USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 495 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 NoAdj-H: A 28 HIS HD1 : A 28 HIS ND1 : A 67 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl -147:sc= -0.351 (180deg=-1.97!) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.0404 (180deg=-0.265) USER MOD Single : A 4 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.55) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 94:sc= -1.81! USER MOD Single : A 12 THR OG1 : rot -130:sc= -0.229 USER MOD Single : A 13 LYS NZ :NH3+ 164:sc= -2.38! (180deg=-4.77!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.349 K(o=-0.35,f=-3.2!) USER MOD Single : A 18 SER OG : rot -59:sc= 0.944 USER MOD Single : A 20 LYS NZ :NH3+ -122:sc= -0.0124 (180deg=-0.213) USER MOD Single : A 22 MET CE :methyl -133:sc= -1.51 (180deg=-3.53!) USER MOD Single : A 24 ASN : amide:sc= -13.6! C(o=-14!,f=-15!) USER MOD Single : A 29 THR OG1 : rot 10:sc= 0.376 USER MOD Single : A 33 SER OG : rot -170:sc= -0.96 USER MOD Single : A 45 ASN : amide:sc= -0.115 K(o=-0.11,f=-1.7!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.88! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -36:sc= 1.42 USER MOD Single : A 57 ASN : amide:sc= -15! C(o=-15!,f=-20!) USER MOD Single : A 61 GLN : amide:sc= -2.13 K(o=-2.1,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.688 -6.202 -6.803 1.00 0.00 N ATOM 2 CA MET A 1 -8.888 -5.622 -7.471 1.00 0.00 C ATOM 3 C MET A 1 -9.926 -5.204 -6.426 1.00 0.00 C ATOM 4 O MET A 1 -9.943 -5.708 -5.320 1.00 0.00 O ATOM 5 CB MET A 1 -9.434 -6.746 -8.351 1.00 0.00 C ATOM 6 CG MET A 1 -8.614 -6.831 -9.639 1.00 0.00 C ATOM 7 SD MET A 1 -8.922 -5.361 -10.649 1.00 0.00 S ATOM 8 CE MET A 1 -10.686 -5.645 -10.931 1.00 0.00 C ATOM 0 H1 MET A 1 -6.904 -5.520 -6.844 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.912 -6.413 -5.809 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.410 -7.079 -7.289 1.00 0.00 H new ATOM 0 HA MET A 1 -8.647 -4.731 -8.051 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.390 -7.695 -7.816 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.482 -6.561 -8.586 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.553 -6.907 -9.403 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.882 -7.730 -10.195 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.962 -5.272 -11.917 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.896 -6.713 -10.876 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.265 -5.122 -10.170 1.00 0.00 H new ATOM 20 N ASP A 2 -10.792 -4.290 -6.766 1.00 0.00 N ATOM 21 CA ASP A 2 -11.826 -3.845 -5.789 1.00 0.00 C ATOM 22 C ASP A 2 -12.475 -5.061 -5.120 1.00 0.00 C ATOM 23 O ASP A 2 -12.999 -4.974 -4.027 1.00 0.00 O ATOM 24 CB ASP A 2 -12.853 -3.075 -6.621 1.00 0.00 C ATOM 25 CG ASP A 2 -14.153 -2.929 -5.826 1.00 0.00 C ATOM 26 OD1 ASP A 2 -14.779 -3.942 -5.560 1.00 0.00 O ATOM 27 OD2 ASP A 2 -14.500 -1.806 -5.498 1.00 0.00 O ATOM 0 H ASP A 2 -10.829 -3.832 -7.677 1.00 0.00 H new ATOM 0 HA ASP A 2 -11.407 -3.230 -4.993 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.462 -2.091 -6.881 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.044 -3.600 -7.557 1.00 0.00 H new ATOM 32 N ASP A 3 -12.442 -6.194 -5.768 1.00 0.00 N ATOM 33 CA ASP A 3 -13.055 -7.414 -5.168 1.00 0.00 C ATOM 34 C ASP A 3 -12.229 -7.890 -3.970 1.00 0.00 C ATOM 35 O ASP A 3 -12.751 -8.454 -3.029 1.00 0.00 O ATOM 36 CB ASP A 3 -13.030 -8.460 -6.284 1.00 0.00 C ATOM 