USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 400 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 542 MET CE :methyl -161:sc= -5.33! (180deg=-5.48!) USER MOD Set 1.2: A 546 GLN : amide:sc= -16.5! C(o=-21!,f=-21!) USER MOD Set 1.3: A 548 THR OG1 : rot -4:sc= 0.332 USER MOD Set 2.1: A 531 THR OG1 : rot -140:sc= 0.316 USER MOD Set 2.2: A 533 GLN : amide:sc= -3.85! K(o=-3.5!,f=0.53) USER MOD Set 3.1: A 530 MET CE :methyl 159:sc= -1.43 (180deg=-1.89!) USER MOD Set 3.2: A 535 HIS : no HE2:sc= -6.66! C(o=-8.1!,f=-14!) USER MOD Single : A 529 HIS : no HD1:sc= -0.255 X(o=-0.25,f=-0.17) USER MOD Single : A 537 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 543 GLN : amide:sc= -4.5! C(o=-4.5!,f=-2.6!) USER MOD Single : A 551 GLN : amide:sc= -1.93! K(o=-1.9!,f=-0.86) 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= -8.65! C(o=-8.6!,f=-20!) USER MOD Single : A 562 SER OG : rot 180:sc= 0 USER MOD Single : A 567 LYS NZ :NH3+ 164:sc= -0.981 (180deg=-1.65) USER MOD Single : A 569 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 571 GLN : amide:sc= -0.809 K(o=-0.81,f=-3.4!) 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 7.849 -12.761 -8.862 1.00 0.00 N ATOM 2 CA HIS A 529 7.670 -11.918 -7.692 1.00 0.00 C ATOM 3 C HIS A 529 6.746 -10.749 -8.037 1.00 0.00 C ATOM 4 O HIS A 529 6.590 -10.401 -9.207 1.00 0.00 O ATOM 5 CB HIS A 529 9.022 -11.461 -7.140 1.00 0.00 C ATOM 6 CG HIS A 529 8.943 -10.814 -5.778 1.00 0.00 C ATOM 7 ND1 HIS A 529 8.994 -11.539 -4.600 1.00 0.00 N ATOM 8 CD2 HIS A 529 8.816 -9.504 -5.419 1.00 0.00 C ATOM 9 CE1 HIS A 529 8.901 -10.693 -3.584 1.00 0.00 C ATOM 10 NE2 HIS A 529 8.790 -9.433 -4.094 1.00 0.00 N ATOM 0 HA HIS A 529 7.192 -12.491 -6.897 1.00 0.00 H new ATOM 0 HB2 HIS A 529 9.689 -12.321 -7.084 1.00 0.00 H new ATOM 0 HB3 HIS A 529 9.469 -10.756 -7.840 1.00 0.00 H new ATOM 0 HD2 HIS A 529 8.748 -8.667 -6.098 1.00 0.00 H new ATOM 0 HE1 HIS A 529 8.911 -10.955 -2.536 1.00 0.00 H new ATOM 0 HE2 HIS A 529 8.702 -8.577 -3.547 1.00 0.00 H new ATOM 18 N MET A 530 6.155 -10.176 -6.999 1.00 0.00 N ATOM 19 CA MET A 530 5.250 -9.054 -7.178 1.00 0.00 C ATOM 20 C MET A 530 5.991 -7.834 -7.729 1.00 0.00 C ATOM 21 O MET A 530 6.837 -7.258 -7.048 1.00 0.00 O ATOM 22 CB MET A 530 4.607 -8.698 -5.836 1.00 0.00 C ATOM 23 CG MET A 530 3.782 -7.414 -5.947 1.00 0.00 C ATOM 24 SD MET A 530 2.949 -7.088 -4.402 1.00 0.00 S ATOM 25 CE MET A 530 4.221 -7.585 -3.253 1.00 0.00 C ATOM 0 H MET A 530 6.285 -10.468 -6.030 1.00 0.00 H new ATOM 0 HA MET A 530 4.481 -9.342 -7.895 1.00 0.00 H new ATOM 0 HB2 MET A 530 3.968 -9.517 -5.506 1.00 0.00 H new ATOM 0 HB3 MET A 530 5.382 -8.573 -5.079 1.00 0.00 H new ATOM 0 HG2 MET A 530 4.430 -6.576 -6.204 1.00 0.00 H new ATOM 0 HG3 MET A 530 3.052 -7.510 -6.750 1.00 0.00 H new ATOM 0 HE1 MET A 530 4.039 -7.118 -2.285 1.00 0.00 H new ATOM 0 HE2 MET A 530 4.207 -8.669 -3.142 1.00 0.00 H new ATOM 0 HE3 MET A 530 5.194 -7.271 -3.630 1.00 0.00 H new ATOM 35 N THR A 531 5.645 -7.478 -8.957 1.00 0.00 N ATOM 36 CA THR A 531 6.267 -6.337 -9.608 1.00 0.00 C ATOM 37 C THR A 531 6.270 -5.126 -8.673 1.00 0.00 C ATOM 38 O THR A 531 5.579 -5.121 -7.655 1.00 0.00 O ATOM 39 CB THR A 531 5.531 -6.085 -10.925 1.00 0.00 C ATOM 40 OG1 THR A 531 4.262 -5.577 -10.523 1.00 0.00 O ATOM 41 CG2 THR A 531 5.196 -7.381 -11.666 1.00 0.00 C ATOM 0 H THR A 531 4.942 -7.959 -9.518 1.00 0.00 H new ATOM 0 HA THR A 531 7.314 -6.535 -9.837 1.00 0.00 H new ATOM 0 HB THR A 531 6.142 -5.448 -11.565 1.00 0.00 H new ATOM 0 HG1 THR A 531 3.562 -5.955 -11.095 1.00 0.00 H new ATOM 0 HG21 THR A 531 4.674 -7.145 -12.594 1.00 0.00 H new ATOM 0 HG22 THR A 531 6.117 -7.918 -11.894 1.00 0.00 H new ATOM 0 HG23 THR A 531 4.558 -8.004 -11.039 1.00 0.00 H new ATOM 49 N PRO A 532 7.076 -4.102 -9.061 1.00 0.00 N ATOM 50 CA PRO A 532 7.179 -2.888 -8.269 1.00 0.00 C ATOM 51 C PRO A 532 5.932 -2.017 -8.438 1.00 0.00 C ATOM 52 O PRO A 532 5.697 -1.104 -7.648 1.00 0.00 O ATOM 53 CB PRO A 532 8.449 -2.208 -8.753 1.00 0.00 C ATOM 54 CG PRO A 532 8.760 -2.822 -10.108 1.00 0.00 C ATOM 55 CD PRO A 532 7.909 -4.073 -10.260 1.00 0.00 C ATOM 0 HA PRO A 532 7.234 -3.087 -7.199 1.00 0.00 H new ATOM 0 HB2 PRO A 532 8.308 -1.130 -8.836 1.00 0.00 H new ATOM 0 HB3 PRO A 532 9.269 -2.369 -8.054 1.00 0.00 H new ATOM 0 HG2 PRO A 532 8.543 -2.113 -10.907 1.00 0.00 H new ATOM 0 HG3 PRO A 532 9.819 -3.070 -10.181 1.00 0.00 H new ATOM 0 HD2 PRO A 532 7.301 -4.031 -11.164 1.00 0.00 H new ATOM 0 HD3 PRO A 532 8.528 -4.967 -10.334 1.00 0.00 H new ATOM 63 N GLN A 533 5.167 -2.329 -9.473 1.00 0.00 N ATOM 64 CA GLN A 533 3.951 -1.586 -9.756 1.00 0.00 C ATOM 65 C GLN A 533 2.888 -1.884 -8.696 1.00 0.00 C ATOM 66 O GLN A 533 2.169 -0.985 -8.264 1.00 0.00 O ATOM 67 CB GLN A 533 3.429 -1.901 -11.159 1.00 0.00 C ATOM 68 CG GLN A 533 4.510 -1.654 -12.214 1.00 0.00 C ATOM 69 CD GLN A 533 4.628 -2.845 -13.168 1.00 0.00 C ATOM 70 OE1 GLN A 533 4.703 -2.700 -14.377 1.00 0.00 O ATOM 71 NE2 GLN A 533 4.640 -4.027 -12.558 1.00 0.00 N ATOM 0 H GLN A 533 5.366 -3.087 -10.126 1.00 0.00 H new ATOM 0 HA GLN A 533 4.183 -0.522 -9.721 1.00 0.00 H new ATOM 0 HB2 GLN A 533 3.102 -2.940 -11.205 1.00 0.00 H new ATOM 0 HB3 GLN A 533 2.558 -1.283 -11.374 1.00 0.00 H new ATOM 0 HG2 GLN A 533 4.272 -0.753 -12.779 1.00 0.00 H new ATOM 0 HG3 GLN A 533 5.468 -1.480 -11.724 1.00 0.00 H new ATOM 0 HE21 GLN A 533 4.574 -4.077 -11.541 1.00 0.00 H new ATOM 0 HE22 GLN A 533 4.716 -4.883 -13.107 1.00 0.00 H new ATOM 80 N ASP A 534 2.823 -3.149 -8.309 1.00 0.00 N ATOM 81 CA ASP A 534 1.860 -3.577 -7.308 1.00 0.00 C ATOM 82 C ASP A 534 2.119 -2.823 -6.002 1.00 0.00 C ATOM 83 O ASP A 534 1.182 -2.464 -5.292 1.00 0.00 O ATOM 84 CB ASP A 534 1.990 -5.074 -7.023 1.00 0.00 C ATOM 85 CG ASP A 534 