USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 402 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 29 GLN : amide:sc= 0.0905 K(o=0.058,f=-1.6) USER MOD Set 1.2: A 30 THR OG1 : rot -51:sc= -0.0322 USER MOD Single : A 1 ASP N :NH3+ 180:sc= -8.1! (180deg=-8.1!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -30:sc= -1.6! USER MOD Single : A 22 ASN : amide:sc= -1.62! K(o=-1.6!,f=-0.03) USER MOD Single : A 24 LYS NZ :NH3+ 135:sc= -0.074 (180deg=-0.31) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.218 USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= 0.0674 (180deg=0.0633) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -4.72! C(o=-4.7!,f=-4.5!) USER MOD Single : A 42 ASN : amide:sc= -5.31! C(o=-5.3!,f=-3!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.185 USER MOD Single : A 50 MET CE :methyl 173:sc= 0 (180deg=-0.054) USER MOD Single : A 52 THR OG1 : rot -144:sc= 1.94 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -3.041 6.912 5.531 1.00 0.00 N ATOM 2 CA ASP A 1 -2.149 5.860 6.069 1.00 0.00 C ATOM 3 C ASP A 1 -2.709 4.505 5.741 1.00 0.00 C ATOM 4 O ASP A 1 -1.966 3.541 5.536 1.00 0.00 O ATOM 5 CB ASP A 1 -1.981 6.030 7.582 1.00 0.00 C ATOM 6 CG ASP A 1 -1.346 7.357 7.964 1.00 0.00 C ATOM 7 OD1 ASP A 1 -1.937 8.412 7.651 1.00 0.00 O ATOM 8 OD2 ASP A 1 -0.257 7.338 8.577 1.00 0.00 O ATOM 0 H1 ASP A 1 -2.651 7.848 5.760 1.00 0.00 H new ATOM 0 H2 ASP A 1 -3.115 6.810 4.499 1.00 0.00 H new ATOM 0 H3 ASP A 1 -3.985 6.817 5.956 1.00 0.00 H new ATOM 0 HA ASP A 1 -1.166 5.951 5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -2.956 5.949 8.062 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -1.368 5.216 7.968 1.00 0.00 H new ATOM 15 N PHE A 2 -4.035 4.448 5.691 1.00 0.00 N ATOM 16 CA PHE A 2 -4.760 3.251 5.380 1.00 0.00 C ATOM 17 C PHE A 2 -6.008 3.541 4.563 1.00 0.00 C ATOM 18 O PHE A 2 -6.560 2.638 3.926 1.00 0.00 O ATOM 19 CB PHE A 2 -5.177 2.595 6.659 1.00 0.00 C ATOM 20 CG PHE A 2 -4.090 1.954 7.442 1.00 0.00 C ATOM 21 CD1 PHE A 2 -3.207 2.719 8.174 1.00 0.00 C ATOM 22 CD2 PHE A 2 -3.979 0.583 7.460 1.00 0.00 C ATOM 23 CE1 PHE A 2 -2.213 2.117 8.919 1.00 0.00 C ATOM 24 CE2 PHE A 2 -3.003 -0.031 8.196 1.00 0.00 C ATOM 25 CZ PHE A 2 -2.113 0.736 8.933 1.00 0.00 C ATOM 0 H PHE A 2 -4.634 5.254 5.871 1.00 0.00 H new ATOM 0 HA PHE A 2 -4.107 2.605 4.793 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -5.660 3.343 7.288 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -5.928 1.839 6.429 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -3.293 3.795 8.164 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -4.671 -0.016 6.886 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -1.519 2.719 9.487 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -2.926 -1.108 8.203 1.00 0.00 H new ATOM 0 HZ PHE A 2 -1.342 0.256 9.518 1.00 0.00 H new ATOM 35 N CYS A 3 -6.478 4.787 4.629 1.00 0.00 N ATOM 36 CA CYS A 3 -7.703 5.178 3.951 1.00 0.00 C ATOM 37 C CYS A 3 -7.515 6.236 2.849 1.00 0.00 C ATOM 38 O CYS A 3 -8.322 6.283 1.919 1.00 0.00 O ATOM 39 CB CYS A 3 -8.673 5.703 4.996 1.00 0.00 C ATOM 40 SG CYS A 3 -9.051 4.556 6.374 1.00 0.00 S ATOM 0 H CYS A 3 -6.025 5.540 5.147 1.00 0.00 H new ATOM 0 HA CYS A 3 -8.082 4.291 3.442 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -8.265 6.623 5.415 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -9.607 5.966 4.499 1.00 0.00 H new ATOM 45 N LEU A 4 -6.484 7.099 2.945 1.00 0.00 N ATOM 46 CA LEU A 4 -6.271 8.143 1.926 1.00 0.00 C ATOM 47 C LEU A 4 -4.796 8.412 1.671 1.00 0.00 C ATOM 48 O LEU A 4 -4.403 8.828 0.576 1.00 0.00 O ATOM 49 CB LEU A 4 -6.966 9.464 2.305 1.00 0.00 C ATOM 50 CG LEU A 4 -7.133 9.747 3.805 1.00 0.00 C ATOM 51 CD1 LEU A 4 -7.057 11.242 4.076 1.00 0.00 C ATOM 52 CD2 LEU A 4 -8.464 9.193 4.293 1.00 0.00 C ATOM 0 H LEU A 4 -5.800 7.095 3.701 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.716 7.754 1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.401 10.285 1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.954 9.474 1.844 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.324 9.256 4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.177 11.425 5.144 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.089 11.622 3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.850 11.752 3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.575 9.398 5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.278 9.668 3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.493 8.116 4.126 1.00 0.00 H new ATOM 64 N GLU A 5 -4.003 8.185 2.704 1.00 0.00 N ATOM 65 CA GLU A 5 -2.579 8.393 2.685 1.00 0.00 C ATOM 66 C GLU A 5 -1.747 7.070 2.723 1.00 0.00 C ATOM 67 O GLU A 5 -0.517 7.146 2.738 1.00 0.00 O ATOM 68 CB GLU A 5 -2.258 9.268 3.882 1.00 0.00 C ATOM 69 CG GLU A 5 -2.343 10.760 3.599 1.00 0.00 C ATOM 70 CD GLU A 5 -2.018 11.611 4.814 1.00 0.00 C ATOM 71 OE1 GLU A 5 -2.756 11.525 5.819 1.00 0.00 O ATOM 72 OE2 GLU A 5 -1.022 12.363 4.761 1.00 0.00 O ATOM 0 H GLU A 5 -4.349 7.842 3.600 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.299 8.865 1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.944 9.023 4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.253 9.032 4.233 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.656 11.011 2.791 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.347 11.002 3.250 1.00 0.00 H new ATOM 79 N PRO A 6 -2.374 5.831 2.737 1.00 0.00 N ATOM 80 CA PRO A 6 -1.635 4.536 2.781 1.00 0.00 C ATOM 81 C PRO A 6 -0.567 4.293 1.700 1.00 0.00 C ATOM 82 O PRO A 6 0.416 3.604 1.987 1.00 0.00 O ATOM 83 CB PRO A 6 -2.725 3.476 2.605 1.00 0.00 C ATOM 84 CG PRO A 6 -3.917 4.206 2.118 1.00 0.00 C ATOM 85 CD PRO A 6 -3.829 5.561 2.732 1.00 0.00 C ATOM 0 HA PRO A 6 -1.070 4.517 3.713 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.416 2.711 1.893 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -2.934 2.969 3.547 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -3.923 4.267 1.030 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -4.836 3.700 2.414 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -4.375 6.304 2.150 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -4.246 5.575 3.739 1.00 0.00 H new ATOM 93 N PRO A 7 -0.731 4.791 0.439 1.00 