528 N SER A 562 1.762 -2.975 1.214 1.00 0.00 N ATOM 529 CA SER A 562 1.164 -3.266 2.506 1.00 0.00 C ATOM 530 C SER A 562 -0.021 -2.330 2.756 1.00 0.00 C ATOM 531 O SER A 562 -0.996 -2.716 3.399 1.00 0.00 O ATOM 532 CB SER A 562 2.192 -3.134 3.631 1.00 0.00 C ATOM 533 OG SER A 562 1.877 -3.969 4.742 1.00 0.00 O ATOM 0 H SER A 562 2.781 -2.928 1.217 1.00 0.00 H new ATOM 0 HA SER A 562 0.809 -4.297 2.495 1.00 0.00 H new ATOM 0 HB2 SER A 562 3.180 -3.393 3.251 1.00 0.00 H new ATOM 0 HB3 SER A 562 2.239 -2.096 3.959 1.00 0.00 H new ATOM 0 HG SER A 562 2.558 -3.858 5.438 1.00 0.00 H new ATOM 539 N ILE A 563 0.103 -1.118 2.235 1.00 0.00 N ATOM 540 CA ILE A 563 -0.945 -0.124 2.395 1.00 0.00 C ATOM 541 C ILE A 563 -2.227 -0.631 1.731 1.00 0.00 C ATOM 542 O ILE A 563 -3.319 -0.458 2.270 1.00 0.00 O ATOM 543 CB ILE A 563 -0.478 1.235 1.872 1.00 0.00 C ATOM 544 CG1 ILE A 563 -0.878 2.358 2.832 1.00 0.00 C ATOM 545 CG2 ILE A 563 -0.993 1.484 0.453 1.00 0.00 C ATOM 546 CD1 ILE A 563 -0.340 2.094 4.240 1.00 0.00 C ATOM 0 H ILE A 563 0.913 -0.802 1.702 1.00 0.00 H new ATOM 0 HA ILE A 563 -1.170 0.027 3.451 1.00 0.00 H new ATOM 0 HB ILE A 563 0.611 1.226 1.822 1.00 0.00 H new ATOM 0 HG12 ILE A 563 -0.494 3.309 2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 563 -1.964 2.444 2.864 1.00 0.00 H new ATOM 0 HG21 ILE A 563 -0.646 2.457 0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 563 -0.617 0.706 -0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 563 -2.083 1.466 0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 563 -0.639 2.907 4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 563 -0.745 1.154 4.614 1.00 0.00 H new ATOM 0 HD13 ILE A 563 0.748 2.033 4.208 1.00 0.00 H new ATOM 558 N LEU A 564 -2.052 -1.246 0.571 1.00 0.00 N ATOM 559 CA LEU A 564 -3.181 -1.779 -0.172 1.00 0.00 C ATOM 560 C LEU A 564 -3.924 -2.795 0.697 1.00 0.00 C ATOM 561 O LEU A 564 -5.150 -2.882 0.647 1.00 0.00 O ATOM 562 CB LEU A 564 -2.719 -2.342 -1.518 1.00 0.00 C ATOM 563 CG LEU A 564 -3.672 -3.329 -2.195 1.00 0.00 C ATOM 564 CD1 LEU A 564 -3.404 -3.407 -3.699 1.00 0.00 C ATOM 565 CD2 LEU A 564 -3.601 -4.704 -1.528 1.00 0.00 C ATOM 0 H LEU A 564 -1.145 -1.387 0.127 1.00 0.00 H new ATOM 0 HA LEU A 564 -3.889 -0.985 -0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 564 -2.548 -1.508 -2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 564 -1.759 -2.837 -1.372 1.00 0.00 H new ATOM 0 HG LEU A 564 -4.690 -2.962 -2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 564 -4.095 -4.116 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 564 -3.546 -2.423 -4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 564 -2.380 -3.738 -3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 564 -4.288 -5.387 -2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 564 -2.585 -5.092 -1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 564 -3.879 -4.614 -0.478 1.00 0.00 H new ATOM 577 N ILE A 565 -3.150 -3.540 1.473 1.00 0.00 N ATOM 578 CA ILE A 565 -3.720 -4.547 