0.934 -5.646 -6.075 1.00 0.00 C ATOM 86 OD1 ASP A 534 0.352 -4.837 -5.320 1.00 0.00 O ATOM 87 OD2 ASP A 534 0.734 -6.879 -6.126 1.00 0.00 O ATOM 0 H ASP A 534 3.421 -3.892 -8.670 1.00 0.00 H new ATOM 0 HA ASP A 534 0.861 -3.368 -7.691 1.00 0.00 H new ATOM 0 HB2 ASP A 534 1.939 -5.614 -7.968 1.00 0.00 H new ATOM 0 HB3 ASP A 534 2.977 -5.264 -6.601 1.00 0.00 H new ATOM 92 N HIS A 535 3.397 -2.604 -5.726 1.00 0.00 N ATOM 93 CA HIS A 535 3.791 -1.899 -4.518 1.00 0.00 C ATOM 94 C HIS A 535 3.335 -0.442 -4.602 1.00 0.00 C ATOM 95 O HIS A 535 3.093 0.197 -3.579 1.00 0.00 O ATOM 96 CB HIS A 535 5.295 -2.037 -4.276 1.00 0.00 C ATOM 97 CG HIS A 535 5.850 -3.399 -4.615 1.00 0.00 C ATOM 98 ND1 HIS A 535 7.205 -3.641 -4.768 1.00 0.00 N ATOM 99 CD2 HIS A 535 5.221 -4.590 -4.828 1.00 0.00 C ATOM 100 CE1 HIS A 535 7.371 -4.922 -5.061 1.00 0.00 C ATOM 101 NE2 HIS A 535 6.140 -5.509 -5.098 1.00 0.00 N ATOM 0 H HIS A 535 4.172 -2.902 -6.318 1.00 0.00 H new ATOM 0 HA HIS A 535 3.300 -2.347 -3.654 1.00 0.00 H new ATOM 0 HB2 HIS A 535 5.818 -1.286 -4.868 1.00 0.00 H new ATOM 0 HB3 HIS A 535 5.505 -1.821 -3.228 1.00 0.00 H new ATOM 0 HD1 HIS A 535 7.949 -2.950 -4.671 1.00 0.00 H new ATOM 0 HD2 HIS A 535 4.155 -4.757 -4.784 1.00 0.00 H new ATOM 0 HE1 HIS A 535 8.315 -5.415 -5.239 1.00 0.00 H new ATOM 109 N GLU A 536 3.230 0.042 -5.832 1.00 0.00 N ATOM 110 CA GLU A 536 2.807 1.413 -6.063 1.00 0.00 C ATOM 111 C GLU A 536 1.291 1.535 -5.897 1.00 0.00 C ATOM 112 O GLU A 536 0.729 2.616 -6.071 1.00 0.00 O ATOM 113 CB GLU A 536 3.249 1.897 -7.446 1.00 0.00 C ATOM 114 CG GLU A 536 3.870 3.292 -7.365 1.00 0.00 C ATOM 115 CD GLU A 536 3.989 3.921 -8.755 1.00 0.00 C ATOM 116 OE1 GLU A 536 2.963 3.916 -9.469 1.00 0.00 O ATOM 117 OE2 GLU A 536 5.102 4.392 -9.072 1.00 0.00 O ATOM 0 H GLU A 536 3.431 -0.491 -6.678 1.00 0.00 H new ATOM 0 HA GLU A 536 3.286 2.051 -5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 536 3.971 1.197 -7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 536 2.393 1.915 -8.120 1.00 0.00 H new ATOM 0 HG2 GLU A 536 3.260 3.929 -6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 536 4.856 3.229 -6.905 1.00 0.00 H new ATOM 124 N LYS A 537 0.672 0.413 -5.563 1.00 0.00 N ATOM 125 CA LYS A 537 -0.769 0.381 -5.372 1.00 0.00 C ATOM 126 C LYS A 537 -1.137 1.239 -4.160 1.00 0.00 C ATOM 127 O LYS A 537 -2.271 1.702 -4.045 1.00 0.00 O ATOM 128 CB LYS A 537 -1.265 -1.063 -5.277 1.00 0.00 C ATOM 129 CG LYS A 537 -1.140 -1.776 -6.625 1.00 0.00 C ATOM 130 CD LYS A 537 -2.367 -1.512 -7.500 1.00 0.00 C ATOM 131 CE LYS A 537 -2.608 -2.670 -8.471 1.00 0.00 C ATOM 132 NZ LYS A 537 -3.920 -2.522 -9.139 1.00 0.00 N ATOM 0 H LYS A 537 1.141 -0.481 -5.420 1.00 0.00 H new ATOM 0 HA LYS A 537 -1.278 0.812 -6.234 1.00 0.00 H new ATOM 0 HB2 LYS A 537 -0.690 -1.600 -4.523 1.00 0.00 H new ATOM 0 HB3 LYS A 537 -2.305 -1.073 -4.951 1.00 0.00 H new ATOM 0 HG2 LYS A 537 -0.242 -1.434 -7.139 1.00 0.00 H new ATOM 0 HG3 LYS A 537 -1.027 -2.848 -6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 537 -3.245 -1.373 -6.869 1.00 0.00 H new ATOM 0 HD3 LYS A 537 -2.227 -0.587 -8.059 1.00 0.00 H new ATOM 0 HE2 LYS A 537 -1.814 -2.697 -9.218 1.00 0.00 H new ATOM 0 HE3 LYS A 537 -2.572 -3.617 -7.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 537 -4.067 -3.316 -9.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 537 -4.675 -2.518 -8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 537 -3.941 -1.627 -9.669 1.00 0.00 H new ATOM 146 N ALA A 538 -0.158 1.425 -3.287 1.00 0.00 N ATOM 147 CA ALA A 538 -0.365 2.219 -2.088 1.00 0.00 C ATOM 148 C ALA A 538 -0.523 3.690 -2.477 1.00 0.00 C ATOM 149 O ALA A 538 -1.259 4.432 -1.828 1.00 0.00 O ATOM 150 CB ALA A 538 0.797 1.993 -1.119 1.00 0.00 C ATOM 0 H ALA A 538 0.781 1.039 -3.386 1.00 0.00 H new ATOM 0 HA ALA A 538 -1.278 1.913 -1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 538 0.642 2.589 -0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 538 0.847 0.938 -0.851 1.00 0.00 H new ATOM 0 HB3 ALA A 538 1.731 2.291 -1.595 1.00 0.00 H new ATOM 156 N ALA A 539 0.180 4.068 -3.535 1.00 0.00 N ATOM 157 CA ALA A 539 0.127 5.438 -4.018 1.00 0.00 C ATOM 158 C ALA A 539 -1.326 5.815 -4.311 1.00 0.00 C ATOM 159 O ALA A 539 -1.728 6.959 -4.107 1.00 0.00 O ATOM 160 CB ALA A 539 1.026 5.580 -5.248 1.00 0.00 C ATOM 0 H ALA A 539 0.789 3.450 -4.071 1.00 0.00 H new ATOM 0 HA ALA A 539 0.500 6.127 -3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 539 0.987 6.607 -5.611 1.00 0.00 H new ATOM 0 HB2 ALA A 539 2.052 5.329 -4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 539 0.680 4.905 -6.031 1.00 0.00 H new ATOM 166 N LEU A 540 -2.075 4.830 -4.785 1.00 0.00 N ATOM 167 CA LEU A 540 -3.476 5.044 -5.108 1.00 0.00 C ATOM 168 C LEU A 540 -4.255 5.325 -3.822 1.00 0.00 C ATOM 169 O LEU A 540 -5.239 6.062 -3.836 1.00 0.00 O ATOM 170 CB LEU A 540 -4.025 3.867 -5.916 1.00 0.00 C ATOM 171 CG LEU A 540 -5.496 3.519 -5.679 1.00 0.00 C ATOM 172 CD1 LEU A 540 -6.382 4.759 -5.818 1.00 0.00 C ATOM 173 CD2 LEU A 540 -5.948 2.386 -6.602 1.00 0.00 C ATOM 0 H LEU A 540 -1.738 3.882 -4.953 1.00 0.00 H new ATOM 0 HA LEU A 540 -3.590 5.920 -5.747 1.00 0.00 H new ATOM 0 HB2 LEU A 540 -3.890 4.085 -6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 540 -3.423 2.986 -5.692 1.00 0.00 H new ATOM 0 HG LEU A 540 -5.601 3.161 -4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 540 -7.422 4.484 -5.645 1.00 0.00 H new ATOM 0 HD12 LEU A 540 -6.078 5.507 -5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 540 -6.278 5.170 -6.822 1.00 0.00 H new ATOM 0 HD21 LEU A 540 -6.997 2.159 -6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 540 -5.825 2.692 -7.641 1.00 0.00 H new ATOM 0 HD23 LEU A 540 -5.344 1.499 -6.411 1.00 0.00 H