37 CG ASP A 3 -13.849 -7.957 -7.474 1.00 0.00 C ATOM 38 OD1 ASP A 3 -13.570 -6.864 -7.941 1.00 0.00 O ATOM 39 OD2 ASP A 3 -14.741 -8.671 -7.899 1.00 0.00 O ATOM 0 H ASP A 3 -12.018 -6.328 -6.686 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.065 -7.229 -4.803 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.003 -8.654 -6.592 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.438 -9.404 -5.921 1.00 0.00 H new ATOM 44 N GLN A 4 -10.943 -7.666 -3.995 1.00 0.00 N ATOM 45 CA GLN A 4 -10.087 -8.107 -2.855 1.00 0.00 C ATOM 46 C GLN A 4 -10.206 -7.117 -1.694 1.00 0.00 C ATOM 47 O GLN A 4 -10.770 -7.422 -0.662 1.00 0.00 O ATOM 48 CB GLN A 4 -8.662 -8.123 -3.410 1.00 0.00 C ATOM 49 CG GLN A 4 -7.838 -9.182 -2.675 1.00 0.00 C ATOM 50 CD GLN A 4 -8.546 -10.536 -2.763 1.00 0.00 C ATOM 51 OE1 GLN A 4 -8.750 -11.060 -3.840 1.00 0.00 O ATOM 52 NE2 GLN A 4 -8.931 -11.129 -1.666 1.00 0.00 N ATOM 0 H GLN A 4 -10.448 -7.197 -4.754 1.00 0.00 H new ATOM 0 HA GLN A 4 -10.381 -9.083 -2.469 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -8.679 -8.338 -4.478 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.203 -7.142 -3.290 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -6.843 -9.252 -3.114 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.707 -8.896 -1.631 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.760 -10.689 -0.762 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.403 -12.032 -1.713 1.00 0.00 H new ATOM 61 N GLY A 5 -9.682 -5.931 -1.851 1.00 0.00 N ATOM 62 CA GLY A 5 -9.772 -4.929 -0.751 1.00 0.00 C ATOM 63 C GLY A 5 -8.383 -4.671 -0.165 1.00 0.00 C ATOM 64 O GLY A 5 -7.773 -5.555 0.401 1.00 0.00 O ATOM 0 H GLY A 5 -9.197 -5.614 -2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.195 -3.998 -1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.443 -5.291 0.028 1.00 0.00 H new ATOM 68 N CYS A 6 -7.885 -3.464 -0.299 1.00 0.00 N ATOM 69 CA CYS A 6 -6.538 -3.125 0.250 1.00 0.00 C ATOM 70 C CYS A 6 -6.233 -3.930 1.528 1.00 0.00 C ATOM 71 O CYS A 6 -7.128 -4.292 2.266 1.00 0.00 O ATOM 72 CB CYS A 6 -6.647 -1.625 0.568 1.00 0.00 C ATOM 73 SG CYS A 6 -5.633 -1.214 2.012 1.00 0.00 S ATOM 0 H CYS A 6 -8.361 -2.694 -0.770 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.732 -3.360 -0.445 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.322 -1.039 -0.292 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.687 -1.361 0.758 1.00 0.00 H new ATOM 78 N PRO A 7 -4.961 -4.150 1.755 1.00 0.00 N ATOM 79 CA PRO A 7 -4.503 -4.873 2.958 1.00 0.00 C ATOM 80 C PRO A 7 -4.184 -3.882 4.089 1.00 0.00 C ATOM 81 O PRO A 7 -4.682 -3.997 5.191 1.00 0.00 O ATOM 82 CB PRO A 7 -3.223 -5.545 2.481 1.00 0.00 C ATOM 83 CG PRO A 7 -2.718 -4.697 1.345 1.00 0.00 C ATOM 84 CD PRO A 7 -3.831 -3.766 0.912 1.00 0.00 C ATOM 0 HA PRO A 7 -5.244 -5.569 3.352 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.488 -5.602 3.284 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -3.416 -6.566 2.152 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.845 -4.124 1.658 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -2.404 -5.326 0.512 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.558 -2.721 1.062 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.063 -3.887 -0.146 1.00 0.00 H new ATOM 92 N ARG A 8 -3.336 -2.919 3.819 1.00 0.00 N ATOM 93 CA ARG A 8 -2.953 -1.922 4.869 1.00 0.00 C ATOM 94 C ARG A 8 -4.143 -1.031 5.248 1.00 0.00 C ATOM 95 O ARG A 8 -4.686 -1.124 6.331 1.00 0.00 O ATOM 