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 535 HIS : no HD1:sc= -0.465 K(o=-4.2,f=-2.8) USER MOD Set 1.2: A 561 GLN : amide:sc= -3.74! K(o=-4.2!,f=-2.8) USER MOD Set 2.1: A 546 GLN : amide:sc= -13.6! C(o=-14!,f=-11!) USER MOD Set 2.2: A 548 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 551 GLN : amide:sc= -0.761 K(o=-14,f=-11) USER MOD Single : A 529 HIS : no HD1:sc= -0.506 X(o=-0.51,f=-0.2) 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= -4.63! K(o=-4.6!,f=-0.38) USER MOD Single : A 537 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.145) USER MOD Single : A 542 MET CE :methyl -141:sc= -9.33! (180deg=-15.5!) USER MOD Single : A 543 GLN : amide:sc= -2! K(o=-2!,f=-1.3) 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 562 SER OG : rot -66:sc= 0.937 USER MOD Single : A 567 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0267) USER MOD Single : A 569 GLN : amide:sc= -0.888 K(o=-0.89,f=-0.23) USER MOD Single : A 571 GLN : amide:sc= 0 X(o=0,f=0) 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 -67:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 529 5.939 -14.006 -7.880 1.00 0.00 N ATOM 2 CA HIS A 529 6.309 -12.830 -7.110 1.00 0.00 C ATOM 3 C HIS A 529 5.361 -11.678 -7.446 1.00 0.00 C ATOM 4 O HIS A 529 5.294 -11.239 -8.593 1.00 0.00 O ATOM 5 CB HIS A 529 7.780 -12.474 -7.335 1.00 0.00 C ATOM 6 CG HIS A 529 8.665 -12.736 -6.140 1.00 0.00 C ATOM 7 ND1 HIS A 529 10.021 -12.986 -6.252 1.00 0.00 N ATOM 8 CD2 HIS A 529 8.374 -12.782 -4.808 1.00 0.00 C ATOM 9 CE1 HIS A 529 10.514 -13.174 -5.037 1.00 0.00 C ATOM 10 NE2 HIS A 529 9.491 -13.048 -4.143 1.00 0.00 N ATOM 0 HA HIS A 529 6.206 -13.040 -6.045 1.00 0.00 H new ATOM 0 HB2 HIS A 529 8.155 -13.045 -8.184 1.00 0.00 H new ATOM 0 HB3 HIS A 529 7.851 -11.420 -7.603 1.00 0.00 H new ATOM 0 HD2 HIS A 529 7.399 -12.628 -4.369 1.00 0.00 H new ATOM 0 HE1 HIS A 529 11.545 -13.389 -4.796 1.00 0.00 H new ATOM 0 HE2 HIS A 529 9.572 -13.143 -3.131 1.00 0.00 H new ATOM 18 N MET A 530 4.652 -11.220 -6.425 1.00 0.00 N ATOM 19 CA MET A 530 3.711 -10.126 -6.598 1.00 0.00 C ATOM 20 C MET A 530 4.267 -9.070 -7.554 1.00 0.00 C ATOM 21 O MET A 530 5.268 -8.420 -7.254 1.00 0.00 O ATOM 22 CB MET A 530 3.420 -9.483 -5.240 1.00 0.00 C ATOM 23 CG MET A 530 2.020 -9.853 -4.747 1.00 0.00 C ATOM 24 SD MET A 530 2.097 -11.320 -3.733 1.00 0.00 S ATOM 25 CE MET A 530 1.298 -12.490 -4.819 1.00 0.00 C ATOM 0 H MET A 530 4.710 -11.586 -5.475 1.00 0.00 H new ATOM 0 HA MET A 530 2.792 -10.527 -7.025 1.00 0.00 H new ATOM 0 HB2 MET A 530 4.163 -9.809 -4.513 1.00 0.00 H new ATOM 0 HB3 MET A 530 3.506 -8.399 -5.321 1.00 0.00 H new ATOM 0 HG2 MET A 530 1.597 -9.027 -4.175 1.00 0.00 H new ATOM 0 HG3 MET A 530 1.359 -10.023 -5.597 1.00 0.00 H new ATOM 0 HE1 MET A 530 1.261 -13.467 -4.337 1.00 0.00 H new ATOM 0 HE2 MET A 530 0.284 -12.153 -5.034 1.00 0.00 H new ATOM 0 HE3 MET A 530 1.860 -12.565 -5.750 1.00 0.00 H new ATOM 35 N THR A 531 3.595 -8.931 -8.687 1.00 0.00 N ATOM 36 CA THR A 531 4.009 -7.965 -9.690 1.00 0.00 C ATOM 37 C THR A 531 4.420 -6.649 -9.025 1.00 0.00 C ATOM 38 O THR A 531 4.117 -6.420 -7.855 1.00 0.00 O ATOM 39 CB THR A 531 2.867 -7.807 -10.696 1.00 0.00 C ATOM 40 OG1 THR A 531 1.801 -7.256 -9.927 1.00 0.00 O ATOM 41 CG2 THR A 531 2.322 -9.153 -11.178 1.00 0.00 C ATOM 0 H THR A 531 2.766 -9.472 -8.933 1.00 0.00 H new ATOM 0 HA THR A 531 4.891 -8.310 -10.230 1.00 0.00 H new ATOM 0 HB THR A 531 3.214 -7.228 -11.552 1.00 0.00 H new ATOM 0 HG1 THR A 531 1.019 -7.119 -10.502 1.00 0.00 H new ATOM 0 HG21 THR A 531 1.514 -8.984 -11.890 1.00 0.00 H new ATOM 0 HG22 THR A 531 3.120 -9.716 -11.662 1.00 0.00 H new ATOM 0 HG23 THR A 531 1.943 -9.718 -10.326 1.00 0.00 H new ATOM 49 N PRO A 532 5.120 -5.797 -9.821 1.00 0.00 N ATOM 50 CA PRO A 532 5.575 -4.510 -9.322 1.00 0.00 C ATOM 51 C PRO A 532 4.414 -3.519 -9.224 1.00 0.00 C ATOM 52 O PRO A 532 4.498 -2.528 -8.500 1.00 0.00 O ATOM 53 CB PRO A 532 6.652 -4.068 -10.299 1.00 0.00 C ATOM 54 CG PRO A 532 6.438 -4.893 -11.558 1.00 0.00 C ATOM 55 CD PRO A 532 5.496 -6.035 -11.212 1.00 0.00 C ATOM 0 HA PRO A 532 5.974 -4.568 -8.309 1.00 0.00 H new ATOM 0 HB2 PRO A 532 6.572 -3.002 -10.512 1.00 0.00 H new ATOM 0 HB3 PRO A 532 7.647 -4.237 -9.886 1.00 0.00 H new ATOM 0 HG2 PRO A 532 6.015 -4.276 -12.351 1.00 0.00 H new ATOM 0 HG3 PRO A 532 7.388 -5.280 -11.927 1.00 0.00 H new ATOM 0 HD2 PRO A 532 4.622 -6.039 -11.863 1.00 0.00 H new ATOM 0 HD3 PRO A 532 5.986 -7.002 -11.330 1.00 0.00 H new ATOM 63 N GLN A 533 3.356 -3.820 -9.963 1.00 0.00 N ATOM 64 CA GLN A 533 2.179 -2.968 -9.968 1.00 0.00 C ATOM 65 C GLN A 533 1.446 -3.068 -8.629 1.00 0.00 C ATOM 66 O GLN A 533 0.951 -2.067 -8.112 1.00 0.00 O ATOM 67 CB GLN A 533 1.250 -3.323 -11.130 1.00 0.00 C ATOM 68 CG GLN A 533 -0.149 -2.744 -10.911 1.00 0.00 C ATOM 69 CD GLN A 533 -1.165 -3.854 -10.635 1.00 0.00 C ATOM 70 OE1 GLN A 533 -2.308 -3.804 -11.060 1.00 0.00 O ATOM 71 NE2 GLN A 533 -0.687 -4.855 -9.902 1.00 0.00 N ATOM 0 H GLN A 533 3.289 -4.642 -10.563 1.00 0.00 H new ATOM 0 HA GLN A 533 2.502 -1.936 -10.107 1.00 0.00 H new ATOM 0 HB2 GLN A 533 1.665 -2.939 -12.062 1.00 0.00 H new ATOM 0 HB3 GLN A 533 1.187 -4.406 -11.232 1.00 0.00 H new ATOM 0 HG2 GLN A 533 -0.131 -2.046 -10.074 1.00 0.00 H new ATOM 0 HG3 GLN A 533 -0.454 -2.178 -11.791 1.00 0.00 H new ATOM 0 HE21 GLN A 533 0.280 -4.834 -9.578 1.00 0.00 H new ATOM 0 HE22 GLN A 533 -1.287 -5.644 -9.663 1.00 0.00 H new ATOM 80 N ASP A 534 1.398 -4.285 -8.106 1.00 0.00 N ATOM 81 CA ASP A 534 0.733 -4.528 -6.837 1.00 0.00 C ATOM 82 C ASP A 534 1.509 -3.833 -5.718 1.00 0.00 C ATOM 83 O ASP A 534 0.914 -3.305 -4.780 1.00 0.00 O ATOM 84 CB ASP A 534 0.683 -6.024 -6.520 1.00 0.00 C ATOM 85 CG ASP A 534 -0.523 -6.469 -5.690 1.00 