0.00 N ATOM 94 CA PRO A 7 0.248 4.525 -0.605 1.00 0.00 C ATOM 95 C PRO A 7 1.501 5.400 -0.507 1.00 0.00 C ATOM 96 O PRO A 7 1.649 6.418 -1.195 1.00 0.00 O ATOM 97 CB PRO A 7 -0.539 4.710 -1.906 1.00 0.00 C ATOM 98 CG PRO A 7 -1.724 5.552 -1.571 1.00 0.00 C ATOM 99 CD PRO A 7 -1.859 5.598 -0.072 1.00 0.00 C ATOM 0 HA PRO A 7 0.670 3.523 -0.527 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.076 5.192 -2.666 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -0.850 3.747 -2.311 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.602 6.558 -1.973 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -2.625 5.136 -2.021 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.810 6.622 0.297 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.816 5.188 0.251 1.00 0.00 H new ATOM 107 N TYR A 8 2.401 4.952 0.378 1.00 0.00 N ATOM 108 CA TYR A 8 3.669 5.609 0.636 1.00 0.00 C ATOM 109 C TYR A 8 4.777 5.012 -0.248 1.00 0.00 C ATOM 110 O TYR A 8 5.642 4.260 0.222 1.00 0.00 O ATOM 111 CB TYR A 8 4.029 5.495 2.128 1.00 0.00 C ATOM 112 CG TYR A 8 3.523 6.644 2.977 1.00 0.00 C ATOM 113 CD1 TYR A 8 4.300 7.782 3.158 1.00 0.00 C ATOM 114 CD2 TYR A 8 2.283 6.594 3.608 1.00 0.00 C ATOM 115 CE1 TYR A 8 3.860 8.835 3.936 1.00 0.00 C ATOM 116 CE2 TYR A 8 1.838 7.646 4.389 1.00 0.00 C ATOM 117 CZ TYR A 8 2.629 8.763 4.549 1.00 0.00 C ATOM 118 OH TYR A 8 2.187 9.809 5.325 1.00 0.00 O ATOM 0 H TYR A 8 2.258 4.111 0.937 1.00 0.00 H new ATOM 0 HA TYR A 8 3.576 6.666 0.386 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.622 4.562 2.519 1.00 0.00 H new ATOM 0 HB3 TYR A 8 5.113 5.435 2.226 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.267 7.844 2.681 1.00 0.00 H new ATOM 0 HD2 TYR A 8 1.659 5.721 3.486 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.479 9.711 4.063 1.00 0.00 H new ATOM 0 HE2 TYR A 8 0.873 7.592 4.872 1.00 0.00 H new ATOM 0 HH TYR A 8 1.299 9.598 5.683 1.00 0.00 H new ATOM 128 N THR A 9 4.727 5.352 -1.541 1.00 0.00 N ATOM 129 CA THR A 9 5.704 4.863 -2.528 1.00 0.00 C ATOM 130 C THR A 9 6.896 5.819 -2.662 1.00 0.00 C ATOM 131 O THR A 9 7.908 5.476 -3.283 1.00 0.00 O ATOM 132 CB THR A 9 5.032 4.674 -3.896 1.00 0.00 C ATOM 133 OG1 THR A 9 4.361 5.857 -4.298 1.00 0.00 O ATOM 134 CG2 THR A 9 4.026 3.540 -3.931 1.00 0.00 C ATOM 0 H THR A 9 4.015 5.969 -1.933 1.00 0.00 H new ATOM 0 HA THR A 9 6.078 3.903 -2.173 1.00 0.00 H new ATOM 0 HB THR A 9 5.847 4.430 -4.577 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.942 5.714 -5.172 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.593 3.468 -4.929 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.525 2.603 -3.683 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.235 3.733 -3.206 1.00 0.00 H new ATOM 142 N GLY A 10 6.764 7.015 -2.069 1.00 0.00 N ATOM 143 CA GLY A 10 7.818 8.025 -2.110 1.00 0.00 C ATOM 144 C GLY A 10 8.949 7.779 -1.103 1.00 0.00 C ATOM 145 O GLY A 10 10.118 7.852 -1.492 1.00 0.00 O ATOM 0 H GLY A 10 5.931 7.302 -1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.239 8.057 -3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.379 9.004 -1.917 1.00 0.00 H new ATOM 149 N PRO A 11 8.651 7.493 0.214 1.00 0.00 N ATOM 150 CA PRO A 11 9.692 7.254 1.249 1.00 0.00 C ATOM 151 C PRO A 11 10.735 6.199 0.870 1.00 0.00 C ATOM 152 O PRO A 11 11.880 6.269 1.326 1.00 0.00 O ATOM 153 CB PRO A 11 8.888 6.760 2.454 1.00 0.00 C ATOM 154 CG PRO A 11 7.555 7.387 2.289 1.00 0.00 C ATOM 155 CD PRO A 11 7.292 7.399 0.811 1.00 0.00 C ATOM 0 HA PRO A 11 10.272 8.162 1.415 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.817 5.672 2.466 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.354 7.059 3.393 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.788 6.822 2.819 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.545 8.398 2.697 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.774 6.496 0.489 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.668 8.244 0.522 1.00 0.00 H new ATOM 163 N CYS A 12 10.332 5.219 0.050 1.00 0.00 N ATOM 164 CA CYS A 12 11.239 4.152 -0.364 1.00 0.00 C ATOM 165 C CYS A 12 11.260 3.952 -1.888 1.00 0.00 C ATOM 166 O CYS A 12 12.210 4.375 -2.552 1.00 0.00 O ATOM 167 CB CYS A 12 10.873 2.838 0.334 1.00 0.00 C ATOM 168 SG CYS A 12 10.996 2.867 2.150 1.00 0.00 S ATOM 0 H CYS A 12 9.390 5.147 -0.335 1.00 0.00 H new ATOM 0 HA CYS A 12 12.242 4.457 -0.065 1.00 0.00 H new ATOM 0 HB2 CYS A 12 9.853 2.571 0.059 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.523 2.050 -0.046 1.00 0.00 H new ATOM 173 N ARG A 13 10.231 3.260 -2.432 1.00 0.00 N ATOM 174 CA ARG A 13 10.157 2.950 -3.868 1.00 0.00 C ATOM 175 C ARG A 13 8.739 2.490 -4.275 1.00 0.00 C ATOM 176 O ARG A 13 7.788 2.631 -3.500 1.00 0.00 O ATOM 177 CB ARG A 13 11.225 1.864 -4.220 1.00 0.00 C ATOM 178 CG ARG A 13 10.960 0.425 -3.707 1.00 0.00 C ATOM 179 CD ARG A 13 10.605 0.343 -2.217 1.00 0.00 C ATOM 180 NE ARG A 13 9.170 0.599 -1.982 1.00 0.00 N ATOM 181 CZ ARG A 13 8.565 0.588 -0.786 1.00 0.00 C ATOM 182 NH1 ARG A 13 9.227 0.265 0.317 1.00 0.00 N ATOM 183 NH2 ARG A 13 7.272 0.872 -0.705 1.00 0.00 N ATOM 0 H ARG A 13 9.441 2.908 -1.891 1.00 0.00 H new ATOM 0 HA ARG A 13 10.371 3.857 -4.434 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.323 1.824 -5.305 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.186 2.193 -3.825 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.147 -0.011 -4.287 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.845 -0.183 -3.892 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.866 -0.644 -1.835 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.200 1.068 -1.661 1.00 0.00 H new ATOM 0 HE ARG A 13 8.591 0.801 -2.797 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.215 0.019 0.265 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.748 0.263 1.217 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.745 1.097 -1.549 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.804 0.866 0.201 1.00 0.00 H new ATOM 197 N ALA A 14 8.623 1.911 -5.491 1.00 0.00 N ATOM 198 CA ALA A 14 7.359 1.388 -6.022 1.00 0.00 C ATOM 199 C ALA A 14 7.601 0.568 -7.291 1.00 0.00 C ATOM 200 O ALA A 14 8.007 1.114 -8.324 1.00 0.00 O ATOM 201 CB ALA A 14 6.355 2.504 -6.307 1.00 0.00 C ATOM 0 H ALA A 14 9.411 1.796 -6.129 1.00 