new ATOM 185 N ILE A 541 -3.784 4.722 -2.740 1.00 0.00 N ATOM 186 CA ILE A 541 -4.425 4.897 -1.447 1.00 0.00 C ATOM 187 C ILE A 541 -3.697 5.994 -0.667 1.00 0.00 C ATOM 188 O ILE A 541 -4.198 6.476 0.347 1.00 0.00 O ATOM 189 CB ILE A 541 -4.504 3.563 -0.703 1.00 0.00 C ATOM 190 CG1 ILE A 541 -5.053 2.460 -1.611 1.00 0.00 C ATOM 191 CG2 ILE A 541 -5.316 3.701 0.586 1.00 0.00 C ATOM 192 CD1 ILE A 541 -4.158 1.221 -1.572 1.00 0.00 C ATOM 0 H ILE A 541 -2.967 4.112 -2.732 1.00 0.00 H new ATOM 0 HA ILE A 541 -5.456 5.226 -1.574 1.00 0.00 H new ATOM 0 HB ILE A 541 -3.493 3.271 -0.417 1.00 0.00 H new ATOM 0 HG12 ILE A 541 -6.062 2.194 -1.296 1.00 0.00 H new ATOM 0 HG13 ILE A 541 -5.125 2.829 -2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 541 -5.356 2.738 1.095 1.00 0.00 H new ATOM 0 HG22 ILE A 541 -4.843 4.436 1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 541 -6.328 4.027 0.345 1.00 0.00 H new ATOM 0 HD11 ILE A 541 -4.571 0.453 -2.226 1.00 0.00 H new ATOM 0 HD12 ILE A 541 -3.156 1.485 -1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 541 -4.108 0.840 -0.552 1.00 0.00 H new ATOM 204 N MET A 542 -2.526 6.356 -1.171 1.00 0.00 N ATOM 205 CA MET A 542 -1.724 7.387 -0.534 1.00 0.00 C ATOM 206 C MET A 542 -2.503 8.700 -0.429 1.00 0.00 C ATOM 207 O MET A 542 -2.356 9.437 0.546 1.00 0.00 O ATOM 208 CB MET A 542 -0.447 7.614 -1.345 1.00 0.00 C ATOM 209 CG MET A 542 0.673 6.683 -0.876 1.00 0.00 C ATOM 210 SD MET A 542 1.059 7.007 0.837 1.00 0.00 S ATOM 211 CE MET A 542 2.341 8.233 0.639 1.00 0.00 C ATOM 0 H MET A 542 -2.114 5.954 -2.013 1.00 0.00 H new ATOM 0 HA MET A 542 -1.471 7.055 0.473 1.00 0.00 H new ATOM 0 HB2 MET A 542 -0.648 7.443 -2.402 1.00 0.00 H new ATOM 0 HB3 MET A 542 -0.128 8.652 -1.245 1.00 0.00 H new ATOM 0 HG2 MET A 542 0.368 5.644 -0.998 1.00 0.00 H new ATOM 0 HG3 MET A 542 1.561 6.830 -1.491 1.00 0.00 H new ATOM 0 HE1 MET A 542 2.923 8.302 1.558 1.00 0.00 H new ATOM 0 HE2 MET A 542 2.995 7.946 -0.184 1.00 0.00 H new ATOM 0 HE3 MET A 542 1.889 9.201 0.423 1.00 0.00 H new ATOM 221 N GLN A 543 -3.314 8.953 -1.445 1.00 0.00 N ATOM 222 CA GLN A 543 -4.115 10.165 -1.479 1.00 0.00 C ATOM 223 C GLN A 543 -5.111 10.175 -0.318 1.00 0.00 C ATOM 224 O GLN A 543 -5.352 11.217 0.289 1.00 0.00 O ATOM 225 CB GLN A 543 -4.836 10.308 -2.821 1.00 0.00 C ATOM 226 CG GLN A 543 -5.654 9.055 -3.140 1.00 0.00 C ATOM 227 CD GLN A 543 -5.441 8.616 -4.591 1.00 0.00 C ATOM 228 OE1 GLN A 543 -6.314 8.729 -5.435 1.00 0.00 O ATOM 229 NE2 GLN A 543 -4.235 8.109 -4.831 1.00 0.00 N ATOM 0 H GLN A 543 -3.434 8.340 -2.251 1.00 0.00 H new ATOM 0 HA GLN A 543 -3.449 11.021 -1.369 1.00 0.00 H new ATOM 0 HB2 GLN A 543 -5.492 11.178 -2.795 1.00 0.00 H new ATOM 0 HB3 GLN A 543 -4.107 10.482 -3.613 1.00 0.00 H new ATOM 0 HG2 GLN A 543 -5.367 8.248 -2.466 1.00 0.00 H new ATOM 0 HG3 GLN A 543 -6.712 9.253 -2.968 1.00 0.00 H new ATOM 0 HE21 GLN A 543 -3.550 8.043 -4.078 1.00 0.00 H new ATOM 0 HE22 GLN A 543 -3.995 7.786 -5.768 1.00 0.00 H new ATOM 238 N VAL A 544 -5.663 9.002 -0.044 1.00 0.00 N ATOM 239 CA VAL A 544 -6.628 8.863 1.034 1.00 0.00 C ATOM 240 C VAL A 544 -5.950 9.192 2.365 1.00 0.00 C ATOM 241 O VAL A 544 -6.588 9.710 3.280 1.00 0.00 O ATOM 242 CB VAL A 544 -7.244 7.463 1.007 1.00 0.00 C ATOM 243 CG1 VAL A 544 -8.363 7.336 2.043 1.00 0.00 C ATOM 244 CG2 VAL A 544 -7.751 7.114 -0.393 1.00 0.00 C ATOM 0 H VAL A 544 -5.461 8.139 -0.549 1.00 0.00 H new ATOM 0 HA VAL A 544 -7.449 9.568 0.905 1.00 0.00 H new ATOM 0 HB VAL A 544 -6.463 6.749 1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 544 -8.784 6.331 2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 544 -7.960 7.521 3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 544 -9.144 8.065 1.827 1.00 0.00 H new ATOM 0 HG21 VAL A 544 -8.184 6.114 -0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 544 -8.510 7.835 -0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 544 -6.921 7.144 -1.099 1.00 0.00 H new ATOM 254 N LEU A 545 -4.664 8.878 2.432 1.00 0.00 N ATOM 255 CA LEU A 545 -3.892 9.134 3.636 1.00 0.00 C ATOM 256 C LEU A 545 -3.518 10.617 3.691 1.00 0.00 C ATOM 257 O LEU A 545 -4.312 11.445 4.136 1.00 0.00 O ATOM 258 CB LEU A 545 -2.688 8.193 3.711 1.00 0.00 C ATOM 259 CG LEU A 545 -2.929 6.849 4.400 1.00 0.00 C ATOM 260 CD1 LEU A 545 -3.149 7.036 5.903 1.00 0.00 C ATOM 261 CD2 LEU A 545 -4.085 6.094 3.741 1.00 0.00 C ATOM 0 H LEU A 545 -4.137 8.448 1.671 1.00 0.00 H new ATOM 0 HA LEU A 545 -4.489 8.922 4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -2.338 8.001 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 545 -1.882 8.708 4.234 1.00 0.00 H new ATOM 0 HG LEU A 545 -2.035 6.237 4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -3.318 6.065 6.369 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -2.268 7.502 6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 545 -4.018 7.674 6.067 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -4.235 5.142 4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 545 -4.995 6.690 3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -3.850 5.911 2.692 1.00 0.00 H new ATOM 273 N GLN A 546 -2.310 10.907 3.233 1.00 0.00 N ATOM 274 CA GLN A 546 -1.821 12.275 3.225 1.00 0.00 C ATOM 275 C GLN A 546 -1.814 12.828 1.798 1.00 0.00 C ATOM 276 O GLN A 546 -2.063 14.014 1.586 1.00 0.00 O ATOM 277 CB GLN A 546 -0.429 12.364 3.854 1.00 0.00 C ATOM 278 CG GLN A 546 0.290 11.015 3.788 1.00 0.00 C ATOM 279 CD GLN A 546 0.473 10.562 2.338 1.00 0.00 C ATOM 280 OE1 GLN A 546 0.288 9.406 1.994 1.00 0.00 O ATOM 281 NE2 GLN A 546 0.846 11.534 1.510 1.00 0.00 N ATOM 0 H GLN A 546 -1.655 10.218 2.864 1.00 0.00 H new ATOM 0 HA GLN A 546 -2.495 12.884 3.827 1.00 0.00 H new ATOM 0 HB2 GLN A 546 0.161 13.120 3.335 1.00 0.00 