0.00 C ATOM 86 OD1 ASP A 534 -1.655 -6.216 -6.154 1.00 0.00 O ATOM 87 OD2 ASP A 534 -0.284 -7.054 -4.611 1.00 0.00 O ATOM 0 H ASP A 534 1.809 -5.113 -8.538 1.00 0.00 H new ATOM 0 HA ASP A 534 -0.283 -4.140 -6.909 1.00 0.00 H new ATOM 0 HB2 ASP A 534 0.684 -6.579 -7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 534 1.593 -6.298 -5.986 1.00 0.00 H new ATOM 92 N HIS A 535 2.827 -3.855 -5.853 1.00 0.00 N ATOM 93 CA HIS A 535 3.691 -3.233 -4.864 1.00 0.00 C ATOM 94 C HIS A 535 3.598 -1.711 -4.985 1.00 0.00 C ATOM 95 O HIS A 535 3.830 -0.992 -4.015 1.00 0.00 O ATOM 96 CB HIS A 535 5.125 -3.751 -4.993 1.00 0.00 C ATOM 97 CG HIS A 535 5.341 -5.119 -4.392 1.00 0.00 C ATOM 98 ND1 HIS A 535 4.305 -5.890 -3.892 1.00 0.00 N ATOM 99 CD2 HIS A 535 6.481 -5.846 -4.215 1.00 0.00 C ATOM 100 CE1 HIS A 535 4.812 -7.027 -3.438 1.00 0.00 C ATOM 101 NE2 HIS A 535 6.160 -6.998 -3.639 1.00 0.00 N ATOM 0 H HIS A 535 3.318 -4.294 -6.632 1.00 0.00 H new ATOM 0 HA HIS A 535 3.357 -3.504 -3.863 1.00 0.00 H new ATOM 0 HB2 HIS A 535 5.395 -3.783 -6.048 1.00 0.00 H new ATOM 0 HB3 HIS A 535 5.800 -3.044 -4.512 1.00 0.00 H new ATOM 0 HD2 HIS A 535 7.477 -5.537 -4.496 1.00 0.00 H new ATOM 0 HE1 HIS A 535 4.255 -7.835 -2.988 1.00 0.00 H new ATOM 0 HE2 HIS A 535 6.814 -7.739 -3.388 1.00 0.00 H new ATOM 109 N GLU A 536 3.256 -1.265 -6.185 1.00 0.00 N ATOM 110 CA GLU A 536 3.129 0.159 -6.446 1.00 0.00 C ATOM 111 C GLU A 536 1.661 0.582 -6.374 1.00 0.00 C ATOM 112 O GLU A 536 1.323 1.721 -6.694 1.00 0.00 O ATOM 113 CB GLU A 536 3.739 0.525 -7.801 1.00 0.00 C ATOM 114 CG GLU A 536 4.963 1.427 -7.625 1.00 0.00 C ATOM 115 CD GLU A 536 5.613 1.738 -8.975 1.00 0.00 C ATOM 116 OE1 GLU A 536 4.865 2.173 -9.878 1.00 0.00 O ATOM 117 OE2 GLU A 536 6.842 1.534 -9.073 1.00 0.00 O ATOM 0 H GLU A 536 3.063 -1.865 -6.987 1.00 0.00 H new ATOM 0 HA GLU A 536 3.682 0.700 -5.678 1.00 0.00 H new ATOM 0 HB2 GLU A 536 4.025 -0.383 -8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 536 2.994 1.032 -8.414 1.00 0.00 H new ATOM 0 HG2 GLU A 536 4.668 2.356 -7.137 1.00 0.00 H new ATOM 0 HG3 GLU A 536 5.687 0.940 -6.972 1.00 0.00 H new ATOM 124 N LYS A 537 0.827 -0.357 -5.952 1.00 0.00 N ATOM 125 CA LYS A 537 -0.597 -0.095 -5.833 1.00 0.00 C ATOM 126 C LYS A 537 -0.839 0.870 -4.671 1.00 0.00 C ATOM 127 O LYS A 537 -1.864 1.549 -4.626 1.00 0.00 O ATOM 128 CB LYS A 537 -1.375 -1.407 -5.715 1.00 0.00 C ATOM 129 CG LYS A 537 -2.479 -1.487 -6.772 1.00 0.00 C ATOM 130 CD LYS A 537 -3.796 -0.926 -6.232 1.00 0.00 C ATOM 131 CE LYS A 537 -4.897 -1.988 -6.262 1.00 0.00 C ATOM 132 NZ LYS A 537 -5.213 -2.368 -7.657 1.00 0.00 N ATOM 0 H LYS A 537 1.110 -1.301 -5.688 1.00 0.00 H new ATOM 0 HA LYS A 537 -0.971 0.391 -6.734 1.00 0.00 H new ATOM 0 HB2 LYS A 537 -0.694 -2.250 -5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 537 -1.813 -1.486 -4.720 1.00 0.00 H new ATOM 0 HG2 LYS A 537 -2.179 -0.930 -7.659 1.00 0.00 H new ATOM 0 HG3 LYS A 537 -2.620 -2.523 -7.079 1.00 0.00 H new ATOM 0 HD2 LYS A 537 -3.654 -0.573 -5.211 1.00 0.00 H new ATOM 0 HD3 LYS A 537 -4.100 -0.065 -6.827 1.00 0.00 H new ATOM 0 HE2 LYS A 537 -4.577 -2.867 -5.703 1.00 0.00 H new ATOM 0 HE3 LYS A 537 -5.792 -1.606 -5.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 537 -6.161 -2.795 -7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 537 -5.190 -1.522 -8.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 537 -4.510 -3.055 -7.997 1.00 0.00 H new ATOM 146 N ALA A 538 0.121 0.900 -3.759 1.00 0.00 N ATOM 147 CA ALA A 538 0.025 1.770 -2.599 1.00 0.00 C ATOM 148 C ALA A 538 0.129 3.228 -3.051 1.00 0.00 C ATOM 149 O ALA A 538 -0.459 4.116 -2.435 1.00 0.00 O ATOM 150 CB ALA A 538 1.110 1.395 -1.588 1.00 0.00 C ATOM 0 H ALA A 538 0.970 0.336 -3.800 1.00 0.00 H new ATOM 0 HA ALA A 538 -0.938 1.645 -2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 538 1.038 2.048 -0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 538 0.975 0.359 -1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 538 2.091 1.511 -2.048 1.00 0.00 H new ATOM 156 N ALA A 539 0.880 3.430 -4.124 1.00 0.00 N ATOM 157 CA ALA A 539 1.069 4.765 -4.666 1.00 0.00 C ATOM 158 C ALA A 539 -0.298 5.403 -4.923 1.00 0.00 C ATOM 159 O ALA A 539 -0.474 6.604 -4.720 1.00 0.00 O ATOM 160 CB ALA A 539 1.923 4.686 -5.933 1.00 0.00 C ATOM 0 H ALA A 539 1.365 2.691 -4.633 1.00 0.00 H new ATOM 0 HA ALA A 539 1.600 5.397 -3.954 1.00 0.00 H new ATOM 0 HB1 ALA A 539 2.065 5.687 -6.339 1.00 0.00 H new ATOM 0 HB2 ALA A 539 2.893 4.252 -5.691 1.00 0.00 H new ATOM 0 HB3 ALA A 539 1.420 4.062 -6.672 1.00 0.00 H new ATOM 166 N LEU A 540 -1.230 4.572 -5.365 1.00 0.00 N ATOM 167 CA LEU A 540 -2.575 5.041 -5.652 1.00 0.00 C ATOM 168 C LEU A 540 -3.280 5.390 -4.339 1.00 0.00 C ATOM 169 O LEU A 540 -4.101 6.305 -4.296 1.00 0.00 O ATOM 170 CB LEU A 540 -3.330 4.016 -6.501 1.00 0.00 C ATOM 171 CG LEU A 540 -4.845 3.960 -6.295 1.00 0.00 C ATOM 172 CD1 LEU A 540 -5.510 5.254 -6.768 1.00 0.00 C ATOM 173 CD2 LEU A 540 -5.445 2.727 -6.973 1.00 0.00 C ATOM 0 H LEU A 540 -1.081 3.577 -5.531 1.00 0.00 H new ATOM 0 HA LEU A 540 -2.541 5.953 -6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 540 -3.134 4.229 -7.552 1.00 0.00 H new ATOM 0 HB3 LEU A 540 -2.918 3.028 -6.294 1.00 0.00 H new ATOM 0 HG LEU A 540 -5.042 3.868 -5.227 1.00 0.00 H new ATOM 0 HD11 LEU A 540 -6.587 5.188 -6.611 1.00 0.00 H new ATOM 0 HD12 LEU A 540 -5.111 6.096 -6.202 1.00 0.00 H new ATOM 0 HD13 LEU A 540 -5.307 5.401 -7.829 1.00 0.00 H new ATOM 0 HD21 LEU A 540 -6.523 2.711 -6.811 1.00 0.00 H new ATOM 0 HD22 LEU A 540 -5.239 2.764 -8.043 1.00 0.00 H new ATOM 0 HD23 LEU A 540 -5.001 1.826 -6.549 1.00 0.00 H new ATOM 185 N ILE A 541 -2.932 4.643 -3.301 1.00 0.00 N ATOM 186 CA ILE A 541 -3.521 4.862 -1.991 1.00 