0.00 H new ATOM 0 HA ALA A 14 6.934 0.741 -5.254 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.434 2.073 -6.699 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.140 3.044 -5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.774 3.192 -7.041 1.00 0.00 H new ATOM 207 N ALA A 15 7.336 -0.746 -7.208 1.00 0.00 N ATOM 208 CA ALA A 15 7.504 -1.658 -8.347 1.00 0.00 C ATOM 209 C ALA A 15 6.583 -2.868 -8.250 1.00 0.00 C ATOM 210 O ALA A 15 6.548 -3.722 -9.143 1.00 0.00 O ATOM 211 CB ALA A 15 8.962 -2.096 -8.500 1.00 0.00 C ATOM 0 H ALA A 15 7.003 -1.201 -6.358 1.00 0.00 H new ATOM 0 HA ALA A 15 7.221 -1.102 -9.241 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.052 -2.770 -9.352 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.590 -1.220 -8.663 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.284 -2.610 -7.595 1.00 0.00 H new ATOM 217 N ILE A 16 5.844 -2.912 -7.159 1.00 0.00 N ATOM 218 CA ILE A 16 4.892 -3.986 -6.874 1.00 0.00 C ATOM 219 C ILE A 16 3.506 -3.355 -6.639 1.00 0.00 C ATOM 220 O ILE A 16 3.416 -2.294 -6.015 1.00 0.00 O ATOM 221 CB ILE A 16 5.369 -4.804 -5.636 1.00 0.00 C ATOM 222 CG1 ILE A 16 6.851 -5.186 -5.782 1.00 0.00 C ATOM 223 CG2 ILE A 16 4.528 -6.064 -5.420 1.00 0.00 C ATOM 224 CD1 ILE A 16 7.628 -5.108 -4.487 1.00 0.00 C ATOM 0 H ILE A 16 5.883 -2.198 -6.432 1.00 0.00 H new ATOM 0 HA ILE A 16 4.828 -4.677 -7.714 1.00 0.00 H new ATOM 0 HB ILE A 16 5.242 -4.165 -4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.919 -6.200 -6.176 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.317 -4.527 -6.515 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.897 -6.602 -4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.487 -5.784 -5.261 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.601 -6.705 -6.299 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.665 -5.391 -4.667 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.592 -4.089 -4.102 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.188 -5.788 -3.757 1.00 0.00 H new ATOM 236 N ILE A 17 2.445 -3.973 -7.188 1.00 0.00 N ATOM 237 CA ILE A 17 1.082 -3.425 -7.087 1.00 0.00 C ATOM 238 C ILE A 17 0.048 -4.392 -6.488 1.00 0.00 C ATOM 239 O ILE A 17 0.143 -5.617 -6.593 1.00 0.00 O ATOM 240 CB ILE A 17 0.625 -2.966 -8.507 1.00 0.00 C ATOM 241 CG1 ILE A 17 -0.696 -2.186 -8.508 1.00 0.00 C ATOM 242 CG2 ILE A 17 0.542 -4.128 -9.503 1.00 0.00 C ATOM 243 CD1 ILE A 17 -0.502 -0.693 -8.486 1.00 0.00 C ATOM 0 H ILE A 17 2.506 -4.850 -7.705 1.00 0.00 H new ATOM 0 HA ILE A 17 1.129 -2.588 -6.390 1.00 0.00 H new ATOM 0 HB ILE A 17 1.408 -2.282 -8.833 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.271 -2.458 -9.393 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.286 -2.482 -7.641 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.220 -3.752 -10.474 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.523 -4.594 -9.601 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.175 -4.865 -9.143 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.474 -0.200 -8.488 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.047 -0.411 -7.587 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.062 -0.386 -9.367 1.00 0.00 H new ATOM 255 N ARG A 18 -0.964 -3.743 -5.912 1.00 0.00 N ATOM 256 CA ARG A 18 -2.155 -4.355 -5.292 1.00 0.00 C ATOM 257 C ARG A 18 -3.146 -3.230 -4.961 1.00 0.00 C ATOM 258 O ARG A 18 -3.122 -2.217 -5.645 1.00 0.00 O ATOM 259 CB ARG A 18 -1.850 -5.223 -4.053 1.00 0.00 C ATOM 260 CG ARG A 18 -2.423 -6.642 -4.120 1.00 0.00 C ATOM 261 CD ARG A 18 -1.623 -7.564 -5.050 1.00 0.00 C ATOM 262 NE ARG A 18 -0.255 -7.840 -4.567 1.00 0.00 N ATOM 263 CZ ARG A 18 0.053 -8.614 -3.509 1.00 0.00 C ATOM 264 NH1 ARG A 18 -0.896 -9.212 -2.794 1.00 0.00 N ATOM 265 NH2 ARG A 18 1.325 -8.785 -3.171 1.00 0.00 N ATOM 0 H ARG A 18 -0.983 -2.725 -5.859 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.585 -5.055 -6.008 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.769 -5.286 -3.925 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.247 -4.725 -3.168 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.439 -7.070 -3.118 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.456 -6.596 -4.463 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.158 -8.507 -5.163 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.566 -7.110 -6.039 1.00 0.00 H new ATOM 0 HE ARG A 18 0.518 -7.410 -5.075 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.877 -9.088 -3.044 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.643 -9.794 -1.996 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.062 -8.332 -3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.566 -9.370 -2.371 1.00 0.00 H new ATOM 279 N TYR A 19 -4.034 -3.403 -3.964 1.00 0.00 N ATOM 280 CA TYR A 19 -5.051 -2.379 -3.663 1.00 0.00 C ATOM 281 C TYR A 19 -4.785 -1.508 -2.438 1.00 0.00 C ATOM 282 O TYR A 19 -4.407 -1.995 -1.364 1.00 0.00 O ATOM 283 CB TYR A 19 -6.428 -3.058 -3.511 1.00 0.00 C ATOM 284 CG TYR A 19 -7.022 -3.685 -4.778 1.00 0.00 C ATOM 285 CD1 TYR A 19 -6.249 -3.974 -5.906 1.00 0.00 C ATOM 286 CD2 TYR A 19 -8.380 -3.985 -4.833 1.00 0.00 C ATOM 287 CE1 TYR A 19 -6.809 -4.538 -7.035 1.00 0.00 C ATOM 288 CE2 TYR A 19 -8.944 -4.549 -5.962 1.00 0.00 C ATOM 289 CZ TYR A 19 -8.156 -4.824 -7.059 1.00 0.00 C ATOM 290 OH TYR A 19 -8.718 -5.384 -8.183 1.00 0.00 O ATOM 0 H TYR A 19 -4.069 -4.227 -3.363 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.016 -1.694 -4.510 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.344 -3.836 -2.752 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.134 -2.319 -3.132 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.192 -3.752 -5.894 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.005 -3.773 -3.978 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.193 -4.754 -7.896 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.000 -4.774 -5.985 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.677 -5.523 -8.035 1.00 0.00 H new ATOM 300 N PHE A 20 -5.057 -0.201 -2.640 1.00 0.00 N ATOM 301 CA PHE A 20 -4.940 0.830 -1.612 1.00 0.00 C ATOM 302 C PHE A 20 -6.310 1.528 -1.478 1.00 0.00 C ATOM 303 O PHE A 20 -7.177 1.317 -2.320 1.00 0.00 O ATOM 304 CB PHE A 20 -3.766 1.768 -1.984 1.00 0.00 C ATOM 305 CG