H new ATOM 0 HB3 GLN A 546 -0.515 12.684 4.892 1.00 0.00 H new ATOM 0 HG2 GLN A 546 1.263 11.093 4.274 1.00 0.00 H new ATOM 0 HG3 GLN A 546 -0.282 10.267 4.337 1.00 0.00 H new ATOM 0 HE21 GLN A 546 0.983 12.481 1.864 1.00 0.00 H new ATOM 0 HE22 GLN A 546 0.995 11.333 0.521 1.00 0.00 H new ATOM 290 N LEU A 547 -1.526 11.942 0.856 1.00 0.00 N ATOM 291 CA LEU A 547 -1.483 12.326 -0.545 1.00 0.00 C ATOM 292 C LEU A 547 -0.137 12.989 -0.847 1.00 0.00 C ATOM 293 O LEU A 547 0.024 14.192 -0.650 1.00 0.00 O ATOM 294 CB LEU A 547 -2.690 13.197 -0.899 1.00 0.00 C ATOM 295 CG LEU A 547 -2.414 14.693 -1.061 1.00 0.00 C ATOM 296 CD1 LEU A 547 -1.672 14.975 -2.369 1.00 0.00 C ATOM 297 CD2 LEU A 547 -3.706 15.505 -0.948 1.00 0.00 C ATOM 0 H LEU A 547 -1.320 10.959 1.035 1.00 0.00 H new ATOM 0 HA LEU A 547 -1.556 11.446 -1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 547 -3.121 12.825 -1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 547 -3.445 13.069 -0.123 1.00 0.00 H new ATOM 0 HG LEU A 547 -1.763 15.010 -0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 547 -1.488 16.046 -2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 547 -0.721 14.442 -2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 547 -2.277 14.638 -3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 547 -3.481 16.565 -1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 547 -4.402 15.192 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 547 -4.157 15.337 0.030 1.00 0.00 H new ATOM 309 N THR A 548 0.795 12.174 -1.319 1.00 0.00 N ATOM 310 CA THR A 548 2.121 12.666 -1.650 1.00 0.00 C ATOM 311 C THR A 548 2.863 11.654 -2.525 1.00 0.00 C ATOM 312 O THR A 548 3.357 11.999 -3.597 1.00 0.00 O ATOM 313 CB THR A 548 2.847 12.985 -0.341 1.00 0.00 C ATOM 314 OG1 THR A 548 2.241 14.195 0.106 1.00 0.00 O ATOM 315 CG2 THR A 548 4.313 13.362 -0.562 1.00 0.00 C ATOM 0 H THR A 548 0.658 11.176 -1.480 1.00 0.00 H new ATOM 0 HA THR A 548 2.067 13.581 -2.241 1.00 0.00 H new ATOM 0 HB THR A 548 2.790 12.124 0.325 1.00 0.00 H new ATOM 0 HG1 THR A 548 1.594 14.503 -0.562 1.00 0.00 H new ATOM 0 HG21 THR A 548 4.782 13.579 0.398 1.00 0.00 H new ATOM 0 HG22 THR A 548 4.834 12.533 -1.041 1.00 0.00 H new ATOM 0 HG23 THR A 548 4.370 14.244 -1.201 1.00 0.00 H new ATOM 323 N ALA A 549 2.917 10.424 -2.035 1.00 0.00 N ATOM 324 CA ALA A 549 3.590 9.359 -2.759 1.00 0.00 C ATOM 325 C ALA A 549 5.082 9.384 -2.423 1.00 0.00 C ATOM 326 O ALA A 549 5.699 8.335 -2.242 1.00 0.00 O ATOM 327 CB ALA A 549 3.327 9.515 -4.258 1.00 0.00 C ATOM 0 H ALA A 549 2.506 10.141 -1.145 1.00 0.00 H new ATOM 0 HA ALA A 549 3.201 8.386 -2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 549 3.832 8.716 -4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 549 2.255 9.461 -4.447 1.00 0.00 H new ATOM 0 HB3 ALA A 549 3.707 10.479 -4.596 1.00 0.00 H new ATOM 333 N ASP A 550 5.620 10.593 -2.351 1.00 0.00 N ATOM 334 CA ASP A 550 7.029 10.768 -2.040 1.00 0.00 C ATOM 335 C ASP A 550 7.326 10.146 -0.674 1.00 0.00 C ATOM 336 O ASP A 550 8.393 9.569 -0.470 1.00 0.00 O ATOM 337 CB ASP A 550 7.398 12.251 -1.974 1.00 0.00 C ATOM 338 CG ASP A 550 8.830 12.580 -2.399 1.00 0.00 C ATOM 339 OD1 ASP A 550 9.725 11.780 -2.047 1.00 0.00 O ATOM 340 OD2 ASP A 550 8.999 13.624 -3.066 1.00 0.00 O ATOM 0 H ASP A 550 5.106 11.461 -2.503 1.00 0.00 H new ATOM 0 HA ASP A 550 7.610 10.286 -2.826 1.00 0.00 H new ATOM 0 HB2 ASP A 550 6.709 12.810 -2.608 1.00 0.00 H new ATOM 0 HB3 ASP A 550 7.248 12.602 -0.953 1.00 0.00 H new ATOM 345 N GLN A 551 6.364 10.284 0.226 1.00 0.00 N ATOM 346 CA GLN A 551 6.510 9.743 1.567 1.00 0.00 C ATOM 347 C GLN A 551 6.676 8.223 1.510 1.00 0.00 C ATOM 348 O GLN A 551 7.437 7.649 2.288 1.00 0.00 O ATOM 349 CB GLN A 551 5.320 10.132 2.447 1.00 0.00 C ATOM 350 CG GLN A 551 5.034 11.632 2.350 1.00 0.00 C ATOM 351 CD GLN A 551 4.535 12.182 3.688 1.00 0.00 C ATOM 352 OE1 GLN A 551 5.077 13.125 4.241 1.00 0.00 O ATOM 353 NE2 GLN A 551 3.475 11.543 4.174 1.00 0.00 N ATOM 0 H GLN A 551 5.480 10.763 0.053 1.00 0.00 H new ATOM 0 HA GLN A 551 7.407 10.171 2.015 1.00 0.00 H new ATOM 0 HB2 GLN A 551 4.438 9.569 2.141 1.00 0.00 H new ATOM 0 HB3 GLN A 551 5.526 9.864 3.483 1.00 0.00 H new ATOM 0 HG2 GLN A 551 5.939 12.160 2.050 1.00 0.00 H new ATOM 0 HG3 GLN A 551 4.288 11.814 1.577 1.00 0.00 H new ATOM 0 HE21 GLN A 551 3.071 10.761 3.659 1.00 0.00 H new ATOM 0 HE22 GLN A 551 3.066 11.835 5.062 1.00 0.00 H new ATOM 362 N ILE A 552 5.951 7.614 0.583 1.00 0.00 N ATOM 363 CA ILE A 552 6.009 6.172 0.415 1.00 0.00 C ATOM 364 C ILE A 552 7.424 5.768 -0.005 1.00 0.00 C ATOM 365 O ILE A 552 7.863 4.653 0.272 1.00 0.00 O ATOM 366 CB ILE A 552 4.922 5.702 -0.553 1.00 0.00 C ATOM 367 CG1 ILE A 552 3.601 5.460 0.180 1.00 0.00 C ATOM 368 CG2 ILE A 552 5.379 4.467 -1.333 1.00 0.00 C ATOM 369 CD1 ILE A 552 3.528 4.031 0.721 1.00 0.00 C ATOM 0 H ILE A 552 5.320 8.093 -0.060 1.00 0.00 H new ATOM 0 HA ILE A 552 5.801 5.669 1.360 1.00 0.00 H new ATOM 0 HB ILE A 552 4.746 6.495 -1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 552 3.502 6.169 1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 552 2.767 5.639 -0.498 1.00 0.00 H new ATOM 0 HG21 ILE A 552 4.588 4.153 -2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 552 6.275 4.709 -1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 552 5.600 3.658 -0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 552 2.579 3.886 1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 552 3.603 3.325 -0.106 1.00 0.00 H new ATOM 0 HD13 ILE A 552 4.350 3.863 1.417 1.00 0.00 H new ATOM 381 N ALA A 553 8.098 6.697 -0.668 1.00 0.00 N ATOM 382 CA ALA A 553 9.454 6.452 -1.129 1.00 0.00 C ATOM 383 C ALA A 553 10.345 6.128 0.072 1.00 0.00 C ATOM 384 O ALA A 553 11.392 5.500 -0.079 1.00 0.00 O ATOM 385 CB ALA A 553 9.953 7.665 -1.916 1.00 0.00 C ATOM 0 H ALA A 553 7.730 7.620 -0.897 1.00 0.00 H new ATOM 0 HA ALA A 553 9.482 5.594 -1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 553 10.970 7.481 -2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 553 9.303 7.834 -2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 553 9.942 8.545 -1.273 1.00 0.00 H new ATOM 391 N MET A 554 9.898 6.572 1.237 1.00 0.00 N ATOM 392 CA MET A 554 10.642 6.338 2.463 1.00 0.00 C ATOM 393 C MET A 554 10.197 5.038 3.135 1.00 0.00 C ATOM 394 O MET A 554 10.688 4.689 4.208 1.00 0.00 O ATOM 395 CB MET A 554 10.426 7.509 3.424 1.00 0.00 C ATOM 396 CG MET A 554 11.131 8.770 2.919 1.00 0.00 C ATOM 397 SD MET A 554 12.555 9.121 3.937 1.00 0.00 S ATOM 398 CE MET A 554 13.660 9.791 2.705 1.00 0.00 C ATOM 0 H MET A 554 9.029 7.093 1.358 1.00 0.00 H new ATOM 0 HA MET A 554 11.699 6.252 2.213 1.00 0.00 H new ATOM 0 HB2 MET A 554 9.359 7.703 3.532 1.00 0.00 H new ATOM 0 HB3 MET A 554 10.804 7.248 4.412 1.00 0.00 H new ATOM 0 HG2 MET A 554 11.439 8.634 1.882 1.00 0.00 H new ATOM 0 HG3 MET A 554 10.442 9.615 2.939 1.00 0.00 H new ATOM 0 HE1 MET A 554 14.605 10.065 3.174 1.00 0.00 H new ATOM 0 HE2 MET A 554 13.841 9.043 1.933 1.00 0.00 H new ATOM 0 HE3 MET A 554 13.209 10.675 2.254 1.00 0.00 H new ATOM 408 N LEU A 555 9.272 4.355 2.476 1.00 0.00 N ATOM 409 CA LEU A 555 8.756 3.100 2.996 1.00 0.00 C ATOM 410 C LEU A 555 9.202 1.954 2.086 1.00 0.00 C ATOM 411 O LEU A 555 9.380 2.144 0.884 1.00 0.00 O ATOM 412 CB LEU A 555 7.239 3.182 3.184 1.00 0.00 C ATOM 413 CG LEU A 555 6.723 4.404 3.946 1.00 0.00 C ATOM 414 CD1 LEU A 555 5.219 4.586 3.735 1.00 0.00 C ATOM 415 CD2 LEU A 555 7.088 4.320 5.429 1.00 0.00 C ATOM 0 H LEU A 555 8.867 4.647 1.587 1.00 0.00 H new ATOM 0 HA LEU A 555 9.167 2.900 3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 555 6.770 3.167 2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 555 6.909 2.285 3.708 1.00 0.00 H new ATOM 0 HG LEU A 555 7.214 5.290 3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 555 4.877 5.461 4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 555 5.015 4.724 2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 555 4.692 3.702 4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 555 6.709 5.201 5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 555 6.643 3.424 5.863 1.00 0.00 H new ATOM 0 HD23 LEU A 555 8.172 4.275 5.535 1.00 0.00 H new ATOM 427 N PRO A 556 9.373 0.758 2.711 1.00 0.00 N ATOM 428 CA PRO A 556 9.795 -0.419 1.971 1.00 0.00 C ATOM 429 C PRO A 556 8.644 -0.982 1.134 1.00 0.00 C ATOM 430 O PRO A 556 7.517 -0.496 1.216 1.00 0.00 O ATOM 431 CB PRO A 556 10.291 -1.392 3.028 1.00 0.00 C ATOM 432 CG PRO A 556 9.701 -0.913 4.345 1.00 0.00 C ATOM 433 CD PRO A 556 9.171 0.496 4.133 1.00 0.00 C ATOM 0 HA PRO A 556 10.582 -0.202 1.248 1.00 0.00 H new ATOM 0 HB2 PRO A 556 9.971 -2.409 2.804 1.00 0.00 H new ATOM 0 HB3 PRO A 556 11.380 -1.403 3.069 1.00 0.00 H new ATOM 0 HG2 PRO A 556 8.900 -1.578 4.669 1.00 0.00 H new ATOM 0 HG3 PRO A 556 10.459 -0.922 5.129 1.00 0.00 H new ATOM 0 HD2 PRO A 556 8.117 0.568 4.403 1.00 0.00 H new ATOM 0 HD3 PRO A 556 9.708 1.218 4.749 1.00 0.00 H new ATOM 441 N PRO A 557 8.977 -2.025 0.327 1.00 0.00 N ATOM 442 CA PRO A 557 7.985 -2.659 -0.524 1.00 0.00 C ATOM 443 C PRO A 557 7.046 -3.547 0.296 1.00 0.00 C ATOM 444 O PRO A 557 5.835 -3.539 0.084 1.00 0.00 O ATOM 445 CB PRO A 557 8.788 -3.436 -1.554 1.00 0.00 C ATOM 446 CG PRO A 557 10.183 -3.587 -0.967 1.00 0.00 C ATOM 447 CD PRO A 557 10.302 -2.627 0.205 1.00 0.00 C ATOM 0 HA PRO A 557 7.328 -1.939 -1.012 1.00 0.00 H new ATOM 0 HB2 PRO A 557 8.338 -4.410 -1.747 1.00 0.00 H new ATOM 0 HB3 PRO A 557 8.820 -2.906 -2.506 1.00 0.00 H new ATOM 0 HG2 PRO A 557 10.350 -4.613 -0.639 1.00 0.00 H new ATOM 0 HG3 PRO A 557 10.940 -3.366 -1.720 1.00 0.00 H new ATOM 0 HD2 PRO A 557 10.585 -3.150 1.118 1.00 0.00 H new ATOM 0 HD3 PRO A 557 11.065 -1.871 0.022 1.00 0.00 H new ATOM 455 N GLU A 558 7.642 -4.293 1.215 1.00 0.00 N ATOM 456 CA GLU A 558 6.874 -5.185 2.068 1.00 0.00 C ATOM 457 C GLU A 558 5.896 -4.384 2.930 1.00 0.00 C ATOM 458 O GLU A 558 4.997 -4.953 3.546 1.00 0.00 O ATOM 459 CB GLU A 558 7.797 -6.041 2.937 1.00 0.00 C ATOM 460 CG GLU A 558 7.015 -7.158 3.631 1.00 0.00 C ATOM 461 CD GLU A 558 7.912 -8.369 3.901 1.00 0.00 C ATOM 462 OE1 GLU A 558 8.208 -9.086 2.921 1.00 0.00 O ATOM 463 OE2 GLU A 558 8.281 -8.550 5.082 1.00 0.00 O ATOM 0 H GLU A 558 8.647 -4.298 1.388 1.00 0.00 H new ATOM 0 HA GLU A 558 6.299 -5.859 1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 558 8.586 -6.473 2.321 1.00 0.00 H new ATOM 0 HB3 GLU A 558 8.284 -5.414 3.684 1.00 0.00 H new ATOM 0 HG2 GLU A 558 6.603 -6.789 4.570 1.00 0.00 H new ATOM 0 HG3 GLU A 558 6.171 -7.457 3.009 1.00 0.00 H new ATOM 470 N GLN A 559 6.106 -3.076 2.946 1.00 0.00 N ATOM 471 CA GLN A 559 5.254 -2.191 3.723 1.00 0.00 C ATOM 472 C GLN A 559 4.376 -1.350 2.794 1.00 0.00 C ATOM 473 O GLN A 559 3.241 -1.021 3.137 1.00 0.00 O ATOM 474 CB GLN A 559 6.087 -1.299 4.646 1.00 0.00 C ATOM 475 CG GLN A 559 6.287 -1.960 6.012 1.00 0.00 C ATOM 476 CD GLN A 559 5.792 -1.050 7.139 1.00 0.00 C ATOM 477 OE1 GLN A 559 4.605 -0.918 7.388 1.00 0.00 O ATOM 478 NE2 GLN A 559 6.765 -0.433 7.802 1.00 0.00 N ATOM 0 H GLN A 559 6.853 -2.608 2.434 1.00 0.00 H new ATOM 0 HA GLN A 559 4.605 -2.802 4.351 1.00 0.00 H new ATOM 0 HB2 GLN A 559 7.056 -1.100 4.188 1.00 0.00 H new ATOM 0 HB3 GLN A 559 5.591 -0.337 4.773 1.00 0.00 H new ATOM 0 HG2 GLN A 559 5.751 -2.908 6.043 1.00 0.00 H new ATOM 0 HG3 GLN A 559 7.343 -2.186 6.160 1.00 0.00 H new ATOM 0 HE21 GLN A 559 7.739 -0.589 7.541 1.00 0.00 H new ATOM 0 HE22 GLN A 559 6.538 0.196 8.572 1.00 0.00 H