0.00 C ATOM 187 C ILE A 541 -2.669 5.869 -1.216 1.00 0.00 C ATOM 188 O ILE A 541 -3.076 6.348 -0.159 1.00 0.00 O ATOM 189 CB ILE A 541 -3.716 3.532 -1.262 1.00 0.00 C ATOM 190 CG1 ILE A 541 -4.278 2.466 -2.206 1.00 0.00 C ATOM 191 CG2 ILE A 541 -4.587 3.711 -0.017 1.00 0.00 C ATOM 192 CD1 ILE A 541 -5.747 2.743 -2.533 1.00 0.00 C ATOM 0 H ILE A 541 -2.250 3.886 -3.341 1.00 0.00 H new ATOM 0 HA ILE A 541 -4.517 5.294 -2.088 1.00 0.00 H new ATOM 0 HB ILE A 541 -2.740 3.182 -0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 541 -3.694 2.446 -3.126 1.00 0.00 H new ATOM 0 HG13 ILE A 541 -4.183 1.482 -1.747 1.00 0.00 H new ATOM 0 HG21 ILE A 541 -4.710 2.750 0.482 1.00 0.00 H new ATOM 0 HG22 ILE A 541 -4.109 4.415 0.664 1.00 0.00 H new ATOM 0 HG23 ILE A 541 -5.564 4.096 -0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 541 -6.122 1.971 -3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 541 -6.332 2.738 -1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 541 -5.835 3.717 -3.014 1.00 0.00 H new ATOM 204 N MET A 542 -1.503 6.161 -1.772 1.00 0.00 N ATOM 205 CA MET A 542 -0.590 7.103 -1.146 1.00 0.00 C ATOM 206 C MET A 542 -1.233 8.485 -1.015 1.00 0.00 C ATOM 207 O MET A 542 -1.084 9.148 0.010 1.00 0.00 O ATOM 208 CB MET A 542 0.686 7.210 -1.984 1.00 0.00 C ATOM 209 CG MET A 542 1.897 6.689 -1.208 1.00 0.00 C ATOM 210 SD MET A 542 1.948 4.906 -1.282 1.00 0.00 S ATOM 211 CE MET A 542 0.865 4.508 0.081 1.00 0.00 C ATOM 0 H MET A 542 -1.169 5.762 -2.649 1.00 0.00 H new ATOM 0 HA MET A 542 -0.350 6.739 -0.147 1.00 0.00 H new ATOM 0 HB2 MET A 542 0.568 6.641 -2.906 1.00 0.00 H new ATOM 0 HB3 MET A 542 0.852 8.249 -2.269 1.00 0.00 H new ATOM 0 HG2 MET A 542 2.814 7.105 -1.626 1.00 0.00 H new ATOM 0 HG3 MET A 542 1.843 7.017 -0.170 1.00 0.00 H new ATOM 0 HE1 MET A 542 1.260 3.646 0.620 1.00 0.00 H new ATOM 0 HE2 MET A 542 0.802 5.361 0.757 1.00 0.00 H new ATOM 0 HE3 MET A 542 -0.129 4.274 -0.300 1.00 0.00 H new ATOM 221 N GLN A 543 -1.934 8.879 -2.068 1.00 0.00 N ATOM 222 CA GLN A 543 -2.600 10.170 -2.083 1.00 0.00 C ATOM 223 C GLN A 543 -3.737 10.192 -1.060 1.00 0.00 C ATOM 224 O GLN A 543 -3.860 11.139 -0.284 1.00 0.00 O ATOM 225 CB GLN A 543 -3.116 10.504 -3.484 1.00 0.00 C ATOM 226 CG GLN A 543 -2.045 10.232 -4.542 1.00 0.00 C ATOM 227 CD GLN A 543 -2.626 9.448 -5.721 1.00 0.00 C ATOM 228 OE1 GLN A 543 -2.427 9.779 -6.878 1.00 0.00 O ATOM 229 NE2 GLN A 543 -3.353 8.394 -5.364 1.00 0.00 N ATOM 0 H GLN A 543 -2.055 8.327 -2.917 1.00 0.00 H new ATOM 0 HA GLN A 543 -1.874 10.935 -1.807 1.00 0.00 H new ATOM 0 HB2 GLN A 543 -4.004 9.910 -3.699 1.00 0.00 H new ATOM 0 HB3 GLN A 543 -3.415 11.551 -3.525 1.00 0.00 H new ATOM 0 HG2 GLN A 543 -1.631 11.176 -4.897 1.00 0.00 H new ATOM 0 HG3 GLN A 543 -1.223 9.671 -4.097 1.00 0.00 H new ATOM 0 HE21 GLN A 543 -3.480 8.173 -4.376 1.00 0.00 H new ATOM 0 HE22 GLN A 543 -3.784 7.806 -6.078 1.00 0.00 H new ATOM 238 N VAL A 544 -4.540 9.139 -1.092 1.00 0.00 N ATOM 239 CA VAL A 544 -5.663 9.026 -0.177 1.00 0.00 C ATOM 240 C VAL A 544 -5.139 8.797 1.242 1.00 0.00 C ATOM 241 O VAL A 544 -5.728 9.276 2.210 1.00 0.00 O ATOM 242 CB VAL A 544 -6.613 7.923 -0.648 1.00 0.00 C ATOM 243 CG1 VAL A 544 -7.893 7.906 0.190 1.00 0.00 C ATOM 244 CG2 VAL A 544 -6.934 8.074 -2.136 1.00 0.00 C ATOM 0 H VAL A 544 -4.435 8.356 -1.737 1.00 0.00 H new ATOM 0 HA VAL A 544 -6.240 9.951 -0.165 1.00 0.00 H new ATOM 0 HB VAL A 544 -6.109 6.966 -0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 544 -8.550 7.113 -0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 544 -7.641 7.727 1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 544 -8.401 8.866 0.099 1.00 0.00 H new ATOM 0 HG21 VAL A 544 -7.611 7.277 -2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 544 -7.407 9.040 -2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 544 -6.013 8.012 -2.715 1.00 0.00 H new ATOM 254 N LEU A 545 -4.037 8.066 1.320 1.00 0.00 N ATOM 255 CA LEU A 545 -3.426 7.768 2.605 1.00 0.00 C ATOM 256 C LEU A 545 -3.358 9.047 3.441 1.00 0.00 C ATOM 257 O LEU A 545 -4.236 9.302 4.265 1.00 0.00 O ATOM 258 CB LEU A 545 -2.069 7.089 2.408 1.00 0.00 C ATOM 259 CG LEU A 545 -1.313 6.719 3.686 1.00 0.00 C ATOM 260 CD1 LEU A 545 -0.731 7.964 4.359 1.00 0.00 C ATOM 261 CD2 LEU A 545 -2.203 5.917 4.637 1.00 0.00 C ATOM 0 H LEU A 545 -3.551 7.671 0.515 1.00 0.00 H new ATOM 0 HA LEU A 545 -4.035 7.055 3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -2.220 6.182 1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 545 -1.437 7.749 1.814 1.00 0.00 H new ATOM 0 HG LEU A 545 -0.474 6.079 3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -0.199 7.673 5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -0.040 8.458 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 545 -1.538 8.649 4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -1.641 5.667 5.537 1.00 0.00 H new ATOM 0 HD22 LEU A 545 -3.076 6.512 4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -2.527 5.000 4.145 1.00 0.00 H new ATOM 273 N GLN A 546 -2.308 9.819 3.201 1.00 0.00 N ATOM 274 CA GLN A 546 -2.115 11.065 3.922 1.00 0.00 C ATOM 275 C GLN A 546 -2.462 12.256 3.026 1.00 0.00 C ATOM 276 O GLN A 546 -3.049 13.234 3.487 1.00 0.00 O ATOM 277 CB GLN A 546 -0.683 11.176 4.450 1.00 0.00 C ATOM 278 CG GLN A 546 -0.453 12.527 5.130 1.00 0.00 C ATOM 279 CD GLN A 546 -0.548 13.673 4.121 1.00 0.00 C ATOM 280 OE1 GLN A 546 -1.119 14.719 4.382 1.00 0.00 O ATOM 281 NE2 GLN A 546 0.041 13.418 2.956 1.00 0.00 N ATOM 0 H GLN A 546 -1.582 9.605 2.517 1.00 0.00 H new ATOM 0 HA GLN A 546 -2.786 11.073 4.781 1.00 0.00 H new ATOM 0 HB2 GLN A 546 -0.489 10.371 5.158 1.00 0.00 H new ATOM 0 HB3 GLN A 546 0.022 11.054 3.628 1.00 0.00 H new ATOM 0 HG2 GLN A 546 -1.191 12.671 5.919 