2.352 1.00 0.00 C ATOM 579 C ILE A 565 -4.428 -3.857 3.520 1.00 0.00 C ATOM 580 O ILE A 565 -5.546 -4.225 3.877 1.00 0.00 O ATOM 581 CB ILE A 565 -2.647 -5.547 2.788 1.00 0.00 C ATOM 582 CG1 ILE A 565 -2.188 -6.407 1.609 1.00 0.00 C ATOM 583 CG2 ILE A 565 -3.134 -6.397 3.963 1.00 0.00 C ATOM 584 CD1 ILE A 565 -0.859 -7.100 1.920 1.00 0.00 C ATOM 0 H ILE A 565 -2.133 -3.466 1.511 1.00 0.00 H new ATOM 0 HA ILE A 565 -4.472 -5.132 1.823 1.00 0.00 H new ATOM 0 HB ILE A 565 -1.779 -4.987 3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 565 -2.948 -7.155 1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 565 -2.079 -5.784 0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 565 -2.352 -7.099 4.253 1.00 0.00 H new ATOM 0 HG22 ILE A 565 -3.371 -5.749 4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 565 -4.026 -6.949 3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 565 -0.555 -7.705 1.066 1.00 0.00 H new ATOM 0 HD12 ILE A 565 -0.096 -6.349 2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 565 -0.978 -7.741 2.794 1.00 0.00 H new ATOM 596 N LEU A 566 -3.748 -2.869 4.082 1.00 0.00 N ATOM 597 CA LEU A 566 -4.298 -2.124 5.202 1.00 0.00 C ATOM 598 C LEU A 566 -5.533 -1.349 4.736 1.00 0.00 C ATOM 599 O LEU A 566 -6.559 -1.346 5.413 1.00 0.00 O ATOM 600 CB LEU A 566 -3.222 -1.242 5.839 1.00 0.00 C ATOM 601 CG LEU A 566 -2.550 -1.804 7.093 1.00 0.00 C ATOM 602 CD1 LEU A 566 -3.549 -1.916 8.247 1.00 0.00 C ATOM 603 CD2 LEU A 566 -1.865 -3.139 6.797 1.00 0.00 C ATOM 0 H LEU A 566 -2.821 -2.567 3.783 1.00 0.00 H new ATOM 0 HA LEU A 566 -4.626 -2.804 5.988 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -2.451 -1.048 5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -3.670 -0.281 6.091 1.00 0.00 H new ATOM 0 HG LEU A 566 -1.773 -1.106 7.406 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -3.046 -2.318 9.126 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -3.950 -0.929 8.478 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -4.364 -2.581 7.960 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -1.395 -3.516 7.705 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -2.605 -3.858 6.446 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -1.105 -2.996 6.028 1.00 0.00 H new ATOM 615 N LYS A 567 -5.391 -0.711 3.584 1.00 0.00 N ATOM 616 CA LYS A 567 -6.482 0.065 3.020 1.00 0.00 C ATOM 617 C LYS A 567 -7.597 -0.881 2.571 1.00 0.00 C ATOM 618 O LYS A 567 -8.778 -0.566 2.712 1.00 0.00 O ATOM 619 CB LYS A 567 -5.969 0.982 1.908 1.00 0.00 C ATOM 620 CG LYS A 567 -6.278 2.448 2.219 1.00 0.00 C ATOM 621 CD LYS A 567 -5.106 3.114 2.942 1.00 0.00 C ATOM 622 CE LYS A 567 -5.274 3.021 4.460 1.00 0.00 C ATOM 623 NZ LYS A 567 -4.126 2.311 5.066 1.00 0.00 N ATOM 0 H LYS A 567 -4.537 -0.715 3.026 1.00 0.00 H new ATOM 0 HA LYS A 567 -6.909 0.726 3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 567 -4.893 0.850 1.791 1.00 0.00 H new ATOM 0 HB3 LYS A 567 -6.429 0.703 0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 567 -6.490 2.983 1.293 1.00 0.00 H new ATOM 0 HG3 LYS A 567 -7.174 2.511 2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 567 -4.172 2.636 2.646 1.00 0.00 H new ATOM 0 HD3 LYS A 567 -5.037 4.160 2.644 1.00 0.00 H new ATOM 0 HE2 LYS A 567 -5.356 4.022 4.885 1.00 0.00 H new ATOM 0 HE3 LYS A 567 -6.200 2.497 4.