new ATOM 487 N ARG A 560 4.934 -1.026 1.637 1.00 0.00 N ATOM 488 CA ARG A 560 4.216 -0.229 0.657 1.00 0.00 C ATOM 489 C ARG A 560 2.880 -0.890 0.312 1.00 0.00 C ATOM 490 O ARG A 560 1.821 -0.392 0.691 1.00 0.00 O ATOM 491 CB ARG A 560 5.038 -0.059 -0.623 1.00 0.00 C ATOM 492 CG ARG A 560 5.135 1.416 -1.019 1.00 0.00 C ATOM 493 CD ARG A 560 6.501 1.729 -1.633 1.00 0.00 C ATOM 494 NE ARG A 560 7.027 0.536 -2.333 1.00 0.00 N ATOM 495 CZ ARG A 560 8.307 0.384 -2.700 1.00 0.00 C ATOM 496 NH1 ARG A 560 9.199 1.348 -2.435 1.00 0.00 N ATOM 497 NH2 ARG A 560 8.694 -0.733 -3.332 1.00 0.00 N ATOM 0 H ARG A 560 5.875 -1.301 1.356 1.00 0.00 H new ATOM 0 HA ARG A 560 4.038 0.753 1.094 1.00 0.00 H new ATOM 0 HB2 ARG A 560 6.038 -0.466 -0.474 1.00 0.00 H new ATOM 0 HB3 ARG A 560 4.580 -0.627 -1.432 1.00 0.00 H new ATOM 0 HG2 ARG A 560 4.347 1.657 -1.733 1.00 0.00 H new ATOM 0 HG3 ARG A 560 4.974 2.043 -0.142 1.00 0.00 H new ATOM 0 HD2 ARG A 560 6.413 2.561 -2.331 1.00 0.00 H new ATOM 0 HD3 ARG A 560 7.197 2.040 -0.853 1.00 0.00 H new ATOM 0 HE ARG A 560 6.375 -0.218 -2.550 1.00 0.00 H new ATOM 0 HH11 ARG A 560 8.904 2.198 -1.954 1.00 0.00 H new ATOM 0 HH12 ARG A 560 10.173 1.232 -2.714 1.00 0.00 H new ATOM 0 HH21 ARG A 560 8.014 -1.467 -3.533 1.00 0.00 H new ATOM 0 HH22 ARG A 560 9.668 -0.849 -3.612 1.00 0.00 H new ATOM 511 N GLN A 561 2.973 -2.002 -0.402 1.00 0.00 N ATOM 512 CA GLN A 561 1.784 -2.736 -0.802 1.00 0.00 C ATOM 513 C GLN A 561 0.914 -3.043 0.419 1.00 0.00 C ATOM 514 O GLN A 561 -0.275 -3.327 0.282 1.00 0.00 O ATOM 515 CB GLN A 561 2.157 -4.019 -1.547 1.00 0.00 C ATOM 516 CG GLN A 561 1.027 -4.461 -2.479 1.00 0.00 C ATOM 517 CD GLN A 561 0.161 -5.536 -1.819 1.00 0.00 C ATOM 518 OE1 GLN A 561 -0.928 -5.280 -1.332 1.00 0.00 O ATOM 519 NE2 GLN A 561 0.703 -6.750 -1.832 1.00 0.00 N ATOM 0 H GLN A 561 3.853 -2.413 -0.714 1.00 0.00 H new ATOM 0 HA GLN A 561 1.208 -2.112 -1.486 1.00 0.00 H new ATOM 0 HB2 GLN A 561 3.067 -3.857 -2.125 1.00 0.00 H new ATOM 0 HB3 GLN A 561 2.372 -4.811 -0.829 1.00 0.00 H new ATOM 0 HG2 GLN A 561 0.410 -3.602 -2.741 1.00 0.00 H new ATOM 0 HG3 GLN A 561 1.447 -4.847 -3.408 1.00 0.00 H new ATOM 0 HE21 GLN A 561 1.619 -6.895 -2.257 1.00 0.00 H new ATOM 0 HE22 GLN A 561 0.203 -7.536 -1.417 1.00 0.00 H new ATOM 528 N SER A 562 1.541 -2.976 1.584 1.00 0.00 N ATOM 529 CA SER A 562 0.839 -3.244 2.828 1.00 0.00 C ATOM 530 C SER A 562 -0.446 -2.416 2.892 1.00 0.00 C ATOM 531 O SER A 562 -1.459 -2.877 3.414 1.00 0.00 O ATOM 532 CB SER A 562 1.727 -2.942 4.037 1.00 0.00 C ATOM 533 OG SER A 562 1.411 -3.771 5.152 1.00 0.00 O ATOM 0 H SER A 562 2.527 -2.740 1.693 1.00 0.00 H new ATOM 0 HA SER A 562 0.583 -4.303 2.856 1.00 0.00 H new ATOM 0 HB2 SER A 562 2.772 -3.085 3.764 1.00 0.00 H new ATOM 0 HB3 SER A 562 1.612 -1.895 4.319 1.00 0.00 H new ATOM 0 HG SER A 562 2.001 -3.549 5.902 1.00 0.00 H new ATOM 539 N ILE A 563 -0.361 -1.209 2.353 1.00 0.00 N ATOM 540 CA ILE A 563 -1.505 -0.312 2.343 1.00 0.00 C ATOM 541 C ILE A 563 -2.639 -0.948 1.536 1.00 0.00 C ATOM 542 O ILE A 563 -3.808 -0.818 1.893 1.00 0.00 O ATOM 543 CB ILE A 563 -1.095 1.074 1.841 1.00 0.00 C ATOM 544 CG1 ILE A 563 -0.406 1.876 2.947 1.00 0.00 C ATOM 545 CG2 ILE A 563 -2.294 1.820 1.253 1.00 0.00 C ATOM 546 CD1 ILE A 563 0.634 2.834 2.363 1.00 0.00 C ATOM 0 H ILE A 563 0.482 -0.831 1.920 1.00 0.00 H new ATOM 0 HA ILE A 563 -1.879 -0.161 3.355 1.00 0.00 H new ATOM 0 HB ILE A 563 -0.370 0.946 1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 563 -1.150 2.440 3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 563 0.075 1.195 3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 563 -1.976 2.802 0.904 1.00 0.00 H new ATOM 0 HG22 ILE A 563 -2.702 1.252 0.417 1.00 0.00 H new ATOM 0 HG23 ILE A 563 -3.060 1.938 2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 563 1.109 3.392 3.170 1.00 0.00 H new ATOM 0 HD12 ILE A 563 1.390 2.265 1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 563 0.145 3.529 1.680 1.00 0.00 H new ATOM 558 N LEU A 564 -2.252 -1.623 0.463 1.00 0.00 N ATOM 559 CA LEU A 564 -3.222 -2.279 -0.397 1.00 0.00 C ATOM 560 C LEU A 564 -3.858 -3.448 0.358 1.00 0.00 C ATOM 561 O LEU A 564 -5.063 -3.676 0.256 1.00 0.00 O ATOM 562 CB LEU A 564 -2.574 -2.683 -1.723 1.00 0.00 C ATOM 563 CG LEU A 564 -3.428 -3.552 -2.649 1.00 0.00 C ATOM 564 CD1 LEU A 564 -3.061 -3.315 -4.116 1.00 0.00 C ATOM 565 CD2 LEU A 564 -3.324 -5.029 -2.265 1.00 0.00 C ATOM 0 H LEU A 564 -1.281 -1.730 0.170 1.00 0.00 H new ATOM 0 HA LEU A 564 -4.027 -1.592 -0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 564 -2.298 -1.776 -2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 564 -1.650 -3.218 -1.505 1.00 0.00 H new ATOM 0 HG LEU A 564 -4.471 -3.259 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 564 -3.682 -3.945 -4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 564 -3.227 -2.268 -4.368 1.00 0.00 H new ATOM 0 HD13 LEU A 564 -2.011 -3.564 -4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 564 -3.940 -5.624 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 564 -2.286 -5.353 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 564 -3.672 -5.164 -1.241 1.00 0.00 H new ATOM 577 N ILE A 565 -3.020 -4.159 1.098 1.00 0.00 N ATOM 578 CA ILE A 565 -3.486 -5.299 1.870 1.00 0.00 C ATOM 579 C ILE A 565 -4.494 -4.822 2.917 1.00 0.00 C ATOM 580 O ILE A 565 -5.574 -5.395 3.050 1.00 0.00 O ATOM 581 CB ILE A 565 -2.301 -6.066 2.461 1.00 0.00 C ATOM 582 CG1 ILE A 565 -1.615 -6.921 1.394 1.00 0.00 C ATOM 583 CG2 ILE A 565 -2.734 -6.897 3.670 1.00 0.00 C ATOM 584 CD1 ILE A 565 -0.221 -7.355 1.852 1.00 0.00 C ATOM 0 H ILE A 565 -2.021 -3.968 1.180 1.00 0.00 H new ATOM 0 HA ILE A 565 -4.006 -6.009 1.226 1.00 0.00 H new ATOM 0 HB ILE A 565 -1.567 -5.342 