1.00 0.00 H new ATOM 0 HG3 GLN A 546 0.528 12.537 5.605 1.00 0.00 H new ATOM 0 HE21 GLN A 546 0.502 12.521 2.803 1.00 0.00 H new ATOM 0 HE22 GLN A 546 0.032 14.120 2.216 1.00 0.00 H new ATOM 290 N LEU A 547 -2.086 12.134 1.762 1.00 0.00 N ATOM 291 CA LEU A 547 -2.351 13.188 0.797 1.00 0.00 C ATOM 292 C LEU A 547 -1.247 13.194 -0.262 1.00 0.00 C ATOM 293 O LEU A 547 -1.439 13.711 -1.361 1.00 0.00 O ATOM 294 CB LEU A 547 -2.528 14.532 1.507 1.00 0.00 C ATOM 295 CG LEU A 547 -2.284 15.779 0.654 1.00 0.00 C ATOM 296 CD1 LEU A 547 -3.507 16.101 -0.208 1.00 0.00 C ATOM 297 CD2 LEU A 547 -1.869 16.966 1.525 1.00 0.00 C ATOM 0 H LEU A 547 -1.600 11.321 1.383 1.00 0.00 H new ATOM 0 HA LEU A 547 -3.291 13.001 0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 547 -3.542 14.580 1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 547 -1.850 14.562 2.360 1.00 0.00 H new ATOM 0 HG LEU A 547 -1.456 15.572 -0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 547 -3.308 16.991 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 547 -3.717 15.261 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 547 -4.368 16.281 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 547 -1.702 17.839 0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 547 -2.659 17.184 2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 547 -0.950 16.722 2.058 1.00 0.00 H new ATOM 309 N THR A 548 -0.115 12.612 0.106 1.00 0.00 N ATOM 310 CA THR A 548 1.020 12.543 -0.799 1.00 0.00 C ATOM 311 C THR A 548 1.812 11.255 -0.564 1.00 0.00 C ATOM 312 O THR A 548 1.744 10.668 0.514 1.00 0.00 O ATOM 313 CB THR A 548 1.854 13.812 -0.608 1.00 0.00 C ATOM 314 OG1 THR A 548 2.500 13.618 0.647 1.00 0.00 O ATOM 315 CG2 THR A 548 0.989 15.055 -0.394 1.00 0.00 C ATOM 0 H THR A 548 0.041 12.184 1.019 1.00 0.00 H new ATOM 0 HA THR A 548 0.695 12.503 -1.839 1.00 0.00 H new ATOM 0 HB THR A 548 2.493 13.960 -1.479 1.00 0.00 H new ATOM 0 HG1 THR A 548 3.063 14.394 0.848 1.00 0.00 H new ATOM 0 HG21 THR A 548 1.630 15.927 -0.264 1.00 0.00 H new ATOM 0 HG22 THR A 548 0.346 15.204 -1.261 1.00 0.00 H new ATOM 0 HG23 THR A 548 0.374 14.921 0.496 1.00 0.00 H new ATOM 323 N ALA A 549 2.544 10.853 -1.593 1.00 0.00 N ATOM 324 CA ALA A 549 3.348 9.645 -1.513 1.00 0.00 C ATOM 325 C ALA A 549 4.710 9.984 -0.904 1.00 0.00 C ATOM 326 O ALA A 549 5.519 9.092 -0.650 1.00 0.00 O ATOM 327 CB ALA A 549 3.469 9.019 -2.903 1.00 0.00 C ATOM 0 H ALA A 549 2.597 11.342 -2.486 1.00 0.00 H new ATOM 0 HA ALA A 549 2.872 8.909 -0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 549 4.072 8.113 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 549 2.476 8.770 -3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 549 3.945 9.727 -3.581 1.00 0.00 H new ATOM 333 N ASP A 550 4.922 11.274 -0.688 1.00 0.00 N ATOM 334 CA ASP A 550 6.173 11.741 -0.115 1.00 0.00 C ATOM 335 C ASP A 550 6.332 11.161 1.292 1.00 0.00 C ATOM 336 O ASP A 550 7.416 10.718 1.666 1.00 0.00 O ATOM 337 CB ASP A 550 6.192 13.266 -0.003 1.00 0.00 C ATOM 338 CG ASP A 550 7.534 13.923 -0.332 1.00 0.00 C ATOM 339 OD1 ASP A 550 8.566 13.305 0.007 1.00 0.00 O ATOM 340 OD2 ASP A 550 7.497 15.027 -0.915 1.00 0.00 O ATOM 0 H ASP A 550 4.249 12.010 -0.899 1.00 0.00 H new ATOM 0 HA ASP A 550 6.984 11.418 -0.767 1.00 0.00 H new ATOM 0 HB2 ASP A 550 5.432 13.674 -0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 550 5.908 13.544 1.012 1.00 0.00 H new ATOM 345 N GLN A 551 5.234 11.184 2.034 1.00 0.00 N ATOM 346 CA GLN A 551 5.238 10.666 3.392 1.00 0.00 C ATOM 347 C GLN A 551 5.485 9.156 3.383 1.00 0.00 C ATOM 348 O GLN A 551 6.275 8.649 4.178 1.00 0.00 O ATOM 349 CB GLN A 551 3.930 11.004 4.111 1.00 0.00 C ATOM 350 CG GLN A 551 3.507 12.447 3.830 1.00 0.00 C ATOM 351 CD GLN A 551 3.458 13.265 5.123 1.00 0.00 C ATOM 352 OE1 GLN A 551 4.250 13.084 6.033 1.00 0.00 O ATOM 353 NE2 GLN A 551 2.486 14.172 5.152 1.00 0.00 N ATOM 0 H GLN A 551 4.336 11.553 1.721 1.00 0.00 H new ATOM 0 HA GLN A 551 6.050 11.144 3.941 1.00 0.00 H new ATOM 0 HB2 GLN A 551 3.145 10.321 3.786 1.00 0.00 H new ATOM 0 HB3 GLN A 551 4.053 10.860 5.184 1.00 0.00 H new ATOM 0 HG2 GLN A 551 4.207 12.906 3.131 1.00 0.00 H new ATOM 0 HG3 GLN A 551 2.527 12.456 3.352 1.00 0.00 H new ATOM 0 HE21 GLN A 551 1.857 14.271 4.355 1.00 0.00 H new ATOM 0 HE22 GLN A 551 2.369 14.768 5.971 1.00 0.00 H new ATOM 362 N ILE A 552 4.794 8.481 2.476 1.00 0.00 N ATOM 363 CA ILE A 552 4.929 7.039 2.354 1.00 0.00 C ATOM 364 C ILE A 552 6.265 6.711 1.685 1.00 0.00 C ATOM 365 O ILE A 552 6.784 5.606 1.836 1.00 0.00 O ATOM 366 CB ILE A 552 3.717 6.447 1.632 1.00 0.00 C ATOM 367 CG1 ILE A 552 2.439 6.652 2.448 1.00 0.00 C ATOM 368 CG2 ILE A 552 3.948 4.974 1.290 1.00 0.00 C ATOM 369 CD1 ILE A 552 2.036 5.364 3.169 1.00 0.00 C ATOM 0 H ILE A 552 4.139 8.906 1.819 1.00 0.00 H new ATOM 0 HA ILE A 552 4.943 6.573 3.339 1.00 0.00 H new ATOM 0 HB ILE A 552 3.587 6.980 0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 552 2.592 7.448 3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 552 1.631 6.973 1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 552 3.071 4.578 0.777 1.00 0.00 H new ATOM 0 HG22 ILE A 552 4.819 4.883 0.641 1.00 0.00 H new ATOM 0 HG23 ILE A 552 4.118 4.410 2.207 1.00 0.00 H new ATOM 0 HD11 ILE A 552 1.125 5.537 3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 552 1.860 4.577 2.436 1.00 0.00 H new ATOM 0 HD13 ILE A 552 2.836 5.059 3.844 1.00 0.00 H new ATOM 381 N ALA A 553 6.782 7.691 0.958 1.00 0.00 N ATOM 382 CA ALA A 553 8.048 7.520 0.265 1.00 0.00 C ATOM 383 C ALA A 553 9.116 7.073 1.264 1.00 0.00 C ATOM 384 O ALA A 553 10.132 6.497 0.877 1.00 0.00 O ATOM 385 CB ALA A 553 8.422 8.823 -0.444 1.00 0.00 C ATOM 0 H ALA A 553 6.348 8.605 0.834 1.00 0.00 H new ATOM 0 HA