USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=6 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 535 HIS : no HD1:sc= -1.54 X(o=-2.7,f=-2.3) USER MOD Set 1.2: A 561 GLN : amide:sc= -1.14 K(o=-2.7,f=-1.3) USER MOD Single : A 529 HIS : no HD1:sc= -0.889 K(o=-0.89,f=-0.3) 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 533 GLN : amide:sc= -4.82! K(o=-4.8!,f=-0.32) USER MOD Single : A 537 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 542 MET CE :methyl 172:sc= -6.58! (180deg=-6.59!) USER MOD Single : A 543 GLN : amide:sc= -2.36! K(o=-2.4!,f=-0.94) USER MOD Single : A 546 GLN : amide:sc= -18.8! C(o=-19!,f=-31!) USER MOD Single : A 548 THR OG1 : rot 180:sc= -0.527 USER MOD Single : A 551 GLN : amide:sc= -7.46! C(o=-7.5!,f=-9.2!) USER MOD Single : A 554 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 559 GLN : amide:sc= -0.0151 X(o=-0.015,f=-0.22) 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= -0.435 K(o=-0.44,f=-1.2) USER MOD Single : A 571 GLN : amide:sc= -2.2! X(o=-2.2!,f=-1.7) 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 6.034 -13.611 -8.712 1.00 0.00 N ATOM 2 CA HIS A 529 6.610 -12.452 -8.052 1.00 0.00 C ATOM 3 C HIS A 529 5.824 -11.197 -8.439 1.00 0.00 C ATOM 4 O HIS A 529 6.169 -10.518 -9.405 1.00 0.00 O ATOM 5 CB HIS A 529 8.103 -12.336 -8.363 1.00 0.00 C ATOM 6 CG HIS A 529 8.459 -12.651 -9.796 1.00 0.00 C ATOM 7 ND1 HIS A 529 9.748 -12.951 -10.200 1.00 0.00 N ATOM 8 CD2 HIS A 529 7.680 -12.710 -10.915 1.00 0.00 C ATOM 9 CE1 HIS A 529 9.735 -13.178 -11.506 1.00 0.00 C ATOM 10 NE2 HIS A 529 8.452 -13.028 -11.947 1.00 0.00 N ATOM 0 HA HIS A 529 6.531 -12.568 -6.971 1.00 0.00 H new ATOM 0 HB2 HIS A 529 8.434 -11.324 -8.131 1.00 0.00 H new ATOM 0 HB3 HIS A 529 8.654 -13.010 -7.706 1.00 0.00 H new ATOM 0 HD2 HIS A 529 6.616 -12.529 -10.954 1.00 0.00 H new ATOM 0 HE1 HIS A 529 10.589 -13.436 -12.114 1.00 0.00 H new ATOM 0 HE2 HIS A 529 8.138 -13.142 -12.911 1.00 0.00 H new ATOM 18 N MET A 530 4.783 -10.928 -7.665 1.00 0.00 N ATOM 19 CA MET A 530 3.946 -9.767 -7.915 1.00 0.00 C ATOM 20 C MET A 530 4.785 -8.574 -8.377 1.00 0.00 C ATOM 21 O MET A 530 5.572 -8.028 -7.605 1.00 0.00 O ATOM 22 CB MET A 530 3.192 -9.396 -6.637 1.00 0.00 C ATOM 23 CG MET A 530 1.713 -9.772 -6.744 1.00 0.00 C ATOM 24 SD MET A 530 1.447 -11.404 -6.072 1.00 0.00 S ATOM 25 CE MET A 530 -0.071 -11.128 -5.175 1.00 0.00 C ATOM 0 H MET A 530 4.500 -11.494 -6.865 1.00 0.00 H new ATOM 0 HA MET A 530 3.238 -10.017 -8.706 1.00 0.00 H new ATOM 0 HB2 MET A 530 3.640 -9.907 -5.785 1.00 0.00 H new ATOM 0 HB3 MET A 530 3.286 -8.326 -6.453 1.00 0.00 H new ATOM 0 HG2 MET A 530 1.105 -9.045 -6.206 1.00 0.00 H new ATOM 0 HG3 MET A 530 1.397 -9.743 -7.787 1.00 0.00 H new ATOM 0 HE1 MET A 530 -0.381 -12.054 -4.691 1.00 0.00 H new ATOM 0 HE2 MET A 530 0.088 -10.359 -4.419 1.00 0.00 H new ATOM 0 HE3 MET A 530 -0.848 -10.802 -5.866 1.00 0.00 H new ATOM 35 N THR A 531 4.589 -8.205 -9.634 1.00 0.00 N ATOM 36 CA THR A 531 5.319 -7.087 -10.208 1.00 0.00 C ATOM 37 C THR A 531 5.402 -5.933 -9.206 1.00 0.00 C ATOM 38 O THR A 531 4.668 -5.910 -8.219 1.00 0.00 O ATOM 39 CB THR A 531 4.637 -6.702 -11.522 1.00 0.00 C ATOM 40 OG1 THR A 531 3.337 -6.272 -11.126 1.00 0.00 O ATOM 41 CG2 THR A 531 4.371 -7.912 -12.420 1.00 0.00 C ATOM 0 H THR A 531 3.935 -8.660 -10.271 1.00 0.00 H new ATOM 0 HA THR A 531 6.351 -7.360 -10.428 1.00 0.00 H new ATOM 0 HB THR A 531 5.258 -5.983 -12.056 1.00 0.00 H new ATOM 0 HG1 THR A 531 2.826 -6.002 -11.918 1.00 0.00 H new ATOM 0 HG21 THR A 531 3.886 -7.583 -13.339 1.00 0.00 H new ATOM 0 HG22 THR A 531 5.315 -8.400 -12.662 1.00 0.00 H new ATOM 0 HG23 THR A 531 3.722 -8.616 -11.899 1.00 0.00 H new ATOM 49 N PRO A 532 6.326 -4.980 -9.502 1.00 0.00 N ATOM 50 CA PRO A 532 6.514 -3.827 -8.639 1.00 0.00 C ATOM 51 C PRO A 532 5.373 -2.822 -8.809 1.00 0.00 C ATOM 52 O PRO A 532 5.159 -1.969 -7.949 1.00 0.00 O ATOM 53 CB PRO A 532 7.868 -3.259 -9.031 1.00 0.00 C ATOM 54 CG PRO A 532 8.178 -3.830 -10.405 1.00 0.00 C ATOM 55 CD PRO A 532 7.212 -4.975 -10.662 1.00 0.00 C ATOM 0 HA PRO A 532 6.497 -4.087 -7.581 1.00 0.00 H new ATOM 0 HB2 PRO A 532 7.842 -2.170 -9.058 1.00 0.00 H new ATOM 0 HB3 PRO A 532 8.634 -3.542 -8.309 1.00 0.00 H new ATOM 0 HG2 PRO A 532 8.072 -3.062 -11.171 1.00 0.00 H new ATOM 0 HG3 PRO A 532 9.208 -4.183 -10.448 1.00 0.00 H new ATOM 0 HD2 PRO A 532 6.654 -4.822 -11.586 1.00 0.00 H new ATOM 0 HD3 PRO A 532 7.740 -5.924 -10.761 1.00 0.00 H new ATOM 63 N GLN A 533 4.670 -2.957 -9.924 1.00 0.00 N ATOM 64 CA GLN A 533 3.555 -2.072 -10.218 1.00 0.00 C ATOM 65 C GLN A 533 2.382 -2.367 -9.281 1.00 0.00 C ATOM 66 O GLN A 533 1.703 -1.449 -8.823 1.00 0.00 O ATOM 67 CB GLN A 533 3.131 -2.192 -11.683 1.00 0.00 C ATOM 68 CG GLN A 533 1.735 -1.605 -11.899 1.00 0.00 C ATOM 69 CD GLN A 533 0.718 -2.707 -12.205 1.00 0.00 C ATOM 70 OE1 GLN A 533 -0.191 -2.544 -13.001 1.00 0.00 O ATOM 71 NE2 GLN A 533 0.923 -3.834 -11.529 1.00 0.00 N ATOM 0 H GLN A 533 4.851 -3.666 -10.635 1.00 0.00 H new ATOM 0 HA GLN A 533 3.878 -1.044 -10.051 1.00 0.00 H new ATOM 0 HB2 GLN A 533 3.850 -1.673 -12.317 1.00 0.00 H new ATOM 0 HB3 GLN A 533 3.139 -3.240 -11.983 1.00 0.00 H new ATOM 0 HG2 GLN A 533 1.426 -1.057 -11.009 1.00 0.00 H new ATOM 0 HG3 GLN A 533 1.760 -0.890 -12.721 1.00 0.00 H new ATOM 0 HE21 GLN A 533 1.705 -3.903 -10.877 1.00 0.00 H new ATOM 0 HE22 GLN A 533 0.299 -4.630 -11.662 1.00 0.00 H new ATOM 80 N ASP A 534 2.179 -3.651 -9.025 1.00 0.00 N ATOM 81 CA ASP A 534 1.099 -4.078 -8.152 1.00 0.00 C ATOM 82 C ASP A 534 1.398 -3.628 -6.720 1.00 0.00 C ATOM 83 O ASP A 534 0.497 -3.207 -5.997 1.00 0.00 O ATOM 84 CB ASP A 534 0.963 -5.602 -8.149 1.00 0.00 C ATOM 85 CG ASP A 534 -0.447 -6.125 -7.866 1.00 0.00 C ATOM 86 OD1 ASP A 534 -1.341 -5.819 -8.685 1.00 0.00 O ATOM 87 OD2 ASP A 534 -0.600 -6.818 -6.837 1.00 0.00 O ATOM 0 H ASP A 534 2.744 -4.409 -9.407 1.00 0.00 H new ATOM 0 HA ASP A 534 0.174 -3.634 -8.519 1.00 0.00 H new ATOM 0 HB2 ASP A 534 1.288 -5.983 -9.117 1.00 0.00 H new ATOM 0 HB3 ASP A 534 1.643 -6.011 -7.401 1.00 0.00 H new ATOM 92 N HIS A 535 2.667 -3.732 -6.354 1.00 0.00 N ATOM 93 CA HIS A 535 3.096 -3.341 -5.022 1.00 0.00 C ATOM 94 C HIS A 535 2.953 -1.826 -4.861 1.00 0.00 C ATOM 95 O HIS A 535 2.778 -1.331 -3.749 1.00 0.00 O ATOM 96 CB HIS A 535 4.517 -3.835 -4.742 1.00 0.00 C ATOM 97 CG HIS A 535 4.639 -5.338 -4.657 1.00 0.00 C ATOM 98 ND1 HIS A 535 3.608 -6.150 -4.216 1.00 0.00 N ATOM 99 CD2 HIS A 535 5.679 -6.167 -4.961 1.00 0.00 C ATOM 100 CE1 HIS A 535 4.021 -7.408 -4.256 1.00 0.00 C ATOM 101 NE2 HIS A 535 5.304 -7.416 -4.717 1.00 0.00 N ATOM 0 H HIS A 535 3.412 -4.081 -6.957 1.00 0.00 H new ATOM 0 HA HIS A 535 2.456 -3.813 -4.277 1.00 0.00 H new ATOM 0 HB2 HIS A 535 5.179 -3.471 -5.528 1.00 0.00 H new ATOM 0 HB3 HIS A 535 4.864 -3.399 -3.805 1.00 0.00 H new ATOM 0 HD2 HIS A 535 6.644 -5.859 -5.336 1.00 0.00 H new ATOM 0 HE1 HIS A 535 3.443 -8.275 -3.973 1.00 0.00 H new ATOM 0 HE2 HIS A 535 5.881 -8.246 -4.852 1.00 0.00 H new ATOM 109 N GLU A 536 3.033 -1.133 -5.988 1.00 0.00 N ATOM 110 CA GLU A 536 2.915 0.315 -5.986 1.00 0.00 C ATOM 111 C GLU A 536 1.442 0.727 -6.048 1.00 0.00 C ATOM 112 O GLU A 536 1.130 1.902 -6.234 1.00 0.00 O ATOM 113 CB GLU A 536 3.706 0.931 -7.141 1.00 0.00 C ATOM 114 CG GLU A 536 4.610 2.062 -6.644 1.00 0.00 C ATOM 115 CD GLU A 536 5.358 2.716 -7.807 1.00 0.00 C ATOM 116 OE1 GLU A 536 6.424 2.175 -8.172 1.00 0.00 O ATOM 117 OE2 GLU A 536 4.847 3.743 -8.305 1.00 0.00 O ATOM 0 H GLU A 536 3.178 -1.548 -6.908 1.00 0.00 H new ATOM 0 HA GLU A 536 3.339 0.694 -5.056 1.00 0.00 H new ATOM 0 HB2 GLU A 536 4.310 0.163 -7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 536 3.018 1.315 -7.894 1.00 0.00 H new ATOM 0 HG2 GLU A 536 4.011 2.810 -6.125 1.00 0.00 H new ATOM 0 HG3 GLU A 536 5.325 1.670 -5.921 1.00 0.00 H new ATOM 124 N LYS A 537 0.577 -0.263 -5.889 1.00 0.00 N ATOM 125 CA LYS A 537 -0.855 -0.018 -5.924 1.00 0.00 C ATOM 126 C LYS A 537 -1.263 0.782 -4.685 1.00 0.00 C ATOM 127 O LYS A 537 -2.271 1.486 -4.701 1.00 0.00 O ATOM 128 CB LYS A 537 -1.620 -1.334 -6.086 1.00 0.00 C ATOM 129 CG LYS A 537 -1.454 -1.894 -7.500 1.00 0.00 C ATOM 130 CD LYS A 537 -2.663 -1.548 -8.372 1.00 0.00 C ATOM 131 CE LYS A 537 -2.285 -1.539 -9.854 1.00 0.00 C ATOM 132 NZ LYS A 537 -2.939 -2.662 -10.563 1.00 0.00 N ATOM 0 H LYS A 537 0.840 -1.237 -5.736 1.00 0.00 H new ATOM 0 HA LYS A 537 -1.117 0.586 -6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 537 -1.259 -2.061 -5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 537 -2.677 -1.172 -5.877 1.00 0.00 H new ATOM 0 HG2 LYS A 537 -0.548 -1.489 -7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 537 -1.332 -2.976 -7.454 1.00 0.00 H new ATOM 0 HD2 LYS A 537 -3.459 -2.273 -8.200 1.00 0.00 H new ATOM 0 HD3 LYS A 537 -3.054 -0.571 -8.087 1.00 0.00 H new ATOM 0 HE2 LYS A 537 -2.583 -0.593 -10.306 1.00 0.00 H new ATOM 0 HE3 LYS A 537 -1.203 -1.615 -9.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 537 -2.672 -2.641 -11.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 537 -2.634 -3.563 -10.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 537 -3.972 -2.572 -10.478 1.00 0.00 H new ATOM 146 N ALA A 538 -0.458 0.646 -3.642 1.00 0.00 N ATOM 147 CA ALA A 538 -0.722 1.347 -2.397 1.00 0.00 C ATOM 148 C ALA A 538 -0.455 2.841 -2.592 1.00 0.00 C ATOM 149 O ALA A 538 -1.099 3.678 -1.960 1.00 0.00 O ATOM 150 CB ALA A 538 0.131 0.744 -1.280 1.00 0.00 C ATOM 0 H ALA A 538 0.377 0.061 -3.633 1.00 0.00 H new ATOM 0 HA ALA A 538 -1.766 1.233 -2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -0.067 1.270 -0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -0.117 -0.311 -1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 538 1.186 0.842 -1.535 1.00 0.00 H new ATOM 156 N ALA A 539 0.496 3.131 -3.468 1.00 0.00 N ATOM 157 CA ALA A 539 0.856 4.509 -3.754 1.00 0.00 C ATOM 158 C ALA A 539 -0.393 5.278 -4.191 1.00 0.00 C ATOM 159 O ALA A 539 -0.547 6.454 -3.866 1.00 0.00 O ATOM 160 CB ALA A 539 1.959 4.539 -4.813 1.00 0.00 C ATOM 0 H ALA A 539 1.028 2.434 -3.989 1.00 0.00 H new ATOM 0 HA ALA A 539 1.248 4.996 -2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 539 2.229 5.573 -5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 539 2.834 4.005 -4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 539 1.601 4.061 -5.725 1.00 0.00 H new ATOM 166 N LEU A 540 -1.253 4.581 -4.920 1.00 0.00 N ATOM 167 CA LEU A 540 -2.483 5.184 -5.404 1.00 0.00 C ATOM 168 C LEU A 540 -3.402 5.480 -4.217 1.00 0.00 C ATOM 169 O LEU A 540 -4.111 6.486 -4.212 1.00 0.00 O ATOM 170 CB LEU A 540 -3.127 4.300 -6.475 1.00 0.00 C ATOM 171 CG LEU A 540 -4.656 4.237 -6.462 1.00 0.00 C ATOM 172 CD1 LEU A 540 -5.234 4.665 -7.812 1.00 0.00 C ATOM 173 CD2 LEU A 540 -5.143 2.848 -6.044 1.00 0.00 C ATOM 0 H LEU A 540 -1.122 3.605 -5.187 1.00 0.00 H new ATOM 0 HA LEU A 540 -2.275 6.136 -5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 540 -2.806 4.657 -7.454 1.00 0.00 H new ATOM 0 HB3 LEU A 540 -2.740 3.287 -6.363 1.00 0.00 H new ATOM 0 HG LEU A 540 -5.021 4.944 -5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 540 -6.322 4.611 -7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 540 -4.929 5.688 -8.031 1.00 0.00 H new ATOM 0 HD13 LEU A 540 -4.864 4.001 -8.593 1.00 0.00 H new ATOM 0 HD21 LEU A 540 -6.233 2.830 -6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 540 -4.768 2.104 -6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 540 -4.775 2.619 -5.044 1.00 0.00 H new ATOM 185 N ILE A 541 -3.361 4.586 -3.240 1.00 0.00 N ATOM 186 CA ILE A 541 -4.182 4.740 -2.051 1.00 0.00 C ATOM 187 C ILE A 541 -3.448 5.625 -1.041 1.00 0.00 C ATOM 188 O ILE A 541 -4.076 6.265 -0.199 1.00 0.00 O ATOM 189 CB ILE A 541 -4.580 3.371 -1.494 1.00 0.00 C ATOM 190 CG1 ILE A 541 -5.682 2.734 -2.342 1.00 0.00 C ATOM 191 CG2 ILE A 541 -4.977 3.473 -0.020 1.00 0.00 C ATOM 192 CD1 ILE A 541 -5.223 1.395 -2.922 1.00 0.00 C ATOM 0 H ILE A 541 -2.772 3.753 -3.247 1.00 0.00 H new ATOM 0 HA ILE A 541 -5.117 5.243 -2.296 1.00 0.00 H new ATOM 0 HB ILE A 541 -3.712 2.714 -1.548 1.00 0.00 H new ATOM 0 HG12 ILE A 541 -6.573 2.584 -1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 541 -5.959 3.409 -3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 541 -5.255 2.487 0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 541 -4.135 3.854 0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 541 -5.824 4.151 0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 541 -6.025 0.964 -3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 541 -4.346 1.552 -3.550 1.00 0.00 H new ATOM 0 HD13 ILE A 541 -4.970 0.714 -2.109 1.00 0.00 H new ATOM 204 N MET A 542 -2.128 5.632 -1.158 1.00 0.00 N ATOM 205 CA MET A 542 -1.302 6.428 -0.266 1.00 0.00 C ATOM 206 C MET A 542 -1.706 7.903 -0.314 1.00 0.00 C ATOM 207 O MET A 542 -1.600 8.612 0.685 1.00 0.00 O ATOM 208 CB MET A 542 0.167 6.288 -0.669 1.00 0.00 C ATOM 209 CG MET A 542 0.648 7.526 -1.428 1.00 0.00 C ATOM 210 SD MET A 542 2.242 7.210 -2.166 1.00 0.00 S ATOM 211 CE MET A 542 1.948 7.826 -3.815 1.00 0.00 C ATOM 0 H MET A 542 -1.610 5.099 -1.857 1.00 0.00 H new ATOM 0 HA MET A 542 -1.445 6.064 0.752 1.00 0.00 H new ATOM 0 HB2 MET A 542 0.779 6.142 0.221 1.00 0.00 H new ATOM 0 HB3 MET A 542 0.294 5.403 -1.292 1.00 0.00 H new ATOM 0 HG2 MET A 542 -0.073 7.792 -2.201 1.00 0.00 H new ATOM 0 HG3 MET A 542 0.715 8.376 -0.749 1.00 0.00 H new ATOM 0 HE1 MET A 542 2.885 7.836 -4.372 1.00 0.00 H new ATOM 0 HE2 MET A 542 1.231 7.180 -4.322 1.00 0.00 H new ATOM 0 HE3 MET A 542 1.548 8.838 -3.759 1.00 0.00 H new ATOM 221 N GLN A 543 -2.162 8.321 -1.486 1.00 0.00 N ATOM 222 CA GLN A 543 -2.582 9.698 -1.678 1.00 0.00 C ATOM 223 C GLN A 543 -3.743 10.034 -0.739 1.00 0.00 C ATOM 224 O GLN A 543 -3.786 11.120 -0.164 1.00 0.00 O ATOM 225 CB GLN A 543 -2.964 9.957 -3.136 1.00 0.00 C ATOM 226 CG GLN A 543 -1.718 10.084 -4.015 1.00 0.00 C ATOM 227 CD GLN A 543 -1.990 9.571 -5.431 1.00 0.00 C ATOM 228 OE1 GLN A 543 -1.741 10.241 -6.420 1.00 0.00 O ATOM 229 NE2 GLN A 543 -2.514 8.350 -5.472 1.00 0.00 N ATOM 0 H GLN A 543 -2.250 7.729 -2.312 1.00 0.00 H new ATOM 0 HA GLN A 543 -1.743 10.350 -1.436 1.00 0.00 H new ATOM 0 HB2 GLN A 543 -3.590 9.143 -3.502 1.00 0.00 H new ATOM 0 HB3 GLN A 543 -3.556 10.870 -3.204 1.00 0.00 H new ATOM 0 HG2 GLN A 543 -1.403 11.127 -4.057 1.00 0.00 H new ATOM 0 HG3 GLN A 543 -0.897 9.520 -3.572 1.00 0.00 H new ATOM 0 HE21 GLN A 543 -2.697 7.844 -4.605 1.00 0.00 H new ATOM 0 HE22 GLN A 543 -2.733 7.919 -6.370 1.00 0.00 H new ATOM 238 N VAL A 544 -4.655 9.082 -0.614 1.00 0.00 N ATOM 239 CA VAL A 544 -5.813 9.263 0.245 1.00 0.00 C ATOM 240 C VAL A 544 -5.346 9.456 1.689 1.00 0.00 C ATOM 241 O VAL A 544 -6.010 10.132 2.474 1.00 0.00 O ATOM 242 CB VAL A 544 -6.776 8.085 0.081 1.00 0.00 C ATOM 243 CG1 VAL A 544 -8.154 8.419 0.656 1.00 0.00 C ATOM 244 CG2 VAL A 544 -6.882 7.664 -1.386 1.00 0.00 C ATOM 0 H VAL A 544 -4.616 8.182 -1.093 1.00 0.00 H new ATOM 0 HA VAL A 544 -6.364 10.159 -0.041 1.00 0.00 H new ATOM 0 HB VAL A 544 -6.373 7.243 0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 544 -8.819 7.565 0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 544 -8.060 8.648 1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 544 -8.566 9.282 0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 544 -7.572 6.825 -1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 544 -7.250 8.501 -1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 544 -5.899 7.365 -1.751 1.00 0.00 H new ATOM 254 N LEU A 545 -4.208 8.851 1.996 1.00 0.00 N ATOM 255 CA LEU A 545 -3.645 8.949 3.332 1.00 0.00 C ATOM 256 C LEU A 545 -3.168 10.382 3.576 1.00 0.00 C ATOM 257 O LEU A 545 -3.842 11.157 4.252 1.00 0.00 O ATOM 258 CB LEU A 545 -2.554 7.895 3.531 1.00 0.00 C ATOM 259 CG LEU A 545 -2.578 7.150 4.868 1.00 0.00 C ATOM 260 CD1 LEU A 545 -1.235 6.469 5.140 1.00 0.00 C ATOM 261 CD2 LEU A 545 -2.988 8.084 6.009 1.00 0.00 C ATOM 0 H LEU A 545 -3.660 8.291 1.342 1.00 0.00 H new ATOM 0 HA LEU A 545 -4.405 8.734 4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -2.633 7.162 2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 545 -1.584 8.380 3.425 1.00 0.00 H new ATOM 0 HG LEU A 545 -3.331 6.365 4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -1.279 5.947 6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -1.022 5.754 4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 545 -0.446 7.220 5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -2.997 7.530 6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 545 -2.276 8.906 6.080 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -3.984 8.482 5.813 1.00 0.00 H new ATOM 273 N GLN A 546 -2.009 10.689 3.013 1.00 0.00 N ATOM 274 CA GLN A 546 -1.433 12.015 3.161 1.00 0.00 C ATOM 275 C GLN A 546 -1.669 12.841 1.894 1.00 0.00 C ATOM 276 O GLN A 546 -1.913 14.044 1.970 1.00 0.00 O ATOM 277 CB GLN A 546 0.058 11.932 3.491 1.00 0.00 C ATOM 278 CG GLN A 546 0.293 11.120 4.766 1.00 0.00 C ATOM 279 CD GLN A 546 0.005 9.636 4.532 1.00 0.00 C ATOM 280 OE1 GLN A 546 -0.683 8.982 5.299 1.00 0.00 O ATOM 281 NE2 GLN A 546 0.567 9.142 3.433 1.00 0.00 N ATOM 0 H GLN A 546 -1.453 10.042 2.453 1.00 0.00 H new ATOM 0 HA GLN A 546 -1.928 12.514 3.994 1.00 0.00 H new ATOM 0 HB2 GLN A 546 0.593 11.473 2.660 1.00 0.00 