PHE A 20 -4.027 3.110 -2.607 1.00 0.00 C ATOM 306 CD1 PHE A 20 -4.693 4.105 -1.917 1.00 0.00 C ATOM 307 CD2 PHE A 20 -3.542 3.379 -3.867 1.00 0.00 C ATOM 308 CE1 PHE A 20 -4.885 5.345 -2.481 1.00 0.00 C ATOM 309 CE2 PHE A 20 -3.727 4.616 -4.443 1.00 0.00 C ATOM 310 CZ PHE A 20 -4.402 5.605 -3.748 1.00 0.00 C ATOM 0 H PHE A 20 -5.369 0.163 -3.540 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.700 0.426 -0.629 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.193 1.943 -1.073 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.119 1.217 -2.667 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.067 3.907 -0.923 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.011 2.611 -4.410 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.412 6.113 -1.934 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.347 4.814 -5.434 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.550 6.577 -4.195 1.00 0.00 H new ATOM 320 N TYR A 21 -6.514 2.345 -0.439 1.00 0.00 N ATOM 321 CA TYR A 21 -7.792 3.045 -0.265 1.00 0.00 C ATOM 322 C TYR A 21 -7.623 4.529 -0.645 1.00 0.00 C ATOM 323 O TYR A 21 -6.933 5.278 0.056 1.00 0.00 O ATOM 324 CB TYR A 21 -8.284 2.911 1.192 1.00 0.00 C ATOM 325 CG TYR A 21 -9.785 3.045 1.359 1.00 0.00 C ATOM 326 CD1 TYR A 21 -10.626 1.974 1.078 1.00 0.00 C ATOM 327 CD2 TYR A 21 -10.360 4.228 1.806 1.00 0.00 C ATOM 328 CE1 TYR A 21 -11.994 2.080 1.233 1.00 0.00 C ATOM 329 CE2 TYR A 21 -11.729 4.339 1.966 1.00 0.00 C ATOM 330 CZ TYR A 21 -12.541 3.263 1.678 1.00 0.00 C ATOM 331 OH TYR A 21 -13.904 3.372 1.836 1.00 0.00 O ATOM 0 H TYR A 21 -5.822 2.536 0.285 1.00 0.00 H new ATOM 0 HA TYR A 21 -8.539 2.594 -0.918 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.972 1.942 1.581 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.793 3.671 1.800 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -10.202 1.043 0.732 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.728 5.074 2.032 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.632 1.239 1.006 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -12.160 5.265 2.315 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.356 2.789 1.191 1.00 0.00 H new ATOM 341 N ASN A 22 -8.248 4.944 -1.760 1.00 0.00 N ATOM 342 CA ASN A 22 -8.170 6.333 -2.233 1.00 0.00 C ATOM 343 C ASN A 22 -9.512 7.021 -1.954 1.00 0.00 C ATOM 344 O ASN A 22 -10.275 7.327 -2.876 1.00 0.00 O ATOM 345 CB ASN A 22 -7.809 6.378 -3.723 1.00 0.00 C ATOM 346 CG ASN A 22 -7.446 7.772 -4.214 1.00 0.00 C ATOM 347 OD1 ASN A 22 -6.509 8.394 -3.713 1.00 0.00 O ATOM 348 ND2 ASN A 22 -8.187 8.264 -5.197 1.00 0.00 N ATOM 0 H ASN A 22 -8.814 4.334 -2.350 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.381 6.865 -1.701 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.971 5.706 -3.907 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.651 6.003 -4.305 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.990 9.193 -5.568 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.954 7.713 -5.582 1.00 0.00 H new ATOM 355 N ALA A 23 -9.805 7.191 -0.652 1.00 0.00 N ATOM 356 CA ALA A 23 -11.071 7.759 -0.134 1.00 0.00 C ATOM 357 C ALA A 23 -11.424 9.178 -0.630 1.00 0.00 C ATOM 358 O ALA A 23 -12.035 9.974 0.096 1.00 0.00 O ATOM 359 CB ALA A 23 -11.031 7.720 1.389 1.00 0.00 C ATOM 0 H ALA A 23 -9.155 6.932 0.090 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.869 7.135 -0.536 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.957 8.135 1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.922 6.688 1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.186 8.309 1.746 1.00 0.00 H new ATOM 365 N LYS A 24 -11.045 9.472 -1.864 1.00 0.00 N ATOM 366 CA LYS A 24 -11.298 10.756 -2.490 1.00 0.00 C ATOM 367 C LYS A 24 -11.985 10.595 -3.847 1.00 0.00 C ATOM 368 O LYS A 24 -12.956 11.293 -4.150 1.00 0.00 O ATOM 369 CB LYS A 24 -9.974 11.503 -2.690 1.00 0.00 C ATOM 370 CG LYS A 24 -9.114 11.666 -1.438 1.00 0.00 C ATOM 371 CD LYS A 24 -9.926 12.141 -0.251 1.00 0.00 C ATOM 372 CE LYS A 24 -9.424 11.509 1.024 1.00 0.00 C ATOM 373 NZ LYS A 24 -10.191 11.964 2.217 1.00 0.00 N ATOM 0 H LYS A 24 -10.547 8.815 -2.465 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.959 11.321 -1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.390 10.976 -3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.193 12.493 -3.091 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.641 10.714 -1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.313 12.378 -1.638 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.865 13.227 -0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.976 11.890 -0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.493 10.424 0.942 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.370 11.752 1.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.420 11.145 2.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.618 12.641 2.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.071 12.424 1.909 1.00 0.00 H new ATOM 387 N ALA A 25 -11.443 9.682 -4.660 1.00 0.00 N ATOM 388 CA ALA A 25 -11.951 9.413 -6.011 1.00 0.00 C ATOM 389 C ALA A 25 -13.036 8.342 -6.013 1.00 0.00 C ATOM 390 O ALA A 25 -14.216 8.633 -6.232 1.00 0.00 O ATOM 391 CB ALA A 25 -10.795 9.012 -6.919 1.00 0.00 C ATOM 0 H ALA A 25 -10.640 9.109 -4.401 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.410 10.327 -6.388 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.172 8.812 -7.922 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.067 9.822 -6.960 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.318 8.114 -6.526 1.00 0.00 H new ATOM 397 N GLY A 26 -12.608 7.119 -5.753 1.00 0.00 N ATOM 398 CA GLY A 26 -13.501 5.977 -5.699 1.00 0.00 C ATOM 399 C GLY A 26 -13.323 5.228 -4.403 1.00 0.00 C ATOM 400 O GLY A 26 -13.982 4.216 -4.150 1.00 0.00 O ATOM 0 H GLY A 26 -11.630 6.891 -5.573 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.534 6.311 -5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.302 5.313 -6.540 1.00 0.00 H new ATOM 404 N LEU A 27 -12.410 5.768 -3.576 1.00 0.00 N ATOM 405 CA LEU A 27 -12.050 5.249 -2.249 1.00 0.00 C ATOM 406 C LEU A 27 -11.190 3.983 -2.308 1.00 0.00 C ATOM 407 O LEU A 27 -10.540 3.636 -1.328 1.00 0.00 O ATOM 408 CB LEU A 27 -13.274 5.101 -1.338 1.00 