2.814 1.00 0.00 H new ATOM 0 HG12 ILE A 565 -2.222 -7.801 1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 565 -1.537 -6.356 0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 565 -1.873 -7.432 4.071 1.00 0.00 H new ATOM 0 HG22 ILE A 565 -3.141 -6.238 4.437 1.00 0.00 H new ATOM 0 HG23 ILE A 565 -3.497 -7.614 3.365 1.00 0.00 H new ATOM 0 HD11 ILE A 565 0.245 -7.961 1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 565 0.391 -6.473 2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 565 -0.305 -7.940 2.768 1.00 0.00 H new ATOM 596 N LEU A 566 -4.105 -3.779 3.635 1.00 0.00 N ATOM 597 CA LEU A 566 -4.961 -3.219 4.667 1.00 0.00 C ATOM 598 C LEU A 566 -6.185 -2.574 4.013 1.00 0.00 C ATOM 599 O LEU A 566 -7.282 -2.611 4.569 1.00 0.00 O ATOM 600 CB LEU A 566 -4.168 -2.265 5.562 1.00 0.00 C ATOM 601 CG LEU A 566 -4.444 -2.368 7.063 1.00 0.00 C ATOM 602 CD1 LEU A 566 -3.140 -2.491 7.853 1.00 0.00 C ATOM 603 CD2 LEU A 566 -5.299 -1.195 7.546 1.00 0.00 C ATOM 0 H LEU A 566 -3.208 -3.307 3.522 1.00 0.00 H new ATOM 0 HA LEU A 566 -5.328 -4.006 5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -3.105 -2.441 5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -4.375 -1.243 5.244 1.00 0.00 H new ATOM 0 HG LEU A 566 -5.016 -3.278 7.243 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -3.365 -2.563 8.917 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -2.604 -3.385 7.534 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -2.520 -1.613 7.671 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -5.480 -1.293 8.616 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -4.776 -0.259 7.351 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -6.251 -1.196 7.015 1.00 0.00 H new ATOM 615 N LYS A 567 -5.957 -1.999 2.841 1.00 0.00 N ATOM 616 CA LYS A 567 -7.027 -1.347 2.106 1.00 0.00 C ATOM 617 C LYS A 567 -8.095 -2.381 1.745 1.00 0.00 C ATOM 618 O LYS A 567 -9.288 -2.083 1.775 1.00 0.00 O ATOM 619 CB LYS A 567 -6.466 -0.595 0.898 1.00 0.00 C ATOM 620 CG LYS A 567 -6.249 0.884 1.225 1.00 0.00 C ATOM 621 CD LYS A 567 -7.584 1.611 1.393 1.00 0.00 C ATOM 622 CE LYS A 567 -7.530 2.594 2.564 1.00 0.00 C ATOM 623 NZ LYS A 567 -8.890 2.850 3.089 1.00 0.00 N ATOM 0 H LYS A 567 -5.046 -1.971 2.382 1.00 0.00 H new ATOM 0 HA LYS A 567 -7.510 -0.592 2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 567 -5.522 -1.045 0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 567 -7.152 -0.688 0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 567 -5.664 0.976 2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 567 -5.672 1.355 0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 567 -7.829 2.146 0.475 1.00 0.00 H new ATOM 0 HD3 LYS A 567 -8.379 0.884 1.560 1.00 0.00 H new ATOM 0 HE2 LYS A 567 -6.898 2.191 3.356 1.00 0.00 H new ATOM 0 HE3 LYS A 567 -7.077 3.531 2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 -8.822 3.289 4.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 -9.396 3.490 2.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 -9.408 1.951 3.163 1.00 0.00 H new ATOM 637 N GLU A 568 -7.629 -3.576 1.413 1.00 0.00 N ATOM 638 CA GLU A 568 -8.529 -4.656 1.047 1.00 0.00 C ATOM 639 C GLU A 568 -9.413 -5.036 2.236 1.00 0.00 C ATOM 640 O GLU A 568 -10.596 -5.326 2.068 1.00 0.00 O ATOM 641 CB GLU A 568 -7.751 -5.868 0.532 1.00 0.00 C ATOM 642 CG GLU A 568 -8.493 -7.169 0.844 1.00 0.00 C ATOM 643 CD GLU A 568 -9.842 -7.217 0.124 1.00 0.00 C ATOM 644 OE1 GLU A 568 -9.827 -7.083 -1.119 1.00 0.00 O ATOM 645 OE2 GLU A 568 -10.857 -7.387 0.832 1.00 0.00 O ATOM 0 H GLU A 568 -6.639 -3.820 1.390 1.00 0.00 H new ATOM 0 HA GLU A 568 -9.172 -4.309 0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 568 -7.603 -5.779 -0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 568 -6.762 -5.891 0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 568 -7.884 -8.021 0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 568 -8.648 -7.255 1.920 1.00 0.00 H new ATOM 652 N GLN A 569 -8.803 -5.024 3.413 1.00 0.00 N ATOM 653 CA GLN A 569 -9.520 -5.365 4.630 1.00 0.00 C ATOM 654 C GLN A 569 -10.580 -4.305 4.936 1.00 0.00 C ATOM 655 O GLN A 569 -11.683 -4.633 5.371 1.00 0.00 O ATOM 656 CB GLN A 569 -8.555 -5.530 5.806 1.00 0.00 C ATOM 657 CG GLN A 569 -8.070 -6.977 5.918 1.00 0.00 C ATOM 658 CD GLN A 569 -6.675 -7.041 6.544 1.00 0.00 C ATOM 659 OE1 GLN A 569 -6.267 -6.177 7.302 1.00 0.00 O ATOM 660 NE2 GLN A 569 -5.970 -8.110 6.185 1.00 0.00 N ATOM 0 H GLN A 569 -7.821 -4.784 3.549 1.00 0.00 H new ATOM 0 HA GLN A 569 -10.023 -6.320 4.477 1.00 0.00 H new ATOM 0 HB2 GLN A 569 -7.701 -4.865 5.676 1.00 0.00 H new ATOM 0 HB3 GLN A 569 -9.050 -5.236 6.731 1.00 0.00 H new ATOM 0 HG2 GLN A 569 -8.770 -7.553 6.522 1.00 0.00 H new ATOM 0 HG3 GLN A 569 -8.050 -7.435 4.929 1.00 0.00 H new ATOM 0 HE21 GLN A 569 -6.373 -8.795 5.546 1.00 0.00 H new ATOM 0 HE22 GLN A 569 -5.027 -8.244 6.549 1.00 0.00 H new ATOM 669 N ILE A 570 -10.209 -3.056 4.697 1.00 0.00 N ATOM 670 CA ILE A 570 -11.115 -1.946 4.941 1.00 0.00 C ATOM 671 C ILE A 570 -12.365 -2.114 4.075 1.00 0.00 C ATOM 672 O ILE A 570 -13.477 -1.840 4.524 1.00 0.00 O ATOM 673 CB ILE A 570 -10.396 -0.612 4.732 1.00 0.00 C ATOM 674 CG1 ILE A 570 -9.261 -0.436 5.743 1.00 0.00 C ATOM 675 CG2 ILE A 570 -11.384 0.555 4.772 1.00 0.00 C ATOM 676 CD1 ILE A 570 -8.240 0.590 5.247 1.00 0.00 C ATOM 0 H ILE A 570 -9.293 -2.788 4.337 1.00 0.00 H new ATOM 0 HA ILE A 570 -11.445 -1.944 5.980 1.00 0.00 H new ATOM 0 HB ILE A 570 -9.945 -0.619 3.740 1.00 0.00 H new ATOM 0 HG12 ILE A 570 -9.669 -0.114 6.701 1.00 0.00 H new ATOM 0 HG13 ILE A 570 -8.768 -1.393 5.912 1.00 0.00 H new ATOM 0 HG21 ILE A 570 -10.847 1.492 4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 570 -12.126 0.431 3.983 1.00 0.00 