H new ATOM 0 HB3 GLN A 546 0.463 12.936 3.615 1.00 0.00 H new ATOM 0 HG2 GLN A 546 1.324 11.246 5.097 1.00 0.00 H new ATOM 0 HG3 GLN A 546 -0.346 11.497 5.564 1.00 0.00 H new ATOM 0 HE21 GLN A 546 1.131 9.744 2.834 1.00 0.00 H new ATOM 0 HE22 GLN A 546 0.434 8.161 3.189 1.00 0.00 H new ATOM 290 N LEU A 547 -1.588 12.161 0.760 1.00 0.00 N ATOM 291 CA LEU A 547 -1.790 12.817 -0.521 1.00 0.00 C ATOM 292 C LEU A 547 -0.431 13.190 -1.117 1.00 0.00 C ATOM 293 O LEU A 547 -0.355 14.008 -2.033 1.00 0.00 O ATOM 294 CB LEU A 547 -2.743 14.004 -0.371 1.00 0.00 C ATOM 295 CG LEU A 547 -3.535 14.390 -1.622 1.00 0.00 C ATOM 296 CD1 LEU A 547 -5.009 14.629 -1.286 1.00 0.00 C ATOM 297 CD2 LEU A 547 -2.904 15.596 -2.320 1.00 0.00 C ATOM 0 H LEU A 547 -1.385 11.163 0.701 1.00 0.00 H new ATOM 0 HA LEU A 547 -2.272 12.139 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 547 -3.450 13.778 0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 547 -2.165 14.870 -0.049 1.00 0.00 H new ATOM 0 HG LEU A 547 -3.495 13.555 -2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 547 -5.549 14.902 -2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 547 -5.439 13.719 -0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 547 -5.090 15.437 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 547 -3.486 15.849 -3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 547 -2.892 16.446 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 547 -1.883 15.353 -2.614 1.00 0.00 H new ATOM 309 N THR A 548 0.608 12.574 -0.574 1.00 0.00 N ATOM 310 CA THR A 548 1.959 12.831 -1.041 1.00 0.00 C ATOM 311 C THR A 548 2.790 11.547 -1.005 1.00 0.00 C ATOM 312 O THR A 548 2.679 10.757 -0.069 1.00 0.00 O ATOM 313 CB THR A 548 2.547 13.958 -0.189 1.00 0.00 C ATOM 314 OG1 THR A 548 1.464 14.869 -0.023 1.00 0.00 O ATOM 315 CG2 THR A 548 3.605 14.769 -0.940 1.00 0.00 C ATOM 0 H THR A 548 0.541 11.897 0.186 1.00 0.00 H new ATOM 0 HA THR A 548 1.962 13.154 -2.082 1.00 0.00 H new ATOM 0 HB THR A 548 2.987 13.538 0.715 1.00 0.00 H new ATOM 0 HG1 THR A 548 1.757 15.630 0.520 1.00 0.00 H new ATOM 0 HG21 THR A 548 3.990 15.555 -0.290 1.00 0.00 H new ATOM 0 HG22 THR A 548 4.422 14.113 -1.238 1.00 0.00 H new ATOM 0 HG23 THR A 548 3.158 15.218 -1.827 1.00 0.00 H new ATOM 323 N ALA A 549 3.603 11.377 -2.037 1.00 0.00 N ATOM 324 CA ALA A 549 4.452 10.202 -2.136 1.00 0.00 C ATOM 325 C ALA A 549 5.783 10.479 -1.435 1.00 0.00 C ATOM 326 O ALA A 549 6.664 9.622 -1.408 1.00 0.00 O ATOM 327 CB ALA A 549 4.635 9.827 -3.608 1.00 0.00 C ATOM 0 H ALA A 549 3.692 12.034 -2.812 1.00 0.00 H new ATOM 0 HA ALA A 549 3.988 9.351 -1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 549 5.272 8.946 -3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 549 3.663 9.611 -4.052 1.00 0.00 H new ATOM 0 HB3 ALA A 549 5.100 10.657 -4.140 1.00 0.00 H new ATOM 333 N ASP A 550 5.886 11.680 -0.884 1.00 0.00 N ATOM 334 CA ASP A 550 7.095 12.080 -0.184 1.00 0.00 C ATOM 335 C ASP A 550 7.274 11.204 1.058 1.00 0.00 C ATOM 336 O ASP A 550 8.358 10.673 1.296 1.00 0.00 O ATOM 337 CB ASP A 550 7.009 13.538 0.274 1.00 0.00 C ATOM 338 CG ASP A 550 8.356 14.210 0.548 1.00 0.00 C ATOM 339 OD1 ASP A 550 9.296 13.470 0.910 1.00 0.00 O ATOM 340 OD2 ASP A 550 8.414 15.448 0.389 1.00 0.00 O ATOM 0 H ASP A 550 5.153 12.388 -0.908 1.00 0.00 H new ATOM 0 HA ASP A 550 7.935 11.966 -0.869 1.00 0.00 H new ATOM 0 HB2 ASP A 550 6.482 14.112 -0.488 1.00 0.00 H new ATOM 0 HB3 ASP A 550 6.406 13.583 1.181 1.00 0.00 H new ATOM 345 N GLN A 551 6.195 11.081 1.816 1.00 0.00 N ATOM 346 CA GLN A 551 6.219 10.278 3.027 1.00 0.00 C ATOM 347 C GLN A 551 6.323 8.793 2.678 1.00 0.00 C ATOM 348 O GLN A 551 7.026 8.041 3.351 1.00 0.00 O ATOM 349 CB GLN A 551 4.987 10.554 3.892 1.00 0.00 C ATOM 350 CG GLN A 551 4.810 12.054 4.132 1.00 0.00 C ATOM 351 CD GLN A 551 3.971 12.692 3.022 1.00 0.00 C ATOM 352 OE1 GLN A 551 4.364 13.658 2.389 1.00 0.00 O ATOM 353 NE2 GLN A 551 2.798 12.098 2.822 1.00 0.00 N ATOM 0 H GLN A 551 5.298 11.524 1.615 1.00 0.00 H new ATOM 0 HA GLN A 551 7.099 10.556 3.607 1.00 0.00 H new ATOM 0 HB2 GLN A 551 4.099 10.153 3.404 1.00 0.00 H new ATOM 0 HB3 GLN A 551 5.086 10.039 4.847 1.00 0.00 H new ATOM 0 HG2 GLN A 551 4.328 12.217 5.096 1.00 0.00 H new ATOM 0 HG3 GLN A 551 5.786 12.536 4.178 1.00 0.00 H new ATOM 0 HE21 GLN A 551 2.531 11.293 3.388 1.00 0.00 H new ATOM 0 HE22 GLN A 551 2.165 12.448 2.102 1.00 0.00 H new ATOM 362 N ILE A 552 5.611 8.414 1.626 1.00 0.00 N ATOM 363 CA ILE A 552 5.614 7.031 1.179 1.00 0.00 C ATOM 364 C ILE A 552 6.978 6.700 0.570 1.00 0.00 C ATOM 365 O ILE A 552 7.427 5.556 0.630 1.00 0.00 O ATOM 366 CB ILE A 552 4.439 6.771 0.235 1.00 0.00 C ATOM 367 CG1 ILE A 552 3.129 6.640 1.013 1.00 0.00 C ATOM 368 CG2 ILE A 552 4.706 5.551 -0.649 1.00 0.00 C ATOM 369 CD1 ILE A 552 2.713 5.173 1.144 1.00 0.00 C ATOM 0 H ILE A 552 5.028 9.041 1.071 1.00 0.00 H new ATOM 0 HA ILE A 552 5.469 6.357 2.023 1.00 0.00 H new ATOM 0 HB ILE A 552 4.335 7.631 -0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 552 3.245 7.079 2.004 1.00 0.00 H new ATOM 0 HG13 ILE A 552 2.343 7.201 0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 552 3.855 5.388 -1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 552 5.602 5.723 -1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 552 4.851 4.672 -0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 552 1.779 5.108 1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 552 2.574 4.744 0.152 1.00 0.00 H new ATOM 0 HD13 ILE A 552 3.490 4.620 1.673 1.00 0.00 H new ATOM 381 N ALA A 553 7.599 7.721 -0.002 1.00 0.00 N ATOM 382 CA ALA A 553 8.902 7.552 -0.622 1.00 0.00 C ATOM 383 C ALA A 553 9.903 7.069 0.430 1.00 0.00 C ATOM 384 O ALA A 553 10.924 6.471 0.092 1.00 0.00 O ATOM 385 CB ALA A 