0.00 C ATOM 409 CG LEU A 27 -13.964 6.436 -1.006 1.00 0.00 C ATOM 410 CD1 LEU A 27 -15.140 6.685 -1.940 1.00 0.00 C ATOM 411 CD2 LEU A 27 -14.415 6.458 0.447 1.00 0.00 C ATOM 0 H LEU A 27 -11.886 6.607 -3.824 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.412 6.004 -1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.995 4.439 -1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.968 4.619 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.241 7.239 -1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.612 7.634 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.785 6.720 -2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.866 5.879 -1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.901 7.410 0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.118 5.644 0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.550 6.336 1.098 1.00 0.00 H new ATOM 423 N CYS A 28 -11.150 3.331 -3.469 1.00 0.00 N ATOM 424 CA CYS A 28 -10.343 2.147 -3.671 1.00 0.00 C ATOM 425 C CYS A 28 -9.421 2.345 -4.862 1.00 0.00 C ATOM 426 O CYS A 28 -9.857 2.763 -5.938 1.00 0.00 O ATOM 427 CB CYS A 28 -11.245 0.952 -3.870 1.00 0.00 C ATOM 428 SG CYS A 28 -12.003 0.334 -2.336 1.00 0.00 S ATOM 0 H CYS A 28 -11.680 3.616 -4.292 1.00 0.00 H new ATOM 0 HA CYS A 28 -9.723 1.969 -2.793 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.035 1.219 -4.572 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -10.670 0.148 -4.329 1.00 0.00 H new ATOM 433 N GLN A 29 -8.133 2.090 -4.629 1.00 0.00 N ATOM 434 CA GLN A 29 -7.096 2.282 -5.632 1.00 0.00 C ATOM 435 C GLN A 29 -6.062 1.131 -5.646 1.00 0.00 C ATOM 436 O GLN A 29 -6.407 -0.012 -5.332 1.00 0.00 O ATOM 437 CB GLN A 29 -6.466 3.658 -5.394 1.00 0.00 C ATOM 438 CG GLN A 29 -6.548 4.607 -6.582 1.00 0.00 C ATOM 439 CD GLN A 29 -5.609 4.236 -7.721 1.00 0.00 C ATOM 440 OE1 GLN A 29 -5.716 3.158 -8.306 1.00 0.00 O ATOM 441 NE2 GLN A 29 -4.683 5.133 -8.040 1.00 0.00 N ATOM 0 H GLN A 29 -7.783 1.744 -3.736 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.534 2.255 -6.630 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.956 4.124 -4.539 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.418 3.522 -5.126 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.572 4.621 -6.956 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.317 5.618 -6.246 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.629 6.014 -7.529 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.026 4.941 -8.796 1.00 0.00 H new ATOM 450 N THR A 30 -4.811 1.432 -6.066 1.00 0.00 N ATOM 451 CA THR A 30 -3.727 0.417 -6.202 1.00 0.00 C ATOM 452 C THR A 30 -2.318 1.029 -6.086 1.00 0.00 C ATOM 453 O THR A 30 -2.151 2.221 -6.363 1.00 0.00 O ATOM 454 CB THR A 30 -3.823 -0.271 -7.586 1.00 0.00 C ATOM 455 OG1 THR A 30 -3.928 0.692 -8.621 1.00 0.00 O ATOM 456 CG2 THR A 30 -4.987 -1.231 -7.736 1.00 0.00 C ATOM 0 H THR A 30 -4.521 2.376 -6.320 1.00 0.00 H new ATOM 0 HA THR A 30 -3.868 -0.293 -5.387 1.00 0.00 H new ATOM 0 HB THR A 30 -2.903 -0.850 -7.662 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.645 1.325 -8.407 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.974 -1.665 -8.736 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.901 -2.025 -6.995 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.923 -0.694 -7.586 1.00 0.00 H new ATOM 464 N PHE A 31 -1.288 0.192 -5.712 1.00 0.00 N ATOM 465 CA PHE A 31 0.141 0.666 -5.607 1.00 0.00 C ATOM 466 C PHE A 31 1.112 -0.331 -4.921 1.00 0.00 C ATOM 467 O PHE A 31 2.331 -0.153 -5.000 1.00 0.00 O ATOM 468 CB PHE A 31 0.220 1.959 -4.745 1.00 0.00 C ATOM 469 CG PHE A 31 0.234 1.662 -3.258 1.00 0.00 C ATOM 470 CD1 PHE A 31 -0.843 1.033 -2.666 1.00 0.00 C ATOM 471 CD2 PHE A 31 1.345 1.944 -2.481 1.00 0.00 C ATOM 472 CE1 PHE A 31 -0.833 0.700 -1.334 1.00 0.00 C ATOM 473 CE2 PHE A 31 1.369 1.607 -1.138 1.00 0.00 C ATOM 474 CZ PHE A 31 0.276 0.985 -0.562 1.00 0.00 C ATOM 0 H PHE A 31 -1.417 -0.794 -5.483 1.00 0.00 H new ATOM 0 HA PHE A 31 0.444 0.807 -6.645 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.119 2.515 -5.010 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.631 2.600 -4.977 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.712 0.798 -3.263 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.200 2.431 -2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.691 0.216 -0.891 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.241 1.830 -0.541 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.290 0.724 0.486 1.00 0.00 H new ATOM 484 N VAL A 32 0.541 -1.255 -4.135 1.00 0.00 N ATOM 485 CA VAL A 32 1.284 -2.190 -3.238 1.00 0.00 C ATOM 486 C VAL A 32 2.428 -1.504 -2.495 1.00 0.00 C ATOM 487 O VAL A 32 2.270 -1.135 -1.329 1.00 0.00 O ATOM 488 CB VAL A 32 1.800 -3.535 -3.852 1.00 0.00 C ATOM 489 CG1 VAL A 32 3.203 -3.902 -3.353 1.00 0.00 C ATOM 490 CG2 VAL A 32 0.890 -4.666 -3.456 1.00 0.00 C ATOM 0 H VAL A 32 -0.470 -1.386 -4.095 1.00 0.00 H new ATOM 0 HA VAL A 32 0.492 -2.485 -2.549 1.00 0.00 H new ATOM 0 HB VAL A 32 1.821 -3.390 -4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.516 -4.842 -3.807 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.905 -3.114 -3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.187 -4.011 -2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.257 -5.597 -3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.870 -4.753 -2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.117 -4.468 -3.823 1.00 0.00 H new ATOM 500 N TYR A 33 3.598 -1.445 -3.171 1.00 0.00 N ATOM 501 CA TYR A 33 4.857 -0.932 -2.612 1.00 0.00 C ATOM 502 C TYR A 33 6.082 -1.581 -3.304 1.00 0.00 C ATOM 503 O TYR A 33 5.953 -2.168 -4.387 1.00 0.00 O ATOM 504 CB TYR A 33 4.757 -1.193 -1.093 1.00 0.00 C ATOM 505 CG TYR A 33 5.629 -2.229 -0.436 1.00 0.00 C ATOM 506 CD1 TYR A 33 5.660 -3.527 -0.910 1.00 0.00 C ATOM 507 CD2 TYR A 33 6.334 -1.927 0.703 1.00 0.00 C ATOM 508 CE1 TYR A 33 6.399 -4.501 -0.271 1.00 0.00 C ATOM 509 CE2 TYR A 33 7.058 -2.883 1.358 1.00 0.00 C ATOM 510 CZ TYR A 33 7.096 -4.174 0.871 1.00 0.00 C ATOM 511 OH TYR A 33 7.825 -5.136 1.530 1.00 0.00 O ATOM 0 H TYR A 33 3.689 -1.760 -4.137 1.00 0.00 H new ATOM 0 HA TYR A 33 5.005 0.133 -2.790 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.950 -0.245 -0.591 