96 CB ARG A 8 -1.845 -1.075 4.223 1.00 0.00 C ATOM 97 CG ARG A 8 -0.870 -0.598 5.297 1.00 0.00 C ATOM 98 CD ARG A 8 0.558 -0.864 4.829 1.00 0.00 C ATOM 99 NE ARG A 8 1.290 -1.309 6.047 1.00 0.00 N ATOM 100 CZ ARG A 8 1.361 -0.524 7.088 1.00 0.00 C ATOM 101 NH1 ARG A 8 1.098 0.748 6.966 1.00 0.00 N ATOM 102 NH2 ARG A 8 1.694 -1.014 8.251 1.00 0.00 N ATOM 0 H ARG A 8 -2.890 -2.780 2.912 1.00 0.00 H new ATOM 0 HA ARG A 8 -2.627 -2.411 5.787 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.316 -1.662 3.473 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.282 -0.219 3.708 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.011 0.466 5.487 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.061 -1.118 6.236 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.582 -1.629 4.053 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.008 0.034 4.405 1.00 0.00 H new ATOM 0 HE ARG A 8 1.736 -2.226 6.068 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.837 1.130 6.057 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.154 1.361 7.780 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.898 -2.009 8.346 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.750 -0.402 9.065 1.00 0.00 H new ATOM 116 N CYS A 9 -4.538 -0.163 4.361 1.00 0.00 N ATOM 117 CA CYS A 9 -5.693 0.758 4.657 1.00 0.00 C ATOM 118 C CYS A 9 -6.982 0.251 4.007 1.00 0.00 C ATOM 119 O CYS A 9 -7.615 0.970 3.266 1.00 0.00 O ATOM 120 CB CYS A 9 -5.354 2.142 4.058 1.00 0.00 C ATOM 121 SG CYS A 9 -3.936 2.114 2.906 1.00 0.00 S ATOM 0 H CYS A 9 -4.117 -0.044 3.440 1.00 0.00 H new ATOM 0 HA CYS A 9 -5.846 0.809 5.735 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -6.229 2.526 3.534 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -5.138 2.837 4.870 1.00 0.00 H new ATOM 126 N LYS A 10 -7.348 -0.986 4.245 1.00 0.00 N ATOM 127 CA LYS A 10 -8.580 -1.558 3.604 1.00 0.00 C ATOM 128 C LYS A 10 -9.661 -0.485 3.406 1.00 0.00 C ATOM 129 O LYS A 10 -10.512 -0.274 4.246 1.00 0.00 O ATOM 130 CB LYS A 10 -9.056 -2.653 4.564 1.00 0.00 C ATOM 131 CG LYS A 10 -9.638 -2.023 5.829 1.00 0.00 C ATOM 132 CD LYS A 10 -9.461 -2.984 7.006 1.00 0.00 C ATOM 133 CE LYS A 10 -7.970 -3.220 7.255 1.00 0.00 C ATOM 134 NZ LYS A 10 -7.825 -3.238 8.738 1.00 0.00 N ATOM 0 H LYS A 10 -6.846 -1.628 4.858 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.371 -1.951 2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.809 -3.273 4.077 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.224 -3.307 4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.139 -1.077 6.040 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.695 -1.800 5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.928 -2.571 7.900 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.959 -3.930 6.794 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.640 -4.161 6.815 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.365 -2.430 6.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.828 -3.396 8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.140 -2.327 9.