553 9.331 8.868 -1.275 1.00 0.00 C ATOM 0 H ALA A 553 7.224 8.668 -0.049 1.00 0.00 H new ATOM 0 HA ALA A 553 8.859 6.797 -1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 553 10.309 8.742 -1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 553 8.602 9.152 -2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 553 9.388 9.649 -0.517 1.00 0.00 H new ATOM 391 N MET A 554 9.577 7.347 1.683 1.00 0.00 N ATOM 392 CA MET A 554 10.434 6.949 2.786 1.00 0.00 C ATOM 393 C MET A 554 10.017 5.585 3.340 1.00 0.00 C ATOM 394 O MET A 554 10.673 5.045 4.230 1.00 0.00 O ATOM 395 CB MET A 554 10.357 7.997 3.898 1.00 0.00 C ATOM 396 CG MET A 554 11.030 9.302 3.468 1.00 0.00 C ATOM 397 SD MET A 554 12.092 9.900 4.772 1.00 0.00 S ATOM 398 CE MET A 554 13.591 10.185 3.845 1.00 0.00 C ATOM 0 H MET A 554 8.730 7.844 1.959 1.00 0.00 H new ATOM 0 HA MET A 554 11.457 6.873 2.417 1.00 0.00 H new ATOM 0 HB2 MET A 554 9.314 8.188 4.152 1.00 0.00 H new ATOM 0 HB3 MET A 554 10.839 7.614 4.798 1.00 0.00 H new ATOM 0 HG2 MET A 554 11.611 9.139 2.560 1.00 0.00 H new ATOM 0 HG3 MET A 554 10.273 10.050 3.232 1.00 0.00 H new ATOM 0 HE1 MET A 554 14.365 10.564 4.512 1.00 0.00 H new ATOM 0 HE2 MET A 554 13.925 9.249 3.396 1.00 0.00 H new ATOM 0 HE3 MET A 554 13.400 10.916 3.060 1.00 0.00 H new ATOM 408 N LEU A 555 8.928 5.067 2.792 1.00 0.00 N ATOM 409 CA LEU A 555 8.415 3.777 3.220 1.00 0.00 C ATOM 410 C LEU A 555 9.002 2.679 2.331 1.00 0.00 C ATOM 411 O LEU A 555 9.248 2.899 1.147 1.00 0.00 O ATOM 412 CB LEU A 555 6.885 3.791 3.250 1.00 0.00 C ATOM 413 CG LEU A 555 6.244 4.548 4.415 1.00 0.00 C ATOM 414 CD1 LEU A 555 4.787 4.123 4.608 1.00 0.00 C ATOM 415 CD2 LEU A 555 7.065 4.381 5.695 1.00 0.00 C ATOM 0 H LEU A 555 8.386 5.518 2.055 1.00 0.00 H new ATOM 0 HA LEU A 555 8.729 3.563 4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 555 6.527 4.228 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 555 6.532 2.760 3.275 1.00 0.00 H new ATOM 0 HG LEU A 555 6.240 5.611 4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 555 4.354 4.676 5.442 1.00 0.00 H new ATOM 0 HD12 LEU A 555 4.223 4.336 3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 555 4.745 3.055 4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 555 6.588 4.929 6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 555 7.123 3.324 5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 555 8.070 4.771 5.536 1.00 0.00 H new ATOM 427 N PRO A 556 9.216 1.489 2.954 1.00 0.00 N ATOM 428 CA PRO A 556 9.770 0.356 2.233 1.00 0.00 C ATOM 429 C PRO A 556 8.722 -0.274 1.313 1.00 0.00 C ATOM 430 O PRO A 556 7.552 0.104 1.348 1.00 0.00 O ATOM 431 CB PRO A 556 10.262 -0.595 3.312 1.00 0.00 C ATOM 432 CG PRO A 556 9.552 -0.179 4.589 1.00 0.00 C ATOM 433 CD PRO A 556 8.937 1.191 4.356 1.00 0.00 C ATOM 0 HA PRO A 556 10.586 0.639 1.568 1.00 0.00 H new ATOM 0 HB2 PRO A 556 10.031 -1.629 3.056 1.00 0.00 H new ATOM 0 HB3 PRO A 556 11.344 -0.529 3.427 1.00 0.00 H new ATOM 0 HG2 PRO A 556 8.781 -0.904 4.850 1.00 0.00 H new ATOM 0 HG3 PRO A 556 10.254 -0.146 5.422 1.00 0.00 H new ATOM 0 HD2 PRO A 556 7.865 1.183 4.553 1.00 0.00 H new ATOM 0 HD3 PRO A 556 9.377 1.940 5.015 1.00 0.00 H new ATOM 441 N PRO A 557 9.192 -1.249 0.489 1.00 0.00 N ATOM 442 CA PRO A 557 8.309 -1.935 -0.438 1.00 0.00 C ATOM 443 C PRO A 557 7.415 -2.937 0.295 1.00 0.00 C ATOM 444 O PRO A 557 6.252 -3.115 -0.064 1.00 0.00 O ATOM 445 CB PRO A 557 9.234 -2.594 -1.449 1.00 0.00 C ATOM 446 CG PRO A 557 10.604 -2.642 -0.791 1.00 0.00 C ATOM 447 CD PRO A 557 10.572 -1.723 0.420 1.00 0.00 C ATOM 0 HA PRO A 557 7.614 -1.258 -0.935 1.00 0.00 H new ATOM 0 HB2 PRO A 557 8.887 -3.596 -1.701 1.00 0.00 H new ATOM 0 HB3 PRO A 557 9.267 -2.025 -2.378 1.00 0.00 H new ATOM 0 HG2 PRO A 557 10.848 -3.661 -0.491 1.00 0.00 H new ATOM 0 HG3 PRO A 557 11.376 -2.323 -1.492 1.00 0.00 H new ATOM 0 HD2 PRO A 557 10.854 -2.255 1.329 1.00 0.00 H new ATOM 0 HD3 PRO A 557 11.270 -0.894 0.307 1.00 0.00 H new ATOM 455 N GLU A 558 7.992 -3.565 1.309 1.00 0.00 N ATOM 456 CA GLU A 558 7.262 -4.545 2.096 1.00 0.00 C ATOM 457 C GLU A 558 6.219 -3.850 2.973 1.00 0.00 C ATOM 458 O GLU A 558 5.448 -4.510 3.668 1.00 0.00 O ATOM 459 CB GLU A 558 8.217 -5.389 2.942 1.00 0.00 C ATOM 460 CG GLU A 558 7.483 -6.570 3.582 1.00 0.00 C ATOM 461 CD GLU A 558 8.462 -7.491 4.314 1.00 0.00 C ATOM 462 OE1 GLU A 558 9.297 -8.103 3.614 1.00 0.00 O ATOM 463 OE2 GLU A 558 8.352 -7.562 5.557 1.00 0.00 O ATOM 0 H GLU A 558 8.957 -3.414 1.604 1.00 0.00 H new ATOM 0 HA GLU A 558 6.743 -5.218 1.414 1.00 0.00 H new ATOM 0 HB2 GLU A 558 9.032 -5.757 2.319 1.00 0.00 H new ATOM 0 HB3 GLU A 558 8.664 -4.770 3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 558 6.733 -6.201 4.281 1.00 0.00 H new ATOM 0 HG3 GLU A 558 6.953 -7.133 2.814 1.00 0.00 H new ATOM 470 N GLN A 559 6.229 -2.526 2.913 1.00 0.00 N ATOM 471 CA GLN A 559 5.293 -1.735 3.693 1.00 0.00 C ATOM 472 C GLN A 559 4.366 -0.944 2.768 1.00 0.00 C ATOM 473 O GLN A 559 3.180 -0.790 3.056 1.00 0.00 O ATOM 474 CB GLN A 559 6.033 -0.803 4.656 1.00 0.00 C ATOM 475 CG GLN A 559 6.330 -1.507 5.981 1.00 0.00 C ATOM 476 CD GLN A 559 5.801 -0.694 7.164 1.00 0.00 C ATOM 477 OE1 GLN A 559 5.892 0.521 7.206 1.00 0.00 O ATOM 478 NE2 GLN A 559 5.243 -1.432 8.121 1.00 0.00 N ATOM 0 H GLN A 559 6.871 -1.982 2.336 1.00 0.00 H new ATOM 0 HA GLN A 559 4.684 -2.413 4.291 1.00 0.00 H new ATOM 0 HB2 GLN A 559 6.965 -0.469 4.200 1.00 0.00 H new ATOM 0 HB3 GLN A 559 5.432 0.087 4.840 1.00 0.00 H new ATOM 0 HG2 GLN A 559 5.873 -2.497 5.982 1.00 0.00 H new ATOM 0 HG3 GLN A 559 7.405 -1.652 6.087 1.00 0.00 H new ATOM 0 HE21 GLN A 559 5.199 -2.446 8.023 1.00 0.00 H new ATOM 0 HE22 GLN A 559 4.859 -0.983 8.953 1.00 0.00 H new ATOM 487 N ARG A 560 4.942 -0.464 1.676 1.00 0.00 N ATOM 