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.722 -1.462 -0.880 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.096 -3.783 -1.795 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.316 -0.918 1.087 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.431 -5.507 -0.661 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.600 -2.629 2.257 1.00 0.00 H new ATOM 0 HH TYR A 33 8.257 -4.739 2.315 1.00 0.00 H new ATOM 521 N GLY A 34 7.254 -1.463 -2.664 1.00 0.00 N ATOM 522 CA GLY A 34 8.480 -2.030 -3.189 1.00 0.00 C ATOM 523 C GLY A 34 9.224 -2.889 -2.168 1.00 0.00 C ATOM 524 O GLY A 34 9.571 -4.036 -2.469 1.00 0.00 O ATOM 0 H GLY A 34 7.367 -0.974 -1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.248 -2.635 -4.065 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.133 -1.224 -3.523 1.00 0.00 H new ATOM 528 N GLY A 35 9.471 -2.344 -0.961 1.00 0.00 N ATOM 529 CA GLY A 35 10.176 -3.107 0.070 1.00 0.00 C ATOM 530 C GLY A 35 10.697 -2.277 1.245 1.00 0.00 C ATOM 531 O GLY A 35 11.861 -1.868 1.250 1.00 0.00 O ATOM 0 H GLY A 35 9.198 -1.400 -0.686 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.505 -3.874 0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.017 -3.623 -0.392 1.00 0.00 H new ATOM 535 N CYS A 36 9.834 -2.070 2.260 1.00 0.00 N ATOM 536 CA CYS A 36 10.186 -1.332 3.491 1.00 0.00 C ATOM 537 C CYS A 36 9.342 -1.827 4.674 1.00 0.00 C ATOM 538 O CYS A 36 9.780 -2.707 5.421 1.00 0.00 O ATOM 539 CB CYS A 36 10.072 0.200 3.312 1.00 0.00 C ATOM 540 SG CYS A 36 11.565 0.970 2.603 1.00 0.00 S ATOM 0 H CYS A 36 8.872 -2.410 2.250 1.00 0.00 H new ATOM 0 HA CYS A 36 11.234 -1.537 3.708 1.00 0.00 H new ATOM 0 HB2 CYS A 36 9.221 0.419 2.668 1.00 0.00 H new ATOM 0 HB3 CYS A 36 9.864 0.655 4.280 1.00 0.00 H new ATOM 545 N ARG A 37 8.131 -1.278 4.823 1.00 0.00 N ATOM 546 CA ARG A 37 7.210 -1.672 5.893 1.00 0.00 C ATOM 547 C ARG A 37 5.799 -1.868 5.351 1.00 0.00 C ATOM 548 O ARG A 37 4.835 -2.043 6.104 1.00 0.00 O ATOM 549 CB ARG A 37 7.255 -0.656 7.066 1.00 0.00 C ATOM 550 CG ARG A 37 6.296 0.536 6.959 1.00 0.00 C ATOM 551 CD ARG A 37 6.861 1.685 6.129 1.00 0.00 C ATOM 552 NE ARG A 37 7.052 1.315 4.726 1.00 0.00 N ATOM 553 CZ ARG A 37 7.278 2.183 3.728 1.00 0.00 C ATOM 554 NH1 ARG A 37 7.352 3.492 3.958 1.00 0.00 N ATOM 555 NH2 ARG A 37 7.430 1.734 2.489 1.00 0.00 N ATOM 0 H ARG A 37 7.764 -0.552 4.208 1.00 0.00 H new ATOM 0 HA ARG A 37 7.535 -2.633 6.292 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.038 -1.190 7.991 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.272 -0.273 7.150 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.358 0.202 6.515 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.063 0.899 7.960 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.187 2.539 6.189 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.814 2.001 6.552 1.00 0.00 H new ATOM 0 HE ARG A 37 7.010 0.324 4.489 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.236 3.851 4.906 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.525 4.136 3.186 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.375 0.733 2.299 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.602 2.389 1.727 1.00 0.00 H new ATOM 569 N ALA A 38 5.716 -1.841 4.020 1.00 0.00 N ATOM 570 CA ALA A 38 4.467 -2.006 3.247 1.00 0.00 C ATOM 571 C ALA A 38 3.318 -1.083 3.732 1.00 0.00 C ATOM 572 O ALA A 38 2.157 -1.271 3.351 1.00 0.00 O ATOM 573 CB ALA A 38 4.022 -3.472 3.252 1.00 0.00 C ATOM 0 H ALA A 38 6.533 -1.700 3.426 1.00 0.00 H new ATOM 0 HA ALA A 38 4.694 -1.701 2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.101 -3.575 2.678 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.800 -4.090 2.803 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.848 -3.796 4.278 1.00 0.00 H new ATOM 579 N LYS A 39 3.665 -0.091 4.596 1.00 0.00 N ATOM 580 CA LYS A 39 2.727 0.879 5.201 1.00 0.00 C ATOM 581 C LYS A 39 1.436 0.205 5.727 1.00 0.00 C ATOM 582 O LYS A 39 0.388 0.844 5.868 1.00 0.00 O ATOM 583 CB LYS A 39 2.450 2.027 4.207 1.00 0.00 C ATOM 584 CG LYS A 39 1.675 3.229 4.772 1.00 0.00 C ATOM 585 CD LYS A 39 2.472 3.991 5.828 1.00 0.00 C ATOM 586 CE LYS A 39 1.610 5.015 6.548 1.00 0.00 C ATOM 587 NZ LYS A 39 2.380 5.763 7.580 1.00 0.00 N ATOM 0 H LYS A 39 4.629 0.055 4.895 1.00 0.00 H new ATOM 0 HA LYS A 39 3.197 1.310 6.085 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.404 2.384 3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.892 1.624 3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.416 3.906 3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.738 2.882 5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.884 3.288 6.552 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.316 4.493 5.356 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.198 5.717 5.823 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.766 4.512 7.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.741 6.403 8.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.808 5.091 8.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.129 6.318 7.119 1.00 0.00 H new ATOM 601 N SER A 40 1.556 -1.102 6.040 1.00 0.00 N ATOM 602 CA SER A 40 0.458 -1.942 6.579 1.00 0.00 C ATOM 603 C SER A 40 -0.780 -2.035 5.649 1.00 0.00 C ATOM 604 O SER A 40 -1.218 -3.148 5.344 1.00 0.00 O ATOM 605 CB SER A 40 0.056 -1.484 7.988 1.00 0.00 C ATOM 606 OG SER A 40 -0.893 -2.364 8.571 1.00 0.00 O ATOM 0 H SER A 40 2.430 -1.614 5.925 1.00 0.00 H new ATOM 0 HA SER A 40 0.860 -2.953 6.636 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.942 -1.432 8.621 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.361 -0.478 7.939 1.00 0.00 H new ATOM 0 HG SER A 40 -1.127 -2.045 9.468 1.00 0.00 H new ATOM 612 N ASN A 41 -1.342 -0.885 5.191 1.00 0.00 N ATOM 613 CA ASN A 41 -2.513 -0.898 4.300 1.00 0.00 C ATOM 614 C ASN A 41 -2.093 -1.382 2.907 1.00 0.00 C ATOM 615 O ASN A 41 -1.531 -0.624 2.105 1.00 0.00 O ATOM 616 CB ASN A 41 -3.169 0.490 4.203 1.00 0.00 C ATOM 617 CG ASN A 41 -4.530 0.459 3.506 1.00 0.00 C ATOM 618 OD1 ASN A 41 -5.474 -0.152 4.002 1.00 0.00 O ATOM 619 ND2 ASN A 41 -4.631 1.107 2.344 1.00 0.00 N ATOM 0 H ASN A 41 -1.002 0.048 5.426 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.251 -1.581 4.720 