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.406 -4.004 9.134 1.00 0.00 H new ATOM 148 N THR A 11 -9.628 0.200 2.293 1.00 0.00 N ATOM 149 CA THR A 11 -10.650 1.262 2.049 1.00 0.00 C ATOM 150 C THR A 11 -10.449 1.956 0.690 1.00 0.00 C ATOM 151 O THR A 11 -11.004 3.010 0.448 1.00 0.00 O ATOM 152 CB THR A 11 -10.424 2.274 3.176 1.00 0.00 C ATOM 153 OG1 THR A 11 -11.641 2.958 3.446 1.00 0.00 O ATOM 154 CG2 THR A 11 -9.352 3.281 2.746 1.00 0.00 C ATOM 0 H THR A 11 -8.944 0.072 1.547 1.00 0.00 H new ATOM 0 HA THR A 11 -11.656 0.843 2.032 1.00 0.00 H new ATOM 0 HB THR A 11 -10.093 1.755 4.075 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.115 2.506 4.175 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.189 4.003 3.546 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.421 2.754 2.537 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.683 3.803 1.848 1.00 0.00 H new ATOM 162 N THR A 12 -9.646 1.423 -0.179 1.00 0.00 N ATOM 163 CA THR A 12 -9.423 2.117 -1.472 1.00 0.00 C ATOM 164 C THR A 12 -10.269 1.481 -2.571 1.00 0.00 C ATOM 165 O THR A 12 -11.472 1.481 -2.480 1.00 0.00 O ATOM 166 CB THR A 12 -7.927 1.973 -1.716 1.00 0.00 C ATOM 167 OG1 THR A 12 -7.518 0.646 -1.418 1.00 0.00 O ATOM 168 CG2 THR A 12 -7.207 2.956 -0.801 1.00 0.00 C ATOM 0 H THR A 12 -9.139 0.547 -0.054 1.00 0.00 H new ATOM 0 HA THR A 12 -9.721 3.166 -1.462 1.00 0.00 H new ATOM 0 HB THR A 12 -7.688 2.182 -2.759 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.739 0.669 -0.824 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.131 2.875 -0.955 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.531 3.971 -1.031 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.444 2.726 0.238 1.00 0.00 H new ATOM 176 N LYS A 13 -9.666 0.964 -3.607 1.00 0.00 N ATOM 177 CA LYS A 13 -10.476 0.349 -4.709 1.00 0.00 C ATOM 178 C LYS A 13 -11.752 -0.310 -4.155 1.00 0.00 C ATOM 179 O LYS A 13 -12.788 -0.283 -4.789 1.00 0.00 O ATOM 180 CB LYS A 13 -9.600 -0.689 -5.429 1.00 0.00 C ATOM 181 CG LYS A 13 -8.282 -0.980 -4.704 1.00 0.00 C ATOM 182 CD LYS A 13 -8.536 -1.557 -3.305 1.00 0.00 C ATOM 183 CE LYS A 13 -9.232 -2.916 -3.421 1.00 0.00 C ATOM 184 NZ LYS A 13 -8.570 -3.603 -4.566 1.00 0.00 N ATOM 0 H LYS A 13 -8.655 0.938 -3.742 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.790 1.123 -5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.161 -1.617 -5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.382 -0.333 -6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.690 -1.684 -5.289 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.698 -0.063 -4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.593 -1.666 -2.770 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.153 -0.871 -2.725 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.125 -3.492 -2.502 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.301 -2.796 -3.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.794 -4.618 -4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.913 -3.197 -5.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.540 -3.474 -4.500 1.00 0.00 H new ATOM 198 N TYR A 14 -11.707 -0.860 -2.966 1.00 0.00 N ATOM 199 CA TYR A 14 -12.945 -1.457 -2.389 1.00 0.00 C ATOM 200 C TYR A 14 -13.949 -0.329 -2.176 1.00 0.00 C ATOM 201 O TYR A 14 -15.068 -0.369 -2.647 1.00 0.00 O ATOM 202 CB TYR A 14 -12.518 -2.092 -1.063 1.00 0.00 C ATOM 203 CG TYR A 14 -13.556 -3.105 -0.636 1.00 0.00 C ATOM 204 CD1 TYR A 14 -14.906 -2.742 -0.567 1.00 0.00 C ATOM 205 CD2 TYR A 14 -13.165 -4.409 -0.311 1.00 0.00 C ATOM 206 CE1 TYR A 14 -15.864 -3.683 -0.172 1.00 0.00 C ATOM 207 CE2 TYR A 14 -14.124 -5.350 0.083 1.00 0.00 C ATOM 208 CZ TYR A 14 -15.474 -4.987 0.153 1.00 0.00 C ATOM 209 OH TYR A 14 -16.419 -5.914 0.541 1.00 0.00 O ATOM 0 H TYR A 14 -10.876 -0.920 -2.378 1.00 0.00 H new ATOM 0 HA TYR A 14 -13.411 -2.207 -3.028 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -11.547 -2.574 -1.174 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.407 -1.324 -0.298 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -15.208 -1.736 -0.818 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -12.123 -4.689 -0.364 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -16.905 -3.402 -0.118 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -13.822 -6.356 0.333 1.00 0.00 H new ATOM 0 HH TYR A 14 -15.980 -6.770 0.729 1.00 0.00 H new ATOM 219 N ARG A 15 -13.520 0.704 -1.516 1.00 0.00 N ATOM 220 CA ARG A 15 -14.388 1.889 -1.307 1.00 0.00 C ATOM 221 C ARG A 15 -14.176 2.818 -2.498 1.00 0.00 C ATOM 222 O ARG A 15 -15.056 3.043 -3.304 1.00 0.00 O ATOM 223 CB ARG A 15 -13.864 2.515 -0.021 1.00 0.00 C ATOM 224 CG ARG A 15 -14.757 2.091 1.141 1.00 0.00 C ATOM 225 CD ARG A 15 -13.950 1.217 2.101 1.00 0.00 C ATOM 226 NE ARG A 15 -13.433 0.080 1.275 1.00 0.00 N ATOM 227 CZ ARG A 15 -13.782 -1.141 1.576 1.00 0.00 C ATOM 228 NH1 ARG A 15 -15.042 -1.435 1.747 1.00 0.00 N ATOM 229 NH2 ARG A 15 -12.871 -2.064 1.717 1.00 0.00 N ATOM 0 H ARG A 15 -12.589 0.779 -1.106 1.00 0.00 H new ATOM 0 HA ARG A 15 -15.453 1.668 -1.230 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -12.837 2.199 0.160 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -13.852 3.601 -0.109 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.138 2.969 1.662 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -15.622 1.541 0.769 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -13.131 1.780 2.549 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -14.573 0.855 2.919 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.814 0.258 0.484 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -15.753 -0.711 1.645 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -15.316 -2.389 1.982 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.886 -1.831 1.592 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.144 -3.018 1.952 1.00 0.00 H new ATOM 243 N ASN A 16 -12.974 3.303 -2.632 1.00 0.00 N ATOM 244 CA ASN A 16 -12.622 4.163 -3.786 1.00 0.00 C ATOM 245 C ASN A 16 -12.835 3.354 -5.071 1.00 0.00 C ATOM 246 O ASN A 16 -12.405 2.227 -5.155 1.00 0.00 O ATOM 247 CB ASN A 16 -11.132 4.458 -3.580 1.00 0.00 C ATOM 248 CG ASN A 16 -10.927 5.929 -3.225 1.00 0.00 C ATOM 249 OD1 ASN A 16 -11.875 6.679 -3.102 1.00 0.00 O ATOM 250 ND2 ASN A 16 -9.711 6.372 -3.054 1.00 0.00 N ATOM 0 H ASN A 16 -12.210 3.135 -1.977 1.00 0.00 H new ATOM 0 HA ASN A 16 -13.215 5.075 -3.861 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.736 3.826 -2.785 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.577 4.215 -4.486 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.554 7.351 -2.816 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.918 5.739 -3.158 1.00 0.00 H new ATOM 257 N PRO A 17 -13.503 3.936 -6.023 1.00 0.00 N ATOM 258 CA PRO A 17 -13.763 3.219 -7.291 1.00 0.00 C ATOM 259 C PRO A 17 -12.550 3.300 -8.223 1.00 0.00 C ATOM 260 O PRO A 17 -11.833 2.335 -8.398 1.00 0.00 O ATOM 261 CB PRO A 17 -14.956 3.965 -7.878 1.00 0.00 C ATOM 262 CG PRO A 17 -14.898 5.346 -7.287 1.00 0.00 C ATOM 263 CD PRO A 17 -14.079 5.281 -6.017 1.00 0.00 C ATOM 0 HA PRO A 17 -13.955 2.155 -7.150 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.899 4.001 -8.966 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.893 3.469 -7.624 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.449 6.044 -7.994 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -15.903 