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 -4.019 2.607 6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 -4.292 1.285 5.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 -3.259 2.542 4.541 1.00 0.00 H new ATOM 637 N GLU A 568 -7.183 -2.021 2.038 1.00 0.00 N ATOM 638 CA GLU A 568 -8.133 -3.015 1.567 1.00 0.00 C ATOM 639 C GLU A 568 -8.990 -3.523 2.729 1.00 0.00 C ATOM 640 O GLU A 568 -10.177 -3.794 2.556 1.00 0.00 O ATOM 641 CB GLU A 568 -7.414 -4.172 0.870 1.00 0.00 C ATOM 642 CG GLU A 568 -8.321 -5.401 0.771 1.00 0.00 C ATOM 643 CD GLU A 568 -8.246 -6.027 -0.623 1.00 0.00 C ATOM 644 OE1 GLU A 568 -7.272 -6.774 -0.858 1.00 0.00 O ATOM 645 OE2 GLU A 568 -9.165 -5.744 -1.422 1.00 0.00 O ATOM 0 H GLU A 568 -6.203 -2.279 1.922 1.00 0.00 H new ATOM 0 HA GLU A 568 -8.790 -2.544 0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 568 -7.103 -3.863 -0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 568 -6.509 -4.427 1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 568 -8.026 -6.136 1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 568 -9.350 -5.117 0.991 1.00 0.00 H new ATOM 652 N GLN A 569 -8.355 -3.635 3.886 1.00 0.00 N ATOM 653 CA GLN A 569 -9.045 -4.105 5.075 1.00 0.00 C ATOM 654 C GLN A 569 -10.189 -3.155 5.436 1.00 0.00 C ATOM 655 O GLN A 569 -11.269 -3.597 5.823 1.00 0.00 O ATOM 656 CB GLN A 569 -8.073 -4.262 6.247 1.00 0.00 C ATOM 657 CG GLN A 569 -7.389 -5.630 6.213 1.00 0.00 C ATOM 658 CD GLN A 569 -6.406 -5.781 7.375 1.00 0.00 C ATOM 659 OE1 GLN A 569 -6.712 -5.499 8.522 1.00 0.00 O ATOM 660 NE2 GLN A 569 -5.210 -6.240 7.016 1.00 0.00 N ATOM 0 H GLN A 569 -7.370 -3.408 4.026 1.00 0.00 H new ATOM 0 HA GLN A 569 -9.468 -5.087 4.861 1.00 0.00 H new ATOM 0 HB2 GLN A 569 -7.321 -3.474 6.208 1.00 0.00 H new ATOM 0 HB3 GLN A 569 -8.610 -4.143 7.188 1.00 0.00 H new ATOM 0 HG2 GLN A 569 -8.141 -6.418 6.263 1.00 0.00 H new ATOM 0 HG3 GLN A 569 -6.861 -5.753 5.267 1.00 0.00 H new ATOM 0 HE21 GLN A 569 -5.020 -6.457 6.038 1.00 0.00 H new ATOM 0 HE22 GLN A 569 -4.484 -6.375 7.719 1.00 0.00 H new ATOM 669 N ILE A 570 -9.912 -1.867 5.295 1.00 0.00 N ATOM 670 CA ILE A 570 -10.905 -0.851 5.601 1.00 0.00 C ATOM 671 C ILE A 570 -12.128 -1.053 4.705 1.00 0.00 C ATOM 672 O ILE A 570 -13.264 -0.927 5.161 1.00 0.00 O ATOM 673 CB ILE A 570 -10.291 0.547 5.497 1.00 0.00 C ATOM 674 CG1 ILE A 570 -9.165 0.729 6.518 1.00 0.00 C ATOM 675 CG2 ILE A 570 -11.364 1.629 5.628 1.00 0.00 C ATOM 676 CD1 ILE A 570 -8.044 1.599 5.948 1.00 0.00 C ATOM 0 H ILE A 570 -9.015 -1.504 4.973 1.00 0.00 H new ATOM 0 HA ILE A 570 -11.245 -0.949 6.632 1.00 0.00 H new ATOM 0 HB ILE A 570 -9.848 0.652 4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 