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.290 0.900 5.206 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -2.504 1.163 3.661 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.515 1.106 1.835 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.824 1.603 1.965 1.00 0.00 H new ATOM 626 N ASN A 42 -2.339 -2.663 2.658 1.00 0.00 N ATOM 627 CA ASN A 42 -1.977 -3.315 1.403 1.00 0.00 C ATOM 628 C ASN A 42 -2.841 -4.571 1.245 1.00 0.00 C ATOM 629 O ASN A 42 -2.595 -5.590 1.903 1.00 0.00 O ATOM 630 CB ASN A 42 -0.459 -3.628 1.437 1.00 0.00 C ATOM 631 CG ASN A 42 0.065 -4.404 0.238 1.00 0.00 C ATOM 632 OD1 ASN A 42 -0.397 -5.504 -0.064 1.00 0.00 O ATOM 633 ND2 ASN A 42 1.048 -3.830 -0.443 1.00 0.00 N ATOM 0 H ASN A 42 -2.798 -3.283 3.325 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.163 -2.677 0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.089 -2.688 1.510 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.241 -4.196 2.342 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.451 -4.302 -1.252 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.401 -2.917 -0.157 1.00 0.00 H new ATOM 640 N PHE A 43 -3.881 -4.479 0.398 1.00 0.00 N ATOM 641 CA PHE A 43 -4.796 -5.598 0.195 1.00 0.00 C ATOM 642 C PHE A 43 -5.000 -5.876 -1.292 1.00 0.00 C ATOM 643 O PHE A 43 -4.206 -5.408 -2.108 1.00 0.00 O ATOM 644 CB PHE A 43 -6.119 -5.367 0.927 1.00 0.00 C ATOM 645 CG PHE A 43 -5.954 -5.031 2.393 1.00 0.00 C ATOM 646 CD1 PHE A 43 -5.589 -3.755 2.800 1.00 0.00 C ATOM 647 CD2 PHE A 43 -6.148 -6.004 3.359 1.00 0.00 C ATOM 648 CE1 PHE A 43 -5.421 -3.462 4.137 1.00 0.00 C ATOM 649 CE2 PHE A 43 -5.981 -5.715 4.700 1.00 0.00 C ATOM 650 CZ PHE A 43 -5.615 -4.443 5.089 1.00 0.00 C ATOM 0 H PHE A 43 -4.101 -3.647 -0.149 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.345 -6.491 0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.658 -4.557 0.436 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.735 -6.261 0.836 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.435 -2.983 2.061 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.434 -7.002 3.060 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.138 -2.465 4.440 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.137 -6.484 5.442 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.481 -4.215 6.136 1.00 0.00 H new ATOM 660 N LYS A 44 -6.012 -6.696 -1.650 1.00 0.00 N ATOM 661 CA LYS A 44 -6.203 -7.073 -3.052 1.00 0.00 C ATOM 662 C LYS A 44 -7.666 -7.243 -3.525 1.00 0.00 C ATOM 663 O LYS A 44 -7.887 -7.790 -4.615 1.00 0.00 O ATOM 664 CB LYS A 44 -5.435 -8.381 -3.301 1.00 0.00 C ATOM 665 CG LYS A 44 -5.689 -9.504 -2.280 1.00 0.00 C ATOM 666 CD LYS A 44 -4.891 -10.770 -2.595 1.00 0.00 C ATOM 667 CE LYS A 44 -5.546 -11.618 -3.683 1.00 0.00 C ATOM 668 NZ LYS A 44 -4.759 -12.846 -3.978 1.00 0.00 N ATOM 0 H LYS A 44 -6.689 -7.097 -1.001 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.826 -6.234 -3.636 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.694 -8.751 -4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.368 -8.159 -3.312 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.426 -9.151 -1.283 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.752 -9.743 -2.264 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.885 -10.493 -2.911 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.787 -11.365 -1.688 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.552 -11.898 -3.369 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.649 -11.026 -4.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.237 -13.394 -4.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.807 -12.579 -4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.682 -13.424 -3.117 1.00 0.00 H new ATOM 682 N SER A 45 -8.666 -6.801 -2.748 1.00 0.00 N ATOM 683 CA SER A 45 -10.072 -6.967 -3.177 1.00 0.00 C ATOM 684 C SER A 45 -10.985 -5.859 -2.639 1.00 0.00 C ATOM 685 O SER A 45 -10.561 -5.024 -1.836 1.00 0.00 O ATOM 686 CB SER A 45 -10.594 -8.351 -2.735 1.00 0.00 C ATOM 687 OG SER A 45 -11.874 -8.626 -3.284 1.00 0.00 O ATOM 0 H SER A 45 -8.540 -6.340 -1.847 1.00 0.00 H new ATOM 0 HA SER A 45 -10.092 -6.895 -4.264 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.890 -9.123 -3.047 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.648 -8.390 -1.647 1.00 0.00 H new ATOM 0 HG SER A 45 -12.175 -9.510 -2.986 1.00 0.00 H new ATOM 693 N ALA A 46 -12.259 -5.882 -3.090 1.00 0.00 N ATOM 694 CA ALA A 46 -13.274 -4.915 -2.668 1.00 0.00 C ATOM 695 C ALA A 46 -13.656 -5.135 -1.208 1.00 0.00 C ATOM 696 O ALA A 46 -13.857 -4.180 -0.455 1.00 0.00 O ATOM 697 CB ALA A 46 -14.499 -5.002 -3.565 1.00 0.00 C ATOM 0 H ALA A 46 -12.603 -6.574 -3.756 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.853 -3.914 -2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.243 -4.276 -3.236 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.212 -4.787 -4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.921 -6.005 -3.508 1.00 0.00 H new ATOM 703 N GLU A 47 -13.704 -6.415 -0.821 1.00 0.00 N ATOM 704 CA GLU A 47 -14.003 -6.831 0.543 1.00 0.00 C ATOM 705 C GLU A 47 -12.835 -6.473 1.471 1.00 0.00 C ATOM 706 O GLU A 47 -13.015 -6.231 2.664 1.00 0.00 O ATOM 707 CB GLU A 47 -14.311 -8.339 0.577 1.00 0.00 C ATOM 708 CG GLU A 47 -13.239 -9.241 -0.038 1.00 0.00 C ATOM 709 CD GLU A 47 -13.599 -10.715 0.025 1.00 0.00 C ATOM 710 OE1 GLU A 47 -13.736 -11.248 1.147 1.00 0.00 O ATOM 711 OE2 GLU A 47 -13.744 -11.335 -1.049 1.00 0.00 O ATOM 0 H GLU A 47 -13.534 -7.194 -1.457 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.886 -6.300 0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.463 -8.638 1.614 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.252 -8.513 0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.083 -8.954 -1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.294 -9.080 0.482 1.00 0.00 H new ATOM 718 N ASP A 48 -11.648 -6.408 0.854 1.00 0.00 N ATOM 719 CA ASP A 48 -10.395 -6.046 1.500 1.00 0.00 C ATOM 720 C ASP A 48 -10.368 -4.552 1.796 1.00 0.00 C ATOM 721 O ASP A 48 -10.197 -4.103 2.928 1.00 0.00 O ATOM 722 CB ASP A 48 -9.265 -6.369 0.547 1.00 0.00 C ATOM 723 CG ASP A 48 -8.947 -7.852 0.456 1.00 0.00 C ATOM 724 OD1 ASP A 48 -9.873 -8.648 0.191 1.00 0.00 O ATOM 725 OD2 ASP