ALA A 553 7.966 6.746 -0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 553 9.371 8.695 -0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 553 7.646 9.081 -1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 553 8.516 9.623 0.290 1.00 0.00 H new ATOM 391 N MET A 554 8.850 7.354 2.531 1.00 0.00 N ATOM 392 CA MET A 554 9.776 6.988 3.590 1.00 0.00 C ATOM 393 C MET A 554 9.730 5.484 3.863 1.00 0.00 C ATOM 394 O MET A 554 10.621 4.939 4.512 1.00 0.00 O ATOM 395 CB MET A 554 9.419 7.750 4.867 1.00 0.00 C ATOM 396 CG MET A 554 9.978 9.174 4.831 1.00 0.00 C ATOM 397 SD MET A 554 11.235 9.368 6.083 1.00 0.00 S ATOM 398 CE MET A 554 12.532 10.112 5.107 1.00 0.00 C ATOM 0 H MET A 554 8.006 7.831 2.849 1.00 0.00 H new ATOM 0 HA MET A 554 10.785 7.249 3.271 1.00 0.00 H new ATOM 0 HB2 MET A 554 8.336 7.784 4.984 1.00 0.00 H new ATOM 0 HB3 MET A 554 9.817 7.221 5.733 1.00 0.00 H new ATOM 0 HG2 MET A 554 10.398 9.384 3.847 1.00 0.00 H new ATOM 0 HG3 MET A 554 9.175 9.893 4.995 1.00 0.00 H new ATOM 0 HE1 MET A 554 13.400 10.302 5.739 1.00 0.00 H new ATOM 0 HE2 MET A 554 12.812 9.436 4.299 1.00 0.00 H new ATOM 0 HE3 MET A 554 12.177 11.053 4.687 1.00 0.00 H new ATOM 408 N LEU A 555 8.681 4.854 3.353 1.00 0.00 N ATOM 409 CA LEU A 555 8.507 3.423 3.534 1.00 0.00 C ATOM 410 C LEU A 555 9.151 2.683 2.360 1.00 0.00 C ATOM 411 O LEU A 555 9.244 3.221 1.258 1.00 0.00 O ATOM 412 CB LEU A 555 7.029 3.085 3.737 1.00 0.00 C ATOM 413 CG LEU A 555 6.323 3.822 4.878 1.00 0.00 C ATOM 414 CD1 LEU A 555 4.873 3.354 5.019 1.00 0.00 C ATOM 415 CD2 LEU A 555 7.101 3.679 6.187 1.00 0.00 C ATOM 0 H LEU A 555 7.943 5.309 2.815 1.00 0.00 H new ATOM 0 HA LEU A 555 9.014 3.089 4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 555 6.497 3.298 2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 555 6.943 2.013 3.915 1.00 0.00 H new ATOM 0 HG LEU A 555 6.296 4.884 4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 555 4.394 3.893 5.837 1.00 0.00 H new ATOM 0 HD12 LEU A 555 4.336 3.550 4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 555 4.855 2.285 5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 555 6.578 4.212 6.981 1.00 0.00 H new ATOM 0 HD22 LEU A 555 7.181 2.624 6.449 1.00 0.00 H new ATOM 0 HD23 LEU A 555 8.099 4.099 6.065 1.00 0.00 H new ATOM 427 N PRO A 556 9.590 1.427 2.643 1.00 0.00 N ATOM 428 CA PRO A 556 10.223 0.608 1.624 1.00 0.00 C ATOM 429 C PRO A 556 9.187 0.060 0.640 1.00 0.00 C ATOM 430 O PRO A 556 7.984 0.204 0.855 1.00 0.00 O ATOM 431 CB PRO A 556 10.948 -0.485 2.391 1.00 0.00 C ATOM 432 CG PRO A 556 10.318 -0.512 3.774 1.00 0.00 C ATOM 433 CD PRO A 556 9.497 0.757 3.937 1.00 0.00 C ATOM 0 HA PRO A 556 10.921 1.172 1.005 1.00 0.00 H new ATOM 0 HB2 PRO A 556 10.840 -1.449 1.894 1.00 0.00 H new ATOM 0 HB3 PRO A 556 12.016 -0.276 2.452 1.00 0.00 H new ATOM 0 HG2 PRO A 556 9.686 -1.393 3.889 1.00 0.00 H new ATOM 0 HG3 PRO A 556 11.088 -0.570 4.543 1.00 0.00 H new ATOM 0 HD2 PRO A 556 8.462 0.529 4.191 1.00 0.00 H new ATOM 0 HD3 PRO A 556 9.891 1.384 4.737 1.00 0.00 H new ATOM 441 N PRO A 557 9.705 -0.572 -0.447 1.00 0.00 N ATOM 442 CA PRO A 557 8.838 -1.142 -1.465 1.00 0.00 C ATOM 443 C PRO A 557 8.195 -2.440 -0.973 1.00 0.00 C ATOM 444 O PRO A 557 7.049 -2.735 -1.309 1.00 0.00 O ATOM 445 CB PRO A 557 9.734 -1.345 -2.676 1.00 0.00 C ATOM 446 CG PRO A 557 11.160 -1.318 -2.149 1.00 0.00 C ATOM 447 CD PRO A 557 11.124 -0.761 -0.735 1.00 0.00 C ATOM 0 HA PRO A 557 7.997 -0.494 -1.712 1.00 0.00 H new ATOM 0 HB2 PRO A 557 9.517 -2.293 -3.168 1.00 0.00 H new ATOM 0 HB3 PRO A 557 9.576 -0.559 -3.415 1.00 0.00 H new ATOM 0 HG2 PRO A 557 11.588 -2.321 -2.154 1.00 0.00 H new ATOM 0 HG3 PRO A 557 11.791 -0.699 -2.787 1.00 0.00 H new ATOM 0 HD2 PRO A 557 11.584 -1.450 -0.026 1.00 0.00 H new ATOM 0 HD3 PRO A 557 11.671 0.179 -0.666 1.00 0.00 H new ATOM 455 N GLU A 558 8.961 -3.181 -0.186 1.00 0.00 N ATOM 456 CA GLU A 558 8.479 -4.441 0.355 1.00 0.00 C ATOM 457 C GLU A 558 7.452 -4.186 1.460 1.00 0.00 C ATOM 458 O GLU A 558 6.896 -5.127 2.025 1.00 0.00 O ATOM 459 CB GLU A 558 9.639 -5.294 0.872 1.00 0.00 C ATOM 460 CG GLU A 558 9.215 -6.755 1.035 1.00 0.00 C ATOM 461 CD GLU A 558 10.150 -7.494 1.995 1.00 0.00 C ATOM 462 OE1 GLU A 558 10.030 -7.238 3.213 1.00 0.00 O ATOM 463 OE2 GLU A 558 10.963 -8.297 1.490 1.00 0.00 O ATOM 0 H GLU A 558 9.911 -2.934 0.090 1.00 0.00 H new ATOM 0 HA GLU A 558 7.991 -4.996 -0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 558 10.479 -5.230 0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 558 9.984 -4.903 1.829 1.00 0.00 H new ATOM 0 HG2 GLU A 558 8.193 -6.801 1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 558 9.221 -7.249 0.064 1.00 0.00 H new ATOM 470 N GLN A 559 7.231 -2.909 1.736 1.00 0.00 N ATOM 471 CA GLN A 559 6.280 -2.519 2.763 1.00 0.00 C ATOM 472 C GLN A 559 5.160 -1.672 2.155 1.00 0.00 C ATOM 473 O GLN A 559 4.005 -1.777 2.565 1.00 0.00 O ATOM 474 CB GLN A 559 6.978 -1.770 3.900 1.00 0.00 C ATOM 475 CG GLN A 559 7.537 -2.746 4.937 1.00 0.00 C ATOM 476 CD GLN A 559 7.047 -2.393 6.343 1.00 0.00 C ATOM 477 OE1 GLN A 559 7.483 -1.433 6.957 1.00 0.00 O ATOM 478 NE2 GLN A 559 6.118 -3.219 6.815 1.00 0.00 N ATOM 0 H GLN A 559 7.694 -2.131 1.266 1.00 0.00 H new ATOM 0 HA GLN A 559 5.838 -3.422 3.184 1.00 0.00 H new ATOM 0 HB2 GLN A 559 7.786 -1.160 3.496 1.00 0.00 H new ATOM 0 HB3 GLN A 559 6.274 -1.089 4.378 1.00 0.00 H new ATOM 0 HG2 GLN A 559 7.232 -3.762 4.686 1.00 0.00 H new ATOM 0 HG3 GLN A 559 8.626 -2.724 4.912 1.00 0.00 H new ATOM 0 HE21 GLN A 559 5.798 -4.004 6.248 1.00 0.00 H new ATOM 0 HE22 GLN A 559 5.726 -3.068 7.744 1.00 0.00 H new ATOM 487 N ARG A 560 5.541 -0.851 1.187 1.00 0.00 N ATOM 488 CA ARG A 560 4.584 0.014 0.519 1.00 0.00 C ATOM 489 C ARG A 560 