5.711 -7.073 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.302 6.046 -6.006 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.699 5.444 -5.136 1.00 0.00 H new ATOM 271 N SER A 18 -12.312 4.438 -8.821 1.00 0.00 N ATOM 272 CA SER A 18 -11.139 4.566 -9.736 1.00 0.00 C ATOM 273 C SER A 18 -9.846 4.414 -8.935 1.00 0.00 C ATOM 274 O SER A 18 -9.079 5.345 -8.788 1.00 0.00 O ATOM 275 CB SER A 18 -11.247 5.972 -10.326 1.00 0.00 C ATOM 276 OG SER A 18 -10.025 6.304 -10.972 1.00 0.00 O ATOM 0 H SER A 18 -12.876 5.281 -8.716 1.00 0.00 H new ATOM 0 HA SER A 18 -11.128 3.804 -10.515 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.072 6.018 -11.037 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.464 6.694 -9.539 1.00 0.00 H new ATOM 0 HG SER A 18 -9.291 6.264 -10.324 1.00 0.00 H new ATOM 282 N LEU A 19 -9.613 3.251 -8.395 1.00 0.00 N ATOM 283 CA LEU A 19 -8.389 3.033 -7.577 1.00 0.00 C ATOM 284 C LEU A 19 -7.634 1.790 -8.052 1.00 0.00 C ATOM 285 O LEU A 19 -8.213 0.871 -8.597 1.00 0.00 O ATOM 286 CB LEU A 19 -8.927 2.808 -6.168 1.00 0.00 C ATOM 287 CG LEU A 19 -7.847 3.104 -5.137 1.00 0.00 C ATOM 288 CD1 LEU A 19 -6.767 2.023 -5.207 1.00 0.00 C ATOM 289 CD2 LEU A 19 -7.243 4.479 -5.419 1.00 0.00 C ATOM 0 H LEU A 19 -10.222 2.438 -8.486 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.690 3.867 -7.642 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.791 3.450 -5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.268 1.778 -6.062 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.279 3.105 -4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.993 2.234 -4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.212 1.050 -4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.325 2.014 -6.204 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.469 4.694 -4.682 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.806 4.487 -6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.023 5.238 -5.359 1.00 0.00 H new ATOM 301 N LYS A 20 -6.346 1.747 -7.838 1.00 0.00 N ATOM 302 CA LYS A 20 -5.567 0.554 -8.269 1.00 0.00 C ATOM 303 C LYS A 20 -4.584 0.135 -7.174 1.00 0.00 C ATOM 304 O LYS A 20 -4.387 0.834 -6.199 1.00 0.00 O ATOM 305 CB LYS A 20 -4.821 0.988 -9.534 1.00 0.00 C ATOM 306 CG LYS A 20 -4.290 2.414 -9.363 1.00 0.00 C ATOM 307 CD LYS A 20 -5.399 3.414 -9.694 1.00 0.00 C ATOM 308 CE LYS A 20 -5.106 4.070 -11.045 1.00 0.00 C ATOM 309 NZ LYS A 20 -4.011 5.041 -10.772 1.00 0.00 N ATOM 0 H LYS A 20 -5.804 2.483 -7.386 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.210 -0.306 -8.459 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.995 0.305 -9.732 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.488 0.940 -10.395 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.943 2.564 -8.341 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.433 2.575 -10.017 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.363 2.907 -9.725 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.463 4.174 -8.915 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.802 3.330 -11.785 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.989 4.572 -11.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.318 5.996 -11.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.780 5.028 -9.