A 48 -7.767 -8.215 0.640 1.00 0.00 O ATOM 0 H ASP A 48 -11.538 -6.614 -0.139 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.293 -6.597 2.435 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.522 -6.000 -0.446 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.370 -5.833 0.864 1.00 0.00 H new ATOM 730 N CYS A 49 -10.562 -3.813 0.719 1.00 0.00 N ATOM 731 CA CYS A 49 -10.611 -2.359 0.701 1.00 0.00 C ATOM 732 C CYS A 49 -11.692 -1.831 1.652 1.00 0.00 C ATOM 733 O CYS A 49 -11.502 -0.819 2.343 1.00 0.00 O ATOM 734 CB CYS A 49 -10.941 -1.978 -0.730 1.00 0.00 C ATOM 735 SG CYS A 49 -10.424 -0.309 -1.234 1.00 0.00 S ATOM 0 H CYS A 49 -10.695 -4.224 -0.205 1.00 0.00 H new ATOM 0 HA CYS A 49 -9.665 -1.929 1.032 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.473 -2.702 -1.397 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -12.018 -2.064 -0.871 1.00 0.00 H new ATOM 740 N MET A 50 -12.822 -2.555 1.674 1.00 0.00 N ATOM 741 CA MET A 50 -13.972 -2.226 2.510 1.00 0.00 C ATOM 742 C MET A 50 -13.747 -2.587 3.982 1.00 0.00 C ATOM 743 O MET A 50 -14.048 -1.788 4.870 1.00 0.00 O ATOM 744 CB MET A 50 -15.207 -2.932 1.978 1.00 0.00 C ATOM 745 CG MET A 50 -15.862 -2.226 0.796 1.00 0.00 C ATOM 746 SD MET A 50 -17.329 -3.082 0.176 1.00 0.00 S ATOM 747 CE MET A 50 -18.527 -2.746 1.469 1.00 0.00 C ATOM 0 H MET A 50 -12.958 -3.391 1.105 1.00 0.00 H new ATOM 0 HA MET A 50 -14.114 -1.146 2.466 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.934 -3.944 1.678 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.936 -3.024 2.783 1.00 0.00 H new ATOM 0 HG2 MET A 50 -16.139 -1.215 1.094 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.135 -2.133 -0.011 1.00 0.00 H new ATOM 0 HE1 MET A 50 -19.508 -3.107 1.159 1.00 0.00 H new ATOM 0 HE2 MET A 50 -18.226 -3.254 2.385 1.00 0.00 H new ATOM 0 HE3 MET A 50 -18.576 -1.672 1.649 1.00 0.00 H new ATOM 757 N ARG A 51 -13.210 -3.791 4.231 1.00 0.00 N ATOM 758 CA ARG A 51 -12.936 -4.265 5.597 1.00 0.00 C ATOM 759 C ARG A 51 -11.935 -3.358 6.326 1.00 0.00 C ATOM 760 O ARG A 51 -12.030 -3.159 7.541 1.00 0.00 O ATOM 761 CB ARG A 51 -12.408 -5.713 5.566 1.00 0.00 C ATOM 762 CG ARG A 51 -11.028 -5.877 4.934 1.00 0.00 C ATOM 763 CD ARG A 51 -10.711 -7.318 4.614 1.00 0.00 C ATOM 764 NE ARG A 51 -9.355 -7.471 4.064 1.00 0.00 N ATOM 765 CZ ARG A 51 -8.766 -8.656 3.833 1.00 0.00 C ATOM 766 NH1 ARG A 51 -9.394 -9.799 4.104 1.00 0.00 N ATOM 767 NH2 ARG A 51 -7.543 -8.699 3.328 1.00 0.00 N ATOM 0 H ARG A 51 -12.956 -4.457 3.501 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.876 -4.234 6.148 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.372 -6.094 6.587 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.119 -6.333 5.019 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.977 -5.285 4.020 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.271 -5.483 5.612 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.807 -7.920 5.517 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.439 -7.700 3.898 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.830 -6.625 3.844 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.337 -9.783 4.493 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.932 -10.690 3.922 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.049 -7.833 3.115 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.095 -9.598 3.152 1.00 0.00 H new ATOM 781 N THR A 52 -10.961 -2.848 5.560 1.00 0.00 N ATOM 782 CA THR A 52 -9.910 -1.998 6.097 1.00 0.00 C ATOM 783 C THR A 52 -10.377 -0.540 6.305 1.00 0.00 C ATOM 784 O THR A 52 -10.221 0.003 7.403 1.00 0.00 O ATOM 785 CB THR A 52 -8.665 -2.031 5.207 1.00 0.00 C ATOM 786 OG1 THR A 52 -8.394 -3.352 4.771 1.00 0.00 O ATOM 787 CG2 THR A 52 -7.410 -1.517 5.902 1.00 0.00 C ATOM 0 H THR A 52 -10.887 -3.017 4.557 1.00 0.00 H new ATOM 0 HA THR A 52 -9.656 -2.403 7.076 1.00 0.00 H new ATOM 0 HB THR A 52 -8.896 -1.373 4.369 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.425 -3.493 4.737 1.00 0.00 H new ATOM 0 HG21 THR A 52 -6.566 -1.569 5.214 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.563 -0.483 6.212 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.202 -2.131 6.778 1.00 0.00 H new ATOM 795 N CYS A 53 -10.917 0.095 5.241 1.00 0.00 N ATOM 796 CA CYS A 53 -11.359 1.502 5.324 1.00 0.00 C ATOM 797 C CYS A 53 -12.746 1.754 4.714 1.00 0.00 C ATOM 798 O CYS A 53 -13.235 2.891 4.736 1.00 0.00 O ATOM 799 CB CYS A 53 -10.330 2.409 4.644 1.00 0.00 C ATOM 800 SG CYS A 53 -8.823 2.680 5.624 1.00 0.00 S ATOM 0 H CYS A 53 -11.055 -0.338 4.328 1.00 0.00 H new ATOM 0 HA CYS A 53 -11.440 1.734 6.386 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.054 1.972 3.684 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.793 3.373 4.434 1.00 0.00 H new ATOM 805 N GLY A 54 -13.378 0.705 4.179 1.00 0.00 N ATOM 806 CA GLY A 54 -14.704 0.843 3.570 1.00 0.00 C ATOM 807 C GLY A 54 -15.830 0.983 4.587 1.00 0.00 C ATOM 808 O GLY A 54 -16.724 1.817 4.413 1.00 0.00 O ATOM 0 H GLY A 54 -12.997 -0.241 4.155 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.705 1.715 2.916 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.899 -0.026 2.942 1.00 0.00 H new ATOM 812 N GLY A 55 -15.780 0.166 5.645 1.00 0.00 N ATOM 813 CA GLY A 55 -16.799 0.204 6.685 1.00 0.00 C ATOM 814 C GLY A 55 -16.298 -0.337 8.008 1.00 0.00 C ATOM 815 O GLY A 55 -16.702 -1.424 8.431 1.00 0.00 O ATOM 0 H GLY A 55 -15.045 -0.525 5.798 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.137 1.231 6.821 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.664 -0.376 6.363 1.00 0.00 H new ATOM 819 N ALA A 56 -15.414 0.426 8.658 1.00 0.00 N ATOM 820 CA ALA A 56 -14.842 0.035 9.946 1.00 0.00 C ATOM 821 C ALA A 56 -15.444 0.851 11.084 1.00 0.00 C ATOM 822 O ALA A 56 -15.715 0.263 12.153 1.00 0.00 O ATOM 823 CB ALA A 56 -13.329 0.196 9.921 1.00 0.00 C ATOM 824 OXT ALA A 56 -15.639 2.070 10.899 1.00 0.00 O ATOM 0 H ALA A 56 -15.078 1.324 8.309 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.082 -1.014 10.120 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.916 -0.098 10.886 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.909 -0.436 9.138 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.077 1.237 9.721 1.00 0.00 H new TER 830 ALA A 56