3.277 -0.740 0.263 1.00 0.00 C ATOM 490 O ARG A 560 2.207 -0.289 0.669 1.00 0.00 O ATOM 491 CB ARG A 560 5.138 0.526 -0.812 1.00 0.00 C ATOM 492 CG ARG A 560 6.268 1.532 -0.584 1.00 0.00 C ATOM 493 CD ARG A 560 5.963 2.865 -1.270 1.00 0.00 C ATOM 494 NE ARG A 560 5.542 2.628 -2.669 1.00 0.00 N ATOM 495 CZ ARG A 560 5.088 3.586 -3.489 1.00 0.00 C ATOM 496 NH1 ARG A 560 4.994 4.850 -3.055 1.00 0.00 N ATOM 497 NH2 ARG A 560 4.729 3.280 -4.743 1.00 0.00 N ATOM 0 H ARG A 560 6.500 -0.767 0.849 1.00 0.00 H new ATOM 0 HA ARG A 560 4.395 0.866 1.172 1.00 0.00 H new ATOM 0 HB2 ARG A 560 5.506 -0.312 -1.403 1.00 0.00 H new ATOM 0 HB3 ARG A 560 4.339 0.995 -1.386 1.00 0.00 H new ATOM 0 HG2 ARG A 560 6.406 1.693 0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 560 7.204 1.127 -0.969 1.00 0.00 H new ATOM 0 HD2 ARG A 560 5.176 3.391 -0.729 1.00 0.00 H new ATOM 0 HD3 ARG A 560 6.846 3.504 -1.250 1.00 0.00 H new ATOM 0 HE ARG A 560 5.601 1.676 -3.032 1.00 0.00 H new ATOM 0 HH11 ARG A 560 5.268 5.083 -2.101 1.00 0.00 H new ATOM 0 HH12 ARG A 560 4.649 5.579 -3.679 1.00 0.00 H new ATOM 0 HH21 ARG A 560 4.801 2.318 -5.074 1.00 0.00 H new ATOM 0 HH22 ARG A 560 4.383 4.009 -5.367 1.00 0.00 H new ATOM 511 N GLN A 561 3.407 -1.874 -0.409 1.00 0.00 N ATOM 512 CA GLN A 561 2.250 -2.694 -0.725 1.00 0.00 C ATOM 513 C GLN A 561 1.363 -2.857 0.511 1.00 0.00 C ATOM 514 O GLN A 561 0.147 -3.004 0.392 1.00 0.00 O ATOM 515 CB GLN A 561 2.677 -4.056 -1.276 1.00 0.00 C ATOM 516 CG GLN A 561 1.535 -4.716 -2.051 1.00 0.00 C ATOM 517 CD GLN A 561 1.480 -6.220 -1.771 1.00 0.00 C ATOM 518 OE1 GLN A 561 1.547 -7.047 -2.666 1.00 0.00 O ATOM 519 NE2 GLN A 561 1.355 -6.526 -0.483 1.00 0.00 N ATOM 0 H GLN A 561 4.296 -2.245 -0.744 1.00 0.00 H new ATOM 0 HA GLN A 561 1.672 -2.190 -1.500 1.00 0.00 H new ATOM 0 HB2 GLN A 561 3.541 -3.934 -1.929 1.00 0.00 H new ATOM 0 HB3 GLN A 561 2.986 -4.703 -0.456 1.00 0.00 H new ATOM 0 HG2 GLN A 561 0.587 -4.256 -1.772 1.00 0.00 H new ATOM 0 HG3 GLN A 561 1.670 -4.546 -3.119 1.00 0.00 H new ATOM 0 HE21 GLN A 561 1.305 -5.784 0.215 1.00 0.00 H new ATOM 0 HE22 GLN A 561 1.310 -7.503 -0.193 1.00 0.00 H new ATOM 528 N SER A 562 2.004 -2.827 1.670 1.00 0.00 N ATOM 529 CA SER A 562 1.288 -2.969 2.926 1.00 0.00 C ATOM 530 C SER A 562 -0.007 -2.156 2.885 1.00 0.00 C ATOM 531 O SER A 562 -1.051 -2.622 3.340 1.00 0.00 O ATOM 532 CB SER A 562 2.155 -2.528 4.107 1.00 0.00 C ATOM 533 OG SER A 562 2.355 -1.117 4.125 1.00 0.00 O ATOM 0 H SER A 562 3.012 -2.706 1.766 1.00 0.00 H new ATOM 0 HA SER A 562 1.044 -4.022 3.063 1.00 0.00 H new ATOM 0 HB2 SER A 562 1.683 -2.839 5.039 1.00 0.00 H new ATOM 0 HB3 SER A 562 3.121 -3.030 4.055 1.00 0.00 H new ATOM 0 HG SER A 562 2.888 -0.852 3.346 1.00 0.00 H new ATOM 539 N ILE A 563 0.103 -0.955 2.336 1.00 0.00 N ATOM 540 CA ILE A 563 -1.047 -0.073 2.230 1.00 0.00 C ATOM 541 C ILE A 563 -2.139 -0.762 1.408 1.00 0.00 C ATOM 542 O ILE A 563 -3.316 -0.702 1.760 1.00 0.00 O ATOM 543 CB ILE A 563 -0.627 1.289 1.675 1.00 0.00 C ATOM 544 CG1 ILE A 563 0.421 1.948 2.574 1.00 0.00 C ATOM 545 CG2 ILE A 563 -1.844 2.191 1.457 1.00 0.00 C ATOM 546 CD1 ILE A 563 0.054 1.790 4.051 1.00 0.00 C ATOM 0 H ILE A 563 0.970 -0.572 1.960 1.00 0.00 H new ATOM 0 HA ILE A 563 -1.467 0.126 3.216 1.00 0.00 H new ATOM 0 HB ILE A 563 -0.163 1.133 0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 563 1.398 1.501 2.388 1.00 0.00 H new ATOM 0 HG13 ILE A 563 0.503 3.007 2.327 1.00 0.00 H new ATOM 0 HG21 ILE A 563 -1.518 3.153 1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 563 -2.524 1.719 0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 563 -2.358 2.344 2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 563 0.815 2.267 4.668 1.00 0.00 H new ATOM 0 HD12 ILE A 563 -0.912 2.260 4.238 1.00 0.00 H new ATOM 0 HD13 ILE A 563 -0.003 0.730 4.300 1.00 0.00 H new ATOM 558 N LEU A 564 -1.709 -1.400 0.329 1.00 0.00 N ATOM 559 CA LEU A 564 -2.636 -2.099 -0.545 1.00 0.00 C ATOM 560 C LEU A 564 -3.330 -3.213 0.241 1.00 0.00 C ATOM 561 O LEU A 564 -4.524 -3.449 0.066 1.00 0.00 O ATOM 562 CB LEU A 564 -1.917 -2.591 -1.803 1.00 0.00 C ATOM 563 CG LEU A 564 -2.617 -3.706 -2.583 1.00 0.00 C ATOM 564 CD1 LEU A 564 -2.122 -3.757 -4.030 1.00 0.00 C ATOM 565 CD2 LEU A 564 -2.460 -5.053 -1.874 1.00 0.00 C ATOM 0 H LEU A 564 -0.732 -1.447 0.040 1.00 0.00 H new ATOM 0 HA LEU A 564 -3.415 -1.422 -0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 564 -1.774 -1.742 -2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 564 -0.926 -2.942 -1.517 1.00 0.00 H new ATOM 0 HG LEU A 564 -3.683 -3.483 -2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 564 -2.635 -4.558 -4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 564 -2.329 -2.805 -4.519 1.00 0.00 H new ATOM 0 HD13 LEU A 564 -1.048 -3.944 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 564 -2.967 -5.828 -2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 564 -1.401 -5.298 -1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 564 -2.900 -4.994 -0.879 1.00 0.00 H new ATOM 577 N ILE A 565 -2.553 -3.867 1.091 1.00 0.00 N ATOM 578 CA ILE A 565 -3.078 -4.950 1.905 1.00 0.00 C ATOM 579 C ILE A 565 -4.108 -4.390 2.888 1.00 0.00 C ATOM 580 O ILE A 565 -5.200 -4.940 3.029 1.00 0.00 O ATOM 581 CB ILE A 565 -1.938 -5.716 2.579 1.00 0.00 C ATOM 582 CG1 ILE A 565 -0.994 -6.322 1.539 1.00 0.00 C ATOM 583 CG2 ILE A 565 -2.482 -6.772 3.543 1.00 0.00 C ATOM 584 CD1 ILE A 565 0.179 -7.036 2.213 1.00 0.00 C ATOM 0 H ILE A 565 -1.563 -3.668 1.234 1.00 0.00 H new ATOM 0 HA ILE A 565 -3.595 -5.679 1.281 1.00 0.00 H new ATOM 0 HB ILE A 565 -1.355 -5.010 3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 565 -1.541 -7.026 0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 565 -0.618 -5.537 0.883 1.00 0.00 H new ATOM 0 HG21 ILE A 565 -1.651 -7.302 4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 565 -3.081 -6.287 4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 565 -3.102 -7.481 2.994 1.00 0.00 H new ATOM 0 HD11 ILE A 565 0.835 -7.458 1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 565 0.739 -6.324 2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 565 -0.199 -7.836 2.849 1.00 0.00 H new ATOM 596 N LEU A 566 -3.725 -3.304 3.542 1.00 0.00 N ATOM 597 CA LEU A 566 -4.602 -2.663 4.508 1.00 0.00 C ATOM 598 C LEU A 566 -5.813 -2.076 3.780 1.00 0.00 C ATOM 599 O LEU A 566 -6.919 -2.064 4.317 1.00 0.00 O ATOM 600 CB LEU A 566 -3.827 -1.638 5.338 1.00 0.00 C ATOM 601 CG LEU A 566 -3.944 -1.779 6.857 1.00 0.00 C ATOM 602 CD1 LEU A 566 -5.392 -1.597 7.315 1.00 0.00 C ATOM 603 CD2 LEU A 566 -3.355 -3.109 7.331 1.00 0.00 C ATOM 0 H LEU A 566 -2.819 -2.851 3.422 1.00 0.00 H new ATOM 0 HA LEU A 566 -4.982 -3.394 5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -2.773 -1.703 5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -4.168 -0.641 5.058 1.00 0.00 H new ATOM 0 HG LEU A 566 -3.358 -0.985 7.320 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -5.447 -1.702 8.399 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -5.742 -0.605 7.028 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -6.020 -2.354 6.845 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -3.451 -3.184 8.414 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -3.892 -3.933 6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -2.302 -3.159 7.056 1.00 0.00 H new ATOM 615 N LYS A 567 -5.563 -1.604 2.568 1.00 0.00 N ATOM 616 CA LYS A 567 -6.618 -1.017 1.760 1.00 0.00 C ATOM 617 C LYS A 567 -7.696 -2.070 1.494 1.00 0.00 C ATOM 618 O LYS A 567 -8.885 -1.753 1.467 1.00 0.00 O ATOM 619 CB LYS A 567 -6.038 -0.396 0.488 1.00 0.00 C ATOM 620 CG LYS A 567 -6.098 1.132 0.547 1.00 0.00 C ATOM 621 CD LYS A 567 -7.543 1.628 0.453 1.00 0.00 C ATOM 622 CE LYS A 567 -7.773 2.825 1.378 1.00 0.00 C ATOM 623 NZ LYS A 567 -9.195 3.234 1.352 1.00 0.00 N ATOM 0 H LYS A 567 -4.644 -1.616 2.125 1.00 0.00 H new ATOM 0 HA LYS A 567 -7.097 -0.198 2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 567 -5.005 -0.718 0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 567 -6.593 -0.752 -0.380 1.00 0.00 H new ATOM 0 HG2 LYS A 567 -5.650 1.482 1.477 1.00 0.00 H new ATOM 0 HG3 LYS A 567 -5.511 1.554 -0.269 1.00 0.00 H new ATOM 0 HD2 LYS A 567 -7.768 1.910 -0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 567 -8.226 0.821 0.719 1.00 0.00 H new ATOM 0 HE2 LYS A 567 -7.481 2.567 2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 567 -7.143 3.658 1.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 -9.348 4.003 2.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 -9.444 3.564 0.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 -9.794 2.422 1.605 1.00 0.00 H new ATOM 637 N GLU A 568 -7.243 -3.300 1.305 1.00 0.00 N ATOM 638 CA GLU A 568 -8.153 -4.401 1.042 1.00 0.00 C ATOM 639 C GLU A 568 -9.091 -4.610 2.233 1.00 0.00 C ATOM 640 O GLU A 568 -10.262 -4.942 2.054 1.00 0.00 O ATOM 641 CB GLU A 568 -7.384 -5.684 0.719 1.00 0.00 C ATOM 642 CG GLU A 568 -7.332 -5.926 -0.791 1.00 0.00 C ATOM 643 CD GLU A 568 -8.586 -6.659 -1.272 1.00 0.00 C ATOM 644 OE1 GLU A 568 -8.923 -7.683 -0.640 1.00 0.00 O ATOM 645 OE2 GLU A 568 -9.180 -6.178 -2.261 1.00 0.00 O ATOM 0 H GLU A 568 -6.257 -3.559 1.329 1.00 0.00 H new ATOM 0 HA GLU A 568 -8.755 -4.148 0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 568 -6.371 -5.615 1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 568 -7.861 -6.532 1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 568 -7.241 -4.973 -1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 568 -6.447 -6.511 -1.039 1.00 0.00 H new ATOM 652 N GLN A 569 -8.542 -4.407 3.421 1.00 0.00 N ATOM 653 CA GLN A 569 -9.315 -4.568 4.641 1.00 0.00 C ATOM 654 C GLN A 569 -10.395 -3.488 4.732 1.00 0.00 C ATOM 655 O GLN A 569 -11.514 -3.759 5.165 1.00 0.00 O ATOM 656 CB GLN A 569 -8.408 -4.542 5.872 1.00 0.00 C ATOM 657 CG GLN A 569 -7.549 -5.806 5.948 1.00 0.00 C ATOM 658 CD GLN A 569 -6.679 -5.803 7.206 1.00 0.00 C ATOM 659 OE1 GLN A 569 -7.161 -5.773 8.326 1.00 0.00 O ATOM 660 NE2 GLN A 569 -5.372 -5.837 6.960 1.00 0.00 N ATOM 0 H GLN A 569 -7.570 -4.132 3.565 1.00 0.00 H new ATOM 0 HA GLN A 569 -9.804 -5.541 4.612 1.00 0.00 H new ATOM 0 HB2 GLN A 569 -7.765 -3.663 5.836 1.00 0.00 H new ATOM 0 HB3 GLN A 569 -9.015 -4.456 6.773 1.00 0.00 H new ATOM 0 HG2 GLN A 569 -8.191 -6.687 5.948 1.00 0.00 H new ATOM 0 HG3 GLN A 569 -6.915 -5.873 5.064 1.00 0.00 H new ATOM 0 HE21 GLN A 569 -5.035 -5.861 5.998 1.00 0.00 H new ATOM 0 HE22 GLN A 569 -4.707 -5.839 7.734 1.00 0.00 H new ATOM 669 N ILE A 570 -10.021 -2.287 4.316 1.00 0.00 N ATOM 670 CA ILE A 570 -10.944 -1.164 4.346 1.00 0.00 C ATOM 671 C ILE A 570 -12.161 -1.488 3.477 1.00 0.00 C ATOM 672 O ILE A 570 -13.294 -1.195 3.856 1.00 0.00 O ATOM 673 CB ILE A 570 -10.229 0.128 3.946 1.00 0.00 C ATOM 674 CG1 ILE A 570 -9.065 0.426 4.893 1.00 0.00 C ATOM 675 CG2 ILE A 570 -11.213 1.296 3.861 1.00 0.00 C ATOM 676 CD1 ILE A 570 -8.331 1.702 4.475 1.00 0.00 C ATOM 0 H ILE A 570 -9.092 -2.067 3.957 1.00 0.00 H new ATOM 0 HA ILE A 570 -11.310 -0.998 5.359 1.00 0.00 H new ATOM 0 HB ILE A 570 -9.807 -0.009 2.951 1.00 0.00 H new ATOM 0 HG12 ILE A 570 -9.438 0.534 5.911 1.00 0.00 H new ATOM 0 HG13 ILE A 570 -8.370 -0.413 4.896 1.00 0.00 H new ATOM 0 HG21 ILE A 570 -10.679 2.202 3.575 1.00 0.00 H new ATOM 0 HG22 ILE A 570 -11.977 1.075 3.116 1.00 0.00 H new ATOM 0 HG23 ILE A 570 -11.686 1.445 4.832 1.00 0.00 H new ATOM 0 HD11 ILE A 570 -7.508 1.891 5.165 1.00 0.00 H new ATOM 0 HD12 ILE A 570 -7.938 1.582 3.465 1.00 0.00 H new ATOM 0 HD13 ILE A 570 -9.023 2.544 4.497 1.00 0.00 H new ATOM 688 N GLN A 571 -11.886 -2.087 2.328 1.00 0.00 N ATOM 689 CA GLN A 571 -12.944 -2.453 1.402 1.00 0.00 C ATOM 690 C GLN A 571 -13.849 -3.518 2.025 1.00 0.00 C ATOM 691 O GLN A 571 -15.068 -3.474 1.865 1.00 0.00 O ATOM 692 CB GLN A 571 -12.366 -2.935 0.070 1.00 0.00 C ATOM 693 CG GLN A 571 -12.612 -1.909 -1.038 1.00 0.00 C ATOM 694 CD GLN A 571 -11.437 -1.868 -2.018 1.00 0.00 C ATOM 695 OE1 GLN A 571 -11.467 -2.454 -3.087 1.00 0.00 O ATOM 696 NE2 GLN A 571 -10.404 -1.146 -1.595 1.00 0.00 N ATOM 0 H GLN A 571 -10.945 -2.328 2.017 1.00 0.00 H new ATOM 0 HA GLN A 571 -13.545 -1.567 1.199 1.00 0.00 H new ATOM 0 HB2 GLN A 571 -11.296 -3.111 0.176 1.00 0.00 H new ATOM 0 HB3 GLN A 571 -12.820 -3.887 -0.204 1.00 0.00 H new ATOM 0 HG2 GLN A 571 -13.528 -2.159 -1.573 1.00 0.00 H new ATOM 0 HG3 GLN A 571 -12.759 -0.922 -0.599 1.00 0.00 H new ATOM 0 HE21 GLN A 571 -10.444 -0.681 -0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 571 -9.571 -1.058 -2.177 1.00 0.00 H new ATOM 705 N LYS A 572 -13.217 -4.451 2.722 1.00 0.00 N ATOM 706 CA LYS A 572 -13.950 -5.526 3.369 1.00 0.00 C ATOM 707 C LYS A 572 -14.649 -6.374 2.305 1.00 0.00 C ATOM 708 O LYS A 572 -15.252 -5.837 1.376 1.00 0.00 O ATOM 709 CB LYS A 572 -14.899 -4.965 4.430 1.00 0.00 C ATOM 710 CG LYS A 572 -14.158 -4.695 5.741 1.00 0.00 C ATOM 711 CD LYS A 572 -15.060 -4.964 6.947 1.00 0.00 C ATOM 712 CE LYS A 572 -14.374 -4.548 8.249 1.00 0.00 C ATOM 713 NZ LYS A 572 -15.155 -5.012 9.418 1.00 0.00 N ATOM 0 H LYS A 572 -12.206 -4.485 2.853 1.00 0.00 H new ATOM 0 HA LYS A 572 -13.266 -6.185 3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 572 -15.351 -4.042 4.067 1.00 0.00 H new ATOM 0 HB3 LYS A 572 -15.711 -5.670 4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 572 -13.271 -5.326 5.798 1.00 0.00 H new ATOM 0 HG3 LYS A 572 -13.815 -3.661 5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 572 -15.996 -4.417 6.834 1.00 0.00 H new ATOM 0 HD3 LYS A 572 -15.313 -6.024 6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 572 -13.368 -4.967 8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 572 -14.269 -3.464 8.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 572 -14.675 -4.721 10.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 572 -16.106 -4.593 9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 572 -15.233 -6.049 9.394 1.00 0.00 H new ATOM 727 N SER A 573 -14.547 -7.684 2.476 1.00 0.00 N ATOM 728 CA SER A 573 -15.162 -8.611 1.541 1.00 0.00 C ATOM 729 C SER A 573 -16.539 -8.093 1.121 1.00 0.00 C ATOM 730 O SER A 573 -17.330 -7.669 1.962 1.00 0.00 O ATOM 731 CB SER A 573 -15.284 -10.008 2.152 1.00 0.00 C ATOM 732 OG SER A 573 -14.641 -10.998 1.354 1.00 0.00 O ATOM 0 H SER A 573 -14.048 -8.125 3.248 1.00 0.00 H new ATOM 0 HA SER A 573 -14.524 -8.683 0.660 1.00 0.00 H new ATOM 0 HB2 SER A 573 -14.846 -10.007 3.150 1.00 0.00 H new ATOM 0 HB3 SER A 573 -16.338 -10.263 2.266 1.00 0.00 H new ATOM 0 HG SER A 573 -14.740 -11.876 1.779 1.00 0.00 H new ATOM 738 N THR A 574 -16.783 -8.145 -0.180 1.00 0.00 N ATOM 739 CA THR A 574 -18.051 -7.686 -0.723 1.00 0.00 C ATOM 740 C THR A 574 -18.256 -8.235 -2.136 1.00 0.00 C ATOM 741 O THR A 574 -18.546 -7.481 -3.063 1.00 0.00 O ATOM 742 CB THR A 574 -18.068 -6.158 -0.656 1.00 0.00 C ATOM 743 OG1 THR A 574 -19.202 -5.789 -1.437 1.00 0.00 O ATOM 744 CG2 THR A 574 -16.887 -5.526 -1.395 1.00 0.00 C ATOM 0 H THR A 574 -16.124 -8.498 -0.874 1.00 0.00 H new ATOM 0 HA THR A 574 -18.891 -8.061 -0.138 1.00 0.00 H new ATOM 0 HB THR A 574 -18.056 -5.841 0.387 1.00 0.00 H new ATOM 0 HG1 THR A 574 -19.039 -6.014 -2.377 1.00 0.00 H new ATOM 0 HG21 THR A 574 -16.947 -4.441 -1.316 1.00 0.00 H new ATOM 0 HG22 THR A 574 -15.953 -5.871 -0.951 1.00 0.00 H new ATOM 0 HG23 THR A 574 -16.918 -5.816 -2.445 1.00 0.00 H new ATOM 752 N GLY A 575 -18.097 -9.545 -2.256 1.00 0.00 N ATOM 753 CA GLY A 575 -18.261 -10.204 -3.541 1.00 0.00 C ATOM 754 C GLY A 575 -16.904 -10.523 -4.171 1.00 0.00 C ATOM 755 O GLY A 575 -16.597 -10.052 -5.265 1.00 0.00 O ATOM 0 H GLY A 575 -17.856 -10.168 -1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 575 -18.831 -11.124 -3.412 1.00 0.00 H new ATOM 0 HA3 GLY A 575 -18.836 -9.564 -4.211 1.00 0.00 H new ATOM 759 N ALA A 576 -16.127 -11.321 -3.453 1.00 0.00 N ATOM 760 CA ALA A 576 -14.810 -11.709 -3.929 1.00 0.00 C ATOM 761 C ALA A 576 -14.913 -13.040 -4.676 1.00 0.00 C ATOM 762 O ALA A 576 -15.902 -13.757 -4.539 1.00 0.00 O ATOM 763 CB ALA A 576 -13.840 -11.777 -2.747 1.00 0.00 C ATOM 0 H ALA A 576 -16.384 -11.709 -2.546 1.00 0.00 H new ATOM 0 HA ALA A 576 -14.421 -10.969 -4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 576 -12.852 -12.068 -3.103 1.00 0.00 H new ATOM 0 HB2 ALA A 576 -13.780 -10.799 -2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 576 -14.197 -12.512 -2.026 1.00 0.00 H new ATOM 769 N PRO A 577 -13.850 -13.336 -5.471 1.00 0.00 N ATOM 770 CA PRO A 577 -13.811 -14.569 -6.240 1.00 0.00 C ATOM 771 C PRO A 577 -13.517 -15.769 -5.338 1.00 0.00 C ATOM 772 O PRO A 577 -12.387 -15.947 -4.885 1.00 0.00 O ATOM 773 CB PRO A 577 -12.741 -14.341 -7.295 1.00 0.00 C ATOM 774 CG PRO A 577 -11.900 -13.179 -6.791 1.00 0.00 C ATOM 775 CD PRO A 577 -12.661 -12.510 -5.657 1.00 0.00 C ATOM 0 HA PRO A 577 -14.767 -14.804 -6.707 1.00 0.00 H new ATOM 0 HB2 PRO A 577 -12.131 -15.234 -7.432 1.00 0.00 H new ATOM 0 HB3 PRO A 577 -13.188 -14.109 -8.261 1.00 0.00 H new ATOM 0 HG2 PRO A 577 -10.930 -13.533 -6.443 1.00 0.00 H new ATOM 0 HG3 PRO A 577 -11.710 -12.468 -7.595 1.00 0.00 H new ATOM 0 HD2 PRO A 577 -12.061 -12.469 -4.748 1.00 0.00 H new ATOM 0 HD3 PRO A 577 -12.927 -11.484 -5.910 1.00 0.00 H new TER 783 PRO A 577