488 CA ARG A 560 4.182 0.308 0.707 1.00 0.00 C ATOM 489 C ARG A 560 2.918 -0.451 0.299 1.00 0.00 C ATOM 490 O ARG A 560 1.805 0.017 0.534 1.00 0.00 O ATOM 491 CB ARG A 560 5.018 0.601 -0.541 1.00 0.00 C ATOM 492 CG ARG A 560 4.814 2.043 -1.011 1.00 0.00 C ATOM 493 CD ARG A 560 6.154 2.711 -1.325 1.00 0.00 C ATOM 494 NE ARG A 560 7.088 1.723 -1.910 1.00 0.00 N ATOM 495 CZ ARG A 560 8.393 1.950 -2.110 1.00 0.00 C ATOM 496 NH1 ARG A 560 8.927 3.132 -1.773 1.00 0.00 N ATOM 497 NH2 ARG A 560 9.165 0.994 -2.646 1.00 0.00 N ATOM 0 H ARG A 560 5.926 -0.594 1.440 1.00 0.00 H new ATOM 0 HA ARG A 560 3.908 1.253 1.177 1.00 0.00 H new ATOM 0 HB2 ARG A 560 6.073 0.431 -0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 560 4.741 -0.088 -1.339 1.00 0.00 H new ATOM 0 HG2 ARG A 560 4.181 2.054 -1.898 1.00 0.00 H new ATOM 0 HG3 ARG A 560 4.292 2.610 -0.240 1.00 0.00 H new ATOM 0 HD2 ARG A 560 6.004 3.537 -2.020 1.00 0.00 H new ATOM 0 HD3 ARG A 560 6.581 3.133 -0.415 1.00 0.00 H new ATOM 0 HE ARG A 560 6.715 0.812 -2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 560 8.340 3.859 -1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 560 9.921 3.305 -1.925 1.00 0.00 H new ATOM 0 HH21 ARG A 560 8.759 0.094 -2.901 1.00 0.00 H new ATOM 0 HH22 ARG A 560 10.159 1.167 -2.798 1.00 0.00 H new ATOM 511 N GLN A 561 3.131 -1.610 -0.306 1.00 0.00 N ATOM 512 CA GLN A 561 2.022 -2.438 -0.750 1.00 0.00 C ATOM 513 C GLN A 561 1.094 -2.754 0.425 1.00 0.00 C ATOM 514 O GLN A 561 -0.096 -3.000 0.231 1.00 0.00 O ATOM 515 CB GLN A 561 2.527 -3.723 -1.410 1.00 0.00 C ATOM 516 CG GLN A 561 1.360 -4.620 -1.827 1.00 0.00 C ATOM 517 CD GLN A 561 1.512 -6.025 -1.240 1.00 0.00 C ATOM 518 OE1 GLN A 561 1.727 -6.999 -1.943 1.00 0.00 O ATOM 519 NE2 GLN A 561 1.389 -6.075 0.083 1.00 0.00 N ATOM 0 H GLN A 561 4.055 -1.996 -0.499 1.00 0.00 H new ATOM 0 HA GLN A 561 1.455 -1.883 -1.498 1.00 0.00 H new ATOM 0 HB2 GLN A 561 3.130 -3.475 -2.284 1.00 0.00 H new ATOM 0 HB3 GLN A 561 3.175 -4.261 -0.718 1.00 0.00 H new ATOM 0 HG2 GLN A 561 0.421 -4.181 -1.490 1.00 0.00 H new ATOM 0 HG3 GLN A 561 1.313 -4.679 -2.914 1.00 0.00 H new ATOM 0 HE21 GLN A 561 1.209 -5.221 0.611 1.00 0.00 H new ATOM 0 HE22 GLN A 561 1.474 -6.967 0.570 1.00 0.00 H new ATOM 528 N SER A 562 1.672 -2.737 1.616 1.00 0.00 N ATOM 529 CA SER A 562 0.911 -3.019 2.822 1.00 0.00 C ATOM 530 C SER A 562 -0.428 -2.279 2.780 1.00 0.00 C ATOM 531 O SER A 562 -1.439 -2.791 3.258 1.00 0.00 O ATOM 532 CB SER A 562 1.697 -2.625 4.074 1.00 0.00 C ATOM 533 OG SER A 562 1.309 -3.392 5.211 1.00 0.00 O ATOM 0 H SER A 562 2.659 -2.532 1.773 1.00 0.00 H new ATOM 0 HA SER A 562 0.725 -4.092 2.866 1.00 0.00 H new ATOM 0 HB2 SER A 562 2.763 -2.762 3.891 1.00 0.00 H new ATOM 0 HB3 SER A 562 1.542 -1.566 4.281 1.00 0.00 H new ATOM 0 HG SER A 562 1.835 -3.112 5.989 1.00 0.00 H new ATOM 539 N ILE A 563 -0.390 -1.086 2.205 1.00 0.00 N ATOM 540 CA ILE A 563 -1.588 -0.270 2.095 1.00 0.00 C ATOM 541 C ILE A 563 -2.627 -1.010 1.250 1.00 0.00 C ATOM 542 O ILE A 563 -3.814 -1.001 1.573 1.00 0.00 O ATOM 543 CB ILE A 563 -1.241 1.121 1.563 1.00 0.00 C ATOM 544 CG1 ILE A 563 -1.157 2.139 2.702 1.00 0.00 C ATOM 545 CG2 ILE A 563 -2.229 1.556 0.478 1.00 0.00 C ATOM 546 CD1 ILE A 563 -0.299 3.341 2.302 1.00 0.00 C ATOM 0 H ILE A 563 0.451 -0.665 1.810 1.00 0.00 H new ATOM 0 HA ILE A 563 -2.031 -0.109 3.078 1.00 0.00 H new ATOM 0 HB ILE A 563 -0.255 1.073 1.101 1.00 0.00 H new ATOM 0 HG12 ILE A 563 -2.159 2.476 2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 563 -0.734 1.665 3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 563 -1.959 2.548 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 563 -2.196 0.847 -0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 563 -3.237 1.582 0.893 1.00 0.00 H new ATOM 0 HD11 ILE A 563 -0.256 4.049 3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 563 0.709 3.004 2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 563 -0.738 3.827 1.431 1.00 0.00 H new ATOM 558 N LEU A 564 -2.144 -1.633 0.186 1.00 0.00 N ATOM 559 CA LEU A 564 -3.017 -2.376 -0.707 1.00 0.00 C ATOM 560 C LEU A 564 -3.702 -3.499 0.074 1.00 0.00 C ATOM 561 O LEU A 564 -4.859 -3.824 -0.186 1.00 0.00 O ATOM 562 CB LEU A 564 -2.240 -2.864 -1.932 1.00 0.00 C ATOM 563 CG LEU A 564 -2.909 -3.967 -2.754 1.00 0.00 C ATOM 564 CD1 LEU A 564 -2.457 -3.913 -4.215 1.00 0.00 C ATOM 565 CD2 LEU A 564 -2.663 -5.342 -2.129 1.00 0.00 C ATOM 0 H LEU A 564 -1.159 -1.639 -0.078 1.00 0.00 H new ATOM 0 HA LEU A 564 -3.805 -1.730 -1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 564 -2.058 -2.011 -2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 564 -1.267 -3.225 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 564 -3.985 -3.796 -2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 564 -2.947 -4.708 -4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 564 -2.725 -2.947 -4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 564 -1.376 -4.046 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 564 -3.149 -6.108 -2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 564 -1.591 -5.537 -2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 564 -3.073 -5.361 -1.119 1.00 0.00 H new ATOM 577 N ILE A 565 -2.958 -4.060 1.015 1.00 0.00 N ATOM 578 CA ILE A 565 -3.479 -5.140 1.836 1.00 0.00 C ATOM 579 C ILE A 565 -4.565 -4.591 2.764 1.00 0.00 C ATOM 580 O ILE A 565 -5.634 -5.186 2.894 1.00 0.00 O ATOM 581 CB ILE A 565 -2.342 -5.850 2.573 1.00 0.00 C ATOM 582 CG1 ILE A 565 -1.220 -6.237 1.608 1.00 0.00 C ATOM 583 CG2 ILE A 565 -2.865 -7.055 3.358 1.00 0.00 C ATOM 584 CD1 ILE A 565 -1.656 -7.383 0.692 1.00 0.00 C ATOM 0 H ILE A 565 -1.998 -3.787 1.228 1.00 0.00 H new ATOM 0 HA ILE A 565 -3.947 -5.901 1.212 1.00 0.00 H new ATOM 0 HB ILE A 565 -1.918 -5.154 3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 565 -0.939 -5.373 1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 565 -0.336 -6.534 2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 565 -2.036 -7.542 3.872 1.00 0.00 H new ATOM 0 HG22 ILE A 565 -3.601 -6.721 4.090 1.00 0.00 H new ATOM 0 HG23 ILE A 565 -3.331 -7.762 2.672 1.00 0.00 H new ATOM 0 HD11 ILE A 565 -0.840 -7.639 0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 565 -1.914 -8.253 1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 565 -2.525 -7.074 0.111 1.00 0.00 H new ATOM 596 N LEU A 566 -4.254 -3.463 3.384 1.00 0.00 N ATOM 597 CA LEU A 566 -5.190 -2.827 4.296 1.00 0.00 C ATOM 598 C LEU A 566 -6.383 -2.289 3.502 1.00 0.00 C ATOM 599 O LEU A 566 -7.503 -2.250 4.009 1.00 0.00 O ATOM 600 CB LEU A 566 -4.481 -1.763 5.136 1.00 0.00 C ATOM 601 CG LEU A 566 -4.460 -2.006 6.647 1.00 0.00 C ATOM 602 CD1 LEU A 566 -3.705 -3.292 6.985 1.00 0.00 C ATOM 603 CD2 LEU A 566 -3.891 -0.795 7.389 1.00 0.00 C ATOM 0 H LEU A 566 -3.367 -2.972 3.273 1.00 0.00 H new ATOM 0 HA LEU A 566 -5.581 -3.554 5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -3.452 -1.679 4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -4.960 -0.802 4.949 1.00 0.00 H new ATOM 0 HG LEU A 566 -5.487 -2.138 6.986 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -3.705 -3.441 8.065 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -4.193 -4.138 6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -2.678 -3.215 6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -3.887 -0.994 8.461 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -2.872 -0.607 7.051 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -4.508 0.080 7.184 1.00 0.00 H new ATOM 615 N LYS A 567 -6.101 -1.888 2.271 1.00 0.00 N ATOM 616 CA LYS A 567 -7.137 -1.355 1.403 1.00 0.00 C ATOM 617 C LYS A 567 -8.220 -2.415 1.197 1.00 0.00 C ATOM 618 O LYS A 567 -9.408 -2.131 1.346 1.00 0.00 O ATOM 619 CB LYS A 567 -6.528 -0.837 0.098 1.00 0.00 C ATOM 620 CG LYS A 567 -6.592 0.690 0.031 1.00 0.00 C ATOM 621 CD LYS A 567 -7.983 1.163 -0.393 1.00 0.00 C ATOM 622 CE LYS A 567 -8.309 2.527 0.218 1.00 0.00 C ATOM 623 NZ LYS A 567 -9.765 2.784 0.166 1.00 0.00 N ATOM 0 H LYS A 567 -5.171 -1.922 1.854 1.00 0.00 H new ATOM 0 HA LYS A 567 -7.618 -0.494 1.868 1.00 0.00 H new ATOM 0 HB2 LYS A 567 -5.491 -1.165 0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 567 -7.061 -1.264 -0.751 1.00 0.00 H new ATOM 0 HG2 LYS A 567 -6.342 1.111 1.005 1.00 0.00 H new ATOM 0 HG3 LYS A 567 -5.848 1.058 -0.676 1.00 0.00 H new ATOM 0 HD2 LYS A 567 -8.034 1.226 -1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 567 -8.730 0.433 -0.081 1.00 0.00 H new ATOM 0 HE2 LYS A 567 -7.965 2.561 1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 567 -7.776 3.310 -0.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 -9.969 3.714 0.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 -10.084 2.773 -0.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 -10.267 2.046 0.700 1.00 0.00 H new ATOM 637 N GLU A 568 -7.773 -3.615 0.859 1.00 0.00 N ATOM 638 CA GLU A 568 -8.690 -4.719 0.631 1.00 0.00 C ATOM 639 C GLU A 568 -9.388 -5.106 1.937 1.00 0.00 C ATOM 640 O GLU A 568 -10.554 -5.499 1.928 1.00 0.00 O ATOM 641 CB GLU A 568 -7.962 -5.919 0.022 1.00 0.00 C ATOM 642 CG GLU A 568 -6.844 -6.409 0.945 1.00 0.00 C ATOM 643 CD GLU A 568 -6.430 -7.839 0.593 1.00 0.00 C ATOM 644 OE1 GLU A 568 -5.862 -8.011 -0.508 1.00 0.00 O ATOM 645 OE2 GLU A 568 -6.690 -8.728 1.432 1.00 0.00 O ATOM 0 H GLU A 568 -6.787 -3.847 0.737 1.00 0.00 H new ATOM 0 HA GLU A 568 -9.448 -4.396 -0.082 1.00 0.00 H new ATOM 0 HB2 GLU A 568 -8.672 -6.727 -0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 568 -7.544 -5.642 -0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 568 -5.983 -5.746 0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 568 -7.179 -6.368 1.981 1.00 0.00 H new ATOM 652 N GLN A 569 -8.646 -4.982 3.027 1.00 0.00 N ATOM 653 CA GLN A 569 -9.179 -5.314 4.337 1.00 0.00 C ATOM 654 C GLN A 569 -10.318 -4.360 4.704 1.00 0.00 C ATOM 655 O GLN A 569 -11.302 -4.769 5.319 1.00 0.00 O ATOM 656 CB GLN A 569 -8.079 -5.288 5.400 1.00 0.00 C ATOM 657 CG GLN A 569 -7.727 -6.705 5.859 1.00 0.00 C ATOM 658 CD GLN A 569 -6.211 -6.912 5.886 1.00 0.00 C ATOM 659 OE1 GLN A 569 -5.461 -6.124 6.438 1.00 0.00 O ATOM 660 NE2 GLN A 569 -5.805 -8.013 5.261 1.00 0.00 N ATOM 0 H GLN A 569 -7.679 -4.656 3.030 1.00 0.00 H new ATOM 0 HA GLN A 569 -9.578 -6.328 4.299 1.00 0.00 H new ATOM 0 HB2 GLN A 569 -7.191 -4.801 4.998 1.00 0.00 H new ATOM 0 HB3 GLN A 569 -8.408 -4.696 6.254 1.00 0.00 H new ATOM 0 HG2 GLN A 569 -8.140 -6.882 6.852 1.00 0.00 H new ATOM 0 HG3 GLN A 569 -8.185 -7.432 5.189 1.00 0.00 H new ATOM 0 HE21 GLN A 569 -6.487 -8.630 4.819 1.00 0.00 H new ATOM 0 HE22 GLN A 569 -4.812 -8.241 5.223 1.00 0.00 H new ATOM 669 N ILE A 570 -10.147 -3.106 4.310 1.00 0.00 N ATOM 670 CA ILE A 570 -11.148 -2.091 4.590 1.00 0.00 C ATOM 671 C ILE A 570 -12.486 -2.519 3.982 1.00 0.00 C ATOM 672 O ILE A 570 -13.534 -2.359 4.604 1.00 0.00 O ATOM 673 CB ILE A 570 -10.667 -0.719 4.115 1.00 0.00 C ATOM 674 CG1 ILE A 570 -9.554 -0.185 5.018 1.00 0.00 C ATOM 675 CG2 ILE A 570 -11.835 0.263 4.002 1.00 0.00 C ATOM 676 CD1 ILE A 570 -8.867 1.027 4.385 1.00 0.00 C ATOM 0 H ILE A 570 -9.330 -2.770 3.799 1.00 0.00 H new ATOM 0 HA ILE A 570 -11.302 -1.994 5.665 1.00 0.00 H new ATOM 0 HB ILE A 570 -10.244 -0.832 3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 570 -9.969 0.093 5.987 1.00 0.00 H new ATOM 0 HG13 ILE A 570 -8.820 -0.970 5.199 1.00 0.00 H new ATOM 0 HG21 ILE A 570 -11.465 1.231 3.662 1.00 0.00 H new ATOM 0 HG22 ILE A 570 -12.563 -0.119 3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 570 -12.310 0.378 4.977 1.00 0.00 H new ATOM 0 HD11 ILE A 570 -8.080 1.387 5.048 1.00 0.00 H new ATOM 0 HD12 ILE A 570 -8.432 0.740 3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 570 -9.599 1.819 4.228 1.00 0.00 H new ATOM 688 N GLN A 571 -12.405 -3.053 2.772 1.00 0.00 N ATOM 689 CA GLN A 571 -13.596 -3.505 2.073 1.00 0.00 C ATOM 690 C GLN A 571 -14.297 -4.604 2.874 1.00 0.00 C ATOM 691 O GLN A 571 -15.524 -4.625 2.962 1.00 0.00 O ATOM 692 CB GLN A 571 -13.253 -3.988 0.662 1.00 0.00 C ATOM 693 CG GLN A 571 -13.087 -2.808 -0.297 1.00 0.00 C ATOM 694 CD GLN A 571 -11.666 -2.755 -0.861 1.00 0.00 C ATOM 695 OE1 GLN A 571 -11.208 -3.656 -1.545 1.00 0.00 O ATOM 696 NE2 GLN A 571 -10.995 -1.654 -0.536 1.00 0.00 N ATOM 0 H GLN A 571 -11.533 -3.183 2.258 1.00 0.00 H new ATOM 0 HA GLN A 571 -14.279 -2.661 1.977 1.00 0.00 H new ATOM 0 HB2 GLN A 571 -12.333 -4.572 0.688 1.00 0.00 H new ATOM 0 HB3 GLN A 571 -14.040 -4.648 0.299 1.00 0.00 H new ATOM 0 HG2 GLN A 571 -13.803 -2.895 -1.114 1.00 0.00 H new ATOM 0 HG3 GLN A 571 -13.310 -1.877 0.224 1.00 0.00 H new ATOM 0 HE21 GLN A 571 -11.438 -0.938 0.040 1.00 0.00 H new ATOM 0 HE22 GLN A 571 -10.037 -1.525 -0.863 1.00 0.00 H new ATOM 705 N LYS A 572 -13.488 -5.489 3.437 1.00 0.00 N ATOM 706 CA LYS A 572 -14.016 -6.588 4.227 1.00 0.00 C ATOM 707 C LYS A 572 -14.175 -6.135 5.680 1.00 0.00 C ATOM 708 O LYS A 572 -13.482 -6.630 6.568 1.00 0.00 O ATOM 709 CB LYS A 572 -13.143 -7.834 4.064 1.00 0.00 C ATOM 710 CG LYS A 572 -13.564 -8.642 2.834 1.00 0.00 C ATOM 711 CD LYS A 572 -12.536 -9.728 2.513 1.00 0.00 C ATOM 712 CE LYS A 572 -12.899 -11.046 3.200 1.00 0.00 C ATOM 713 NZ LYS A 572 -11.928 -12.103 2.838 1.00 0.00 N ATOM 0 H LYS A 572 -12.471 -5.467 3.362 1.00 0.00 H new ATOM 0 HA LYS A 572 -15.006 -6.872 3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 572 -12.098 -7.540 3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 572 -13.220 -8.456 4.956 1.00 0.00 H new ATOM 0 HG2 LYS A 572 -14.538 -9.099 3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 572 -13.675 -7.977 1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 572 -12.485 -9.878 1.435 1.00 0.00 H new ATOM 0 HD3 LYS A 572 -11.547 -9.405 2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 572 -12.910 -10.909 4.281 1.00 0.00 H new ATOM 0 HE3 LYS A 572 -13.904 -11.351 2.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 572 -12.189 -12.991 3.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 572 -11.938 -12.245 1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 572 -10.975 -11.816 3.139 1.00 0.00 H new ATOM 727 N SER A 573 -15.092 -5.200 5.878 1.00 0.00 N ATOM 728 CA SER A 573 -15.351 -4.675 7.207 1.00 0.00 C ATOM 729 C SER A 573 -16.218 -5.657 7.998 1.00 0.00 C ATOM 730 O SER A 573 -17.444 -5.625 7.903 1.00 0.00 O ATOM 731 CB SER A 573 -16.031 -3.306 7.136 1.00 0.00 C ATOM 732 OG SER A 573 -15.573 -2.428 8.161 1.00 0.00 O ATOM 0 H SER A 573 -15.665 -4.792 5.139 1.00 0.00 H new ATOM 0 HA SER A 573 -14.396 -4.550 7.717 1.00 0.00 H new ATOM 0 HB2 SER A 573 -15.840 -2.856 6.162 1.00 0.00 H new ATOM 0 HB3 SER A 573 -17.110 -3.432 7.223 1.00 0.00 H new ATOM 0 HG SER A 573 -16.030 -1.565 8.080 1.00 0.00 H new ATOM 738 N THR A 574 -15.546 -6.507 8.761 1.00 0.00 N ATOM 739 CA THR A 574 -16.240 -7.497 9.569 1.00 0.00 C ATOM 740 C THR A 574 -15.737 -7.454 11.013 1.00 0.00 C ATOM 741 O THR A 574 -16.505 -7.178 11.933 1.00 0.00 O ATOM 742 CB THR A 574 -16.058 -8.862 8.902 1.00 0.00 C ATOM 743 OG1 THR A 574 -17.169 -8.967 8.017 1.00 0.00 O ATOM 744 CG2 THR A 574 -16.250 -10.022 9.881 1.00 0.00 C ATOM 0 H THR A 574 -14.529 -6.531 8.837 1.00 0.00 H new ATOM 0 HA THR A 574 -17.308 -7.286 9.624 1.00 0.00 H new ATOM 0 HB THR A 574 -15.063 -8.920 8.461 1.00 0.00 H new ATOM 0 HG1 THR A 574 -17.129 -9.823 7.542 1.00 0.00 H new ATOM 0 HG21 THR A 574 -16.110 -10.967 9.357 1.00 0.00 H new ATOM 0 HG22 THR A 574 -15.520 -9.942 10.687 1.00 0.00 H new ATOM 0 HG23 THR A 574 -17.257 -9.984 10.298 1.00 0.00 H new ATOM 752 N GLY A 575 -14.451 -7.731 11.167 1.00 0.00 N ATOM 753 CA GLY A 575 -13.837 -7.728 12.484 1.00 0.00 C ATOM 754 C GLY A 575 -12.533 -8.529 12.483 1.00 0.00 C ATOM 755 O GLY A 575 -12.408 -9.519 13.202 1.00 0.00 O ATOM 0 H GLY A 575 -13.817 -7.959 10.401 1.00 0.00 H new ATOM 0 HA2 GLY A 575 -13.638 -6.702 12.794 1.00 0.00 H new ATOM 0 HA3 GLY A 575 -14.528 -8.152 13.212 1.00 0.00 H new ATOM 759 N ALA A 576 -11.595 -8.071 11.667 1.00 0.00 N ATOM 760 CA ALA A 576 -10.306 -8.732 11.563 1.00 0.00 C ATOM 761 C ALA A 576 -10.511 -10.167 11.073 1.00 0.00 C ATOM 762 O ALA A 576 -11.582 -10.744 11.261 1.00 0.00 O ATOM 763 CB ALA A 576 -9.591 -8.674 12.914 1.00 0.00 C ATOM 0 H ALA A 576 -11.702 -7.250 11.072 1.00 0.00 H new ATOM 0 HA ALA A 576 -9.672 -8.223 10.837 1.00 0.00 H new ATOM 0 HB1 ALA A 576 -8.624 -9.170 12.835 1.00 0.00 H new ATOM 0 HB2 ALA A 576 -9.443 -7.633 13.203 1.00 0.00 H new ATOM 0 HB3 ALA A 576 -10.197 -9.177 13.668 1.00 0.00 H new ATOM 769 N PRO A 577 -9.442 -10.717 10.438 1.00 0.00 N ATOM 770 CA PRO A 577 -9.495 -12.074 9.920 1.00 0.00 C ATOM 771 C PRO A 577 -9.392 -13.097 11.053 1.00 0.00 C ATOM 772 O PRO A 577 -9.417 -14.303 10.809 1.00 0.00 O ATOM 773 CB PRO A 577 -8.343 -12.163 8.933 1.00 0.00 C ATOM 774 CG PRO A 577 -7.410 -11.013 9.276 1.00 0.00 C ATOM 775 CD PRO A 577 -8.158 -10.064 10.197 1.00 0.00 C ATOM 0 HA PRO A 577 -10.441 -12.301 9.429 1.00 0.00 H new ATOM 0 HB2 PRO A 577 -7.830 -13.121 9.017 1.00 0.00 H new ATOM 0 HB3 PRO A 577 -8.701 -12.083 7.907 1.00 0.00 H new ATOM 0 HG2 PRO A 577 -6.508 -11.385 9.762 1.00 0.00 H new ATOM 0 HG3 PRO A 577 -7.093 -10.495 8.370 1.00 0.00 H new ATOM 0 HD2 PRO A 577 -7.614 -9.905 11.128 1.00 0.00 H new ATOM 0 HD3 PRO A 577 -8.292 -9.086 9.734 1.00 0.00 H new TER 783 PRO A 577