570 -9.561 1.188 7.424 1.00 0.00 H new ATOM 0 HG13 ILE A 570 -8.766 -0.245 6.802 1.00 0.00 H new ATOM 0 HG21 ILE A 570 -10.900 2.612 5.551 1.00 0.00 H new ATOM 0 HG22 ILE A 570 -12.099 1.511 4.832 1.00 0.00 H new ATOM 0 HG23 ILE A 570 -11.858 1.536 6.595 1.00 0.00 H new ATOM 0 HD11 ILE A 570 -7.257 1.713 6.693 1.00 0.00 H new ATOM 0 HD12 ILE A 570 -7.634 1.125 5.056 1.00 0.00 H new ATOM 0 HD13 ILE A 570 -8.441 2.580 5.688 1.00 0.00 H new ATOM 688 N GLN A 571 -11.855 -1.363 3.446 1.00 0.00 N ATOM 689 CA GLN A 571 -12.919 -1.584 2.482 1.00 0.00 C ATOM 690 C GLN A 571 -13.754 -2.802 2.882 1.00 0.00 C ATOM 691 O GLN A 571 -14.982 -2.769 2.812 1.00 0.00 O ATOM 692 CB GLN A 571 -12.355 -1.747 1.069 1.00 0.00 C ATOM 693 CG GLN A 571 -12.196 -0.389 0.382 1.00 0.00 C ATOM 694 CD GLN A 571 -10.719 -0.021 0.229 1.00 0.00 C ATOM 695 OE1 GLN A 571 -9.953 -0.690 -0.444 1.00 0.00 O ATOM 696 NE2 GLN A 571 -10.364 1.078 0.890 1.00 0.00 N ATOM 0 H GLN A 571 -10.912 -1.466 3.071 1.00 0.00 H new ATOM 0 HA GLN A 571 -13.567 -0.708 2.480 1.00 0.00 H new ATOM 0 HB2 GLN A 571 -11.389 -2.251 1.115 1.00 0.00 H new ATOM 0 HB3 GLN A 571 -13.018 -2.381 0.480 1.00 0.00 H new ATOM 0 HG2 GLN A 571 -12.671 -0.416 -0.599 1.00 0.00 H new ATOM 0 HG3 GLN A 571 -12.707 0.378 0.963 1.00 0.00 H new ATOM 0 HE21 GLN A 571 -11.057 1.591 1.435 1.00 0.00 H new ATOM 0 HE22 GLN A 571 -9.399 1.407 0.851 1.00 0.00 H new ATOM 705 N LYS A 572 -13.054 -3.850 3.294 1.00 0.00 N ATOM 706 CA LYS A 572 -13.715 -5.076 3.705 1.00 0.00 C ATOM 707 C LYS A 572 -14.805 -5.429 2.690 1.00 0.00 C ATOM 708 O LYS A 572 -14.813 -4.907 1.577 1.00 0.00 O ATOM 709 CB LYS A 572 -14.229 -4.952 5.141 1.00 0.00 C ATOM 710 CG LYS A 572 -15.283 -3.848 5.252 1.00 0.00 C ATOM 711 CD LYS A 572 -15.928 -3.844 6.640 1.00 0.00 C ATOM 712 CE LYS A 572 -15.768 -2.480 7.314 1.00 0.00 C ATOM 713 NZ LYS A 572 -16.641 -2.385 8.506 1.00 0.00 N ATOM 0 H LYS A 572 -12.036 -3.874 3.352 1.00 0.00 H new ATOM 0 HA LYS A 572 -13.007 -5.905 3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 572 -14.657 -5.902 5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 572 -13.397 -4.735 5.811 1.00 0.00 H new ATOM 0 HG2 LYS A 572 -14.822 -2.879 5.058 1.00 0.00 H new ATOM 0 HG3 LYS A 572 -16.050 -3.994 4.491 1.00 0.00 H new ATOM 0 HD2 LYS A 572 -16.987 -4.089 6.554 1.00 0.00 H new ATOM 0 HD3 LYS A 572 -15.471 -4.616 7.260 1.00 0.00 H new ATOM 0 HE2 LYS A 572 -14.728 -2.331 7.605 1.00 0.00 H new ATOM 0 HE3 LYS A 572 -16.018 -1.688 6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 572 -16.520 -1.453 8.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 572 -17.634 -2.506 8.