H new ATOM 0 HG23 ILE A 570 -11.884 0.576 5.740 1.00 0.00 H new ATOM 0 HD11 ILE A 570 -7.444 0.696 5.984 1.00 0.00 H new ATOM 0 HD12 ILE A 570 -7.816 0.253 4.301 1.00 0.00 H new ATOM 0 HD13 ILE A 570 -8.732 1.552 5.103 1.00 0.00 H new ATOM 688 N GLN A 571 -12.141 -2.562 2.849 1.00 0.00 N ATOM 689 CA GLN A 571 -13.235 -2.769 1.916 1.00 0.00 C ATOM 690 C GLN A 571 -14.148 -3.893 2.410 1.00 0.00 C ATOM 691 O GLN A 571 -15.371 -3.776 2.351 1.00 0.00 O ATOM 692 CB GLN A 571 -12.709 -3.068 0.511 1.00 0.00 C ATOM 693 CG GLN A 571 -12.922 -1.872 -0.420 1.00 0.00 C ATOM 694 CD GLN A 571 -12.238 -0.620 0.131 1.00 0.00 C ATOM 695 OE1 GLN A 571 -12.660 -0.033 1.114 1.00 0.00 O ATOM 696 NE2 GLN A 571 -11.162 -0.244 -0.554 1.00 0.00 N ATOM 0 H GLN A 571 -11.217 -2.788 2.480 1.00 0.00 H new ATOM 0 HA GLN A 571 -13.819 -1.850 1.862 1.00 0.00 H new ATOM 0 HB2 GLN A 571 -11.648 -3.311 0.560 1.00 0.00 H new ATOM 0 HB3 GLN A 571 -13.218 -3.943 0.107 1.00 0.00 H new ATOM 0 HG2 GLN A 571 -12.526 -2.102 -1.409 1.00 0.00 H new ATOM 0 HG3 GLN A 571 -13.989 -1.685 -0.539 1.00 0.00 H new ATOM 0 HE21 GLN A 571 -10.863 -0.781 -1.368 1.00 0.00 H new ATOM 0 HE22 GLN A 571 -10.636 0.581 -0.265 1.00 0.00 H new ATOM 705 N LYS A 572 -13.519 -4.958 2.885 1.00 0.00 N ATOM 706 CA LYS A 572 -14.259 -6.102 3.389 1.00 0.00 C ATOM 707 C LYS A 572 -15.035 -6.748 2.240 1.00 0.00 C ATOM 708 O LYS A 572 -15.142 -6.173 1.158 1.00 0.00 O ATOM 709 CB LYS A 572 -15.139 -5.692 4.572 1.00 0.00 C ATOM 710 CG LYS A 572 -14.411 -5.914 5.899 1.00 0.00 C ATOM 711 CD LYS A 572 -15.397 -6.284 7.010 1.00 0.00 C ATOM 712 CE LYS A 572 -14.910 -5.772 8.367 1.00 0.00 C ATOM 713 NZ LYS A 572 -16.037 -5.206 9.142 1.00 0.00 N ATOM 0 H LYS A 572 -12.504 -5.053 2.931 1.00 0.00 H new ATOM 0 HA LYS A 572 -13.575 -6.857 3.777 1.00 0.00 H new ATOM 0 HB2 LYS A 572 -15.417 -4.642 4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 572 -16.064 -6.269 4.559 1.00 0.00 H new ATOM 0 HG2 LYS A 572 -13.672 -6.707 5.784 1.00 0.00 H new ATOM 0 HG3 LYS A 572 -13.868 -5.010 6.176 1.00 0.00 H new ATOM 0 HD2 LYS A 572 -16.377 -5.861 6.788 1.00 0.00 H new ATOM 0 HD3 LYS A 572 -15.519 -7.367 7.048 1.00 0.00 H new ATOM 0 HE2 LYS A 572 -14.449 -6.587 8.926 1.00 0.00 H new ATOM 0 HE3 LYS A 572 -14.143 -5.012 8.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 572 -15.689 -4.863 10.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 572 -16.459 -4.415 8.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 572 -16.756 -5.941 9.297 1.00 0.00 H new ATOM 727 N SER A 573 -15.557 -7.934 2.514 1.00 0.00 N ATOM 728 CA SER A 573 -16.321 -8.665 1.516 1.00 0.00 C ATOM 729 C SER A 573 -17.269 -7.713 0.783 1.00 0.00 C ATOM 730 O SER A 573 -18.054 -7.007 1.413 1.00 0.00 O ATOM 731 CB SER A 573 -17.108 -9.811 2.155 1.00 0.00 C ATOM 732 OG SER A 573 -17.423 -10.832 1.213 1.00 0.00 O ATOM 0 H SER A 573 -15.466 -8.408 3.413 1.00 0.00 H new ATOM 0 HA SER A 573 -15.623 -9.096 0.799 1.00 0.00 H new ATOM 0 HB2 SER A 573 -16.527 -10.238 2.972 1.00 0.00 H new ATOM 0 HB3 SER A 573 -18.029 -9.421 2.589 1.00 0.00 H new ATOM 0 HG SER A 573 -17.924 -11.546 1.660 1.00 0.00 H new ATOM 738 N THR A 574 -17.164 -7.726 -0.538 1.00 0.00 N ATOM 739 CA THR A 574 -18.002 -6.873 -1.363 1.00 0.00 C ATOM 740 C THR A 574 -17.935 -7.315 -2.826 1.00 0.00 C ATOM 741 O THR A 574 -16.881 -7.729 -3.306 1.00 0.00 O ATOM 742 CB THR A 574 -17.563 -5.424 -1.145 1.00 0.00 C ATOM 743 OG1 THR A 574 -18.541 -4.656 -1.841 1.00 0.00 O ATOM 744 CG2 THR A 574 -16.252 -5.096 -1.863 1.00 0.00 C ATOM 0 H THR A 574 -16.511 -8.314 -1.057 1.00 0.00 H new ATOM 0 HA THR A 574 -19.051 -6.955 -1.079 1.00 0.00 H new ATOM 0 HB THR A 574 -17.450 -5.236 -0.077 1.00 0.00 H new ATOM 0 HG1 THR A 574 -18.334 -3.703 -1.750 1.00 0.00 H new ATOM 0 HG21 THR A 574 -15.985 -4.056 -1.676 1.00 0.00 H new ATOM 0 HG22 THR A 574 -15.461 -5.746 -1.490 1.00 0.00 H new ATOM 0 HG23 THR A 574 -16.375 -5.252 -2.935 1.00 0.00 H new ATOM 752 N GLY A 575 -19.075 -7.212 -3.495 1.00 0.00 N ATOM 753 CA GLY A 575 -19.158 -7.596 -4.894 1.00 0.00 C ATOM 754 C GLY A 575 -17.928 -7.118 -5.668 1.00 0.00 C ATOM 755 O GLY A 575 -17.613 -5.929 -5.668 1.00 0.00 O ATOM 0 H GLY A 575 -19.948 -6.868 -3.094 1.00 0.00 H new ATOM 0 HA2 GLY A 575 -19.243 -8.680 -4.973 1.00 0.00 H new ATOM 0 HA3 GLY A 575 -20.059 -7.172 -5.338 1.00 0.00 H new ATOM 759 N ALA A 576 -17.266 -8.070 -6.310 1.00 0.00 N ATOM 760 CA ALA A 576 -16.078 -7.761 -7.087 1.00 0.00 C ATOM 761 C ALA A 576 -16.354 -8.038 -8.566 1.00 0.00 C ATOM 762 O ALA A 576 -17.268 -8.790 -8.900 1.00 0.00 O ATOM 763 CB ALA A 576 -14.894 -8.571 -6.553 1.00 0.00 C ATOM 0 H ALA A 576 -17.530 -9.055 -6.308 1.00 0.00 H new ATOM 0 HA ALA A 576 -15.821 -6.706 -6.992 1.00 0.00 H new ATOM 0 HB1 ALA A 576 -14.002 -8.339 -7.136 1.00 0.00 H new ATOM 0 HB2 ALA A 576 -14.721 -8.316 -5.508 1.00 0.00 H new ATOM 0 HB3 ALA A 576 -15.115 -9.635 -6.635 1.00 0.00 H new ATOM 769 N PRO A 577 -15.526 -7.399 -9.435 1.00 0.00 N ATOM 770 CA PRO A 577 -15.672 -7.569 -10.870 1.00 0.00 C ATOM 771 C PRO A 577 -15.144 -8.934 -11.317 1.00 0.00 C ATOM 772 O PRO A 577 -15.195 -9.901 -10.560 1.00 0.00 O ATOM 773 CB PRO A 577 -14.908 -6.407 -11.484 1.00 0.00 C ATOM 774 CG PRO A 577 -13.979 -5.897 -10.394 1.00 0.00 C ATOM 775 CD PRO A 577 -14.432 -6.501 -9.075 1.00 0.00 C ATOM 0 HA PRO A 577 -16.714 -7.557 -11.191 1.00 0.00 H new ATOM 0 HB2 PRO A 577 -14.344 -6.729 -12.359 1.00 0.00 H new ATOM 0 HB3 PRO A 577 -15.589 -5.623 -11.815 1.00 0.00 H new ATOM 0 HG2 PRO A 577 -12.948 -6.178 -10.609 1.00 0.00 H new ATOM 0 HG3 PRO A 577 -14.009 -4.808 -10.346 1.00 0.00 H new ATOM 0 HD2 PRO A 577 -13.620 -7.041 -8.587 1.00 0.00 H new ATOM 0 HD3 PRO A 577 -14.765 -5.730 -8.380 1.00 0.00 H new TER 783 PRO A 577