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 572 -16.383 -3.129 9.185 1.00 0.00 H new ATOM 727 N SER A 573 -15.698 -6.312 3.112 1.00 0.00 N ATOM 728 CA SER A 573 -16.789 -6.741 2.253 1.00 0.00 C ATOM 729 C SER A 573 -16.269 -7.007 0.839 1.00 0.00 C ATOM 730 O SER A 573 -16.351 -6.140 -0.029 1.00 0.00 O ATOM 731 CB SER A 573 -17.906 -5.696 2.220 1.00 0.00 C ATOM 732 OG SER A 573 -18.790 -5.895 1.120 1.00 0.00 O ATOM 0 H SER A 573 -15.689 -6.742 4.037 1.00 0.00 H new ATOM 0 HA SER A 573 -17.203 -7.664 2.660 1.00 0.00 H new ATOM 0 HB2 SER A 573 -18.471 -5.739 3.151 1.00 0.00 H new ATOM 0 HB3 SER A 573 -17.469 -4.699 2.158 1.00 0.00 H new ATOM 0 HG SER A 573 -19.490 -5.209 1.135 1.00 0.00 H new ATOM 738 N THR A 574 -15.746 -8.210 0.653 1.00 0.00 N ATOM 739 CA THR A 574 -15.213 -8.602 -0.641 1.00 0.00 C ATOM 740 C THR A 574 -16.030 -9.754 -1.228 1.00 0.00 C ATOM 741 O THR A 574 -16.188 -10.795 -0.593 1.00 0.00 O ATOM 742 CB THR A 574 -13.731 -8.938 -0.460 1.00 0.00 C ATOM 743 OG1 THR A 574 -13.287 -9.271 -1.772 1.00 0.00 O ATOM 744 CG2 THR A 574 -13.517 -10.223 0.343 1.00 0.00 C ATOM 0 H THR A 574 -15.680 -8.926 1.376 1.00 0.00 H new ATOM 0 HA THR A 574 -15.291 -7.789 -1.363 1.00 0.00 H new ATOM 0 HB THR A 574 -13.229 -8.109 0.039 1.00 0.00 H new ATOM 0 HG1 THR A 574 -12.335 -9.501 -1.747 1.00 0.00 H new ATOM 0 HG21 THR A 574 -12.449 -10.416 0.443 1.00 0.00 H new ATOM 0 HG22 THR A 574 -13.959 -10.111 1.333 1.00 0.00 H new ATOM 0 HG23 THR A 574 -13.990 -11.058 -0.174 1.00 0.00 H new ATOM 752 N GLY A 575 -16.528 -9.528 -2.435 1.00 0.00 N ATOM 753 CA GLY A 575 -17.326 -10.535 -3.116 1.00 0.00 C ATOM 754 C GLY A 575 -16.451 -11.693 -3.600 1.00 0.00 C ATOM 755 O GLY A 575 -15.373 -11.473 -4.150 1.00 0.00 O ATOM 0 H GLY A 575 -16.395 -8.663 -2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 575 -18.094 -10.912 -2.441 1.00 0.00 H new ATOM 0 HA3 GLY A 575 -17.840 -10.084 -3.965 1.00 0.00 H new ATOM 759 N ALA A 576 -16.947 -12.901 -3.377 1.00 0.00 N ATOM 760 CA ALA A 576 -16.224 -14.094 -3.784 1.00 0.00 C ATOM 761 C ALA A 576 -14.737 -13.917 -3.466 1.00 0.00 C ATOM 762 O ALA A 576 -13.958 -13.515 -4.329 1.00 0.00 O ATOM 763 CB ALA A 576 -16.475 -14.361 -5.269 1.00 0.00 C ATOM 0 H ALA A 576 -17.841 -13.079 -2.920 1.00 0.00 H new ATOM 0 HA ALA A 576 -16.578 -14.965 -3.232 1.00 0.00 H new ATOM 0 HB1 ALA A 576 -15.933 -15.256 -5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 576 -17.542 -14.508 -5.437 1.00 0.00 H new ATOM 0 HB3 ALA A 576 -16.129 -13.510 -5.855 1.00 0.00 H new ATOM 769 N PRO A 577 -14.380 -14.233 -2.193 1.00 0.00 N ATOM 770 CA PRO A 577 -13.001 -14.113 -1.751 1.00 0.00 C ATOM 771 C PRO A 577 -12.145 -15.251 -2.310 1.00 0.00 C ATOM 772 O PRO A 577 -12.135 -16.352 -1.762 1.00 0.00 O ATOM 773 CB PRO A 577 -13.073 -14.115 -0.233 1.00 0.00 C ATOM 774 CG PRO A 577 -14.431 -14.700 0.119 1.00 0.00 C ATOM 775 CD PRO A 577 -15.276 -14.711 -1.144 1.00 0.00 C ATOM 0 HA PRO A 577 -12.521 -13.204 -2.113 1.00 0.00 H new ATOM 0 HB2 PRO A 577 -12.268 -14.712 0.195 1.00 0.00 H new ATOM 0 HB3 PRO A 577 -12.968 -13.105 0.164 1.00 0.00 H new ATOM 0 HG2 PRO A 577 -14.321 -15.710 0.513 1.00 0.00 H new ATOM 0 HG3 PRO A 577 -14.913 -14.106 0.895 1.00 0.00 H new ATOM 0 HD2 PRO A 577 -15.645 -15.712 -1.365 1.00 0.00 H new ATOM 0 HD3 PRO A 577 -16.148 -14.065 -1.043 1.00 0.00 H new TER 783 PRO A 577