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.169 4.778 -11.322 1.00 0.00 H new ATOM 323 N LEU A 21 -3.972 -1.010 -7.328 1.00 0.00 N ATOM 324 CA LEU A 21 -3.009 -1.490 -6.296 1.00 0.00 C ATOM 325 C LEU A 21 -1.600 -1.563 -6.878 1.00 0.00 C ATOM 326 O LEU A 21 -1.383 -2.118 -7.937 1.00 0.00 O ATOM 327 CB LEU A 21 -3.491 -2.894 -5.926 1.00 0.00 C ATOM 328 CG LEU A 21 -4.409 -2.818 -4.709 1.00 0.00 C ATOM 329 CD1 LEU A 21 -5.478 -1.755 -4.950 1.00 0.00 C ATOM 330 CD2 LEU A 21 -5.083 -4.175 -4.497 1.00 0.00 C ATOM 0 H LEU A 21 -4.098 -1.633 -8.125 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.970 -0.823 -5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.022 -3.340 -6.767 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.638 -3.537 -5.710 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.826 -2.558 -3.826 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.136 -1.698 -4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.000 -0.788 -5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.062 -2.020 -5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.739 -4.124 -3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.669 -4.432 -5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.322 -4.938 -4.332 1.00 0.00 H new ATOM 342 N MET A 22 -0.637 -1.020 -6.192 1.00 0.00 N ATOM 343 CA MET A 22 0.755 -1.079 -6.711 1.00 0.00 C ATOM 344 C MET A 22 1.528 -2.171 -5.978 1.00 0.00 C ATOM 345 O MET A 22 1.205 -2.539 -4.869 1.00 0.00 O ATOM 346 CB MET A 22 1.392 0.305 -6.474 1.00 0.00 C ATOM 347 CG MET A 22 0.343 1.330 -6.025 1.00 0.00 C ATOM 348 SD MET A 22 1.085 2.980 -5.991 1.00 0.00 S ATOM 349 CE MET A 22 -0.435 3.907 -5.666 1.00 0.00 C ATOM 0 H MET A 22 -0.752 -0.540 -5.299 1.00 0.00 H new ATOM 0 HA MET A 22 0.773 -1.318 -7.774 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.172 0.224 -5.717 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.871 0.649 -7.390 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.508 1.317 -6.706 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.035 1.070 -5.036 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.493 4.760 -6.343 1.00 0.00 H new ATOM 0 HE2 MET A 22 -1.297 3.259 -5.824 1.00 0.00 H new ATOM 0 HE3 MET A 22 -0.432 4.261 -4.635 1.00 0.00 H new ATOM 359 N VAL A 23 2.539 -2.706 -6.598 1.00 0.00 N ATOM 360 CA VAL A 23 3.322 -3.787 -5.944 1.00 0.00 C ATOM 361 C VAL A 23 4.730 -3.292 -5.612 1.00 0.00 C ATOM 362 O VAL A 23 5.268 -2.424 -6.270 1.00 0.00 O ATOM 363 CB VAL A 23 3.351 -4.917 -6.983 1.00 0.00 C ATOM 364 CG1 VAL A 23 4.652 -5.718 -6.871 1.00 0.00 C ATOM 365 CG2 VAL A 23 2.163 -5.851 -6.744 1.00 0.00 C ATOM 0 H VAL A 23 2.857 -2.441 -7.530 1.00 0.00 H new ATOM 0 HA VAL A 23 2.889 -4.118 -5.000 1.00 0.00 H new ATOM 0 HB VAL A 23 3.292 -4.480 -7.980 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.654 -6.514 -7.615 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.502 -5.058 -7.044 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.727 -6.153 -5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.179 -6.655 -7.479 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.229 -6.274 -5.742 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.234 -5.290 -6.840 1.00 0.00 H new ATOM 375 N ASN A 24 5.333 -3.843 -4.599 1.00 0.00 N ATOM 376 CA ASN A 24 6.709 -3.409 -4.232 1.00 0.00 C ATOM 377 C ASN A 24 7.671 -4.580 -4.400 1.00 0.00 C ATOM 378 O ASN A 24 7.520 -5.605 -3.768 1.00 0.00 O ATOM 379 CB ASN A 24 6.655 -2.981 -2.757 1.00 0.00 C ATOM 380 CG ASN A 24 5.227 -2.599 -2.347 1.00 0.00 C ATOM 381 OD1 ASN A 24 4.773 -2.959 -1.278 1.00 0.00 O ATOM 382 ND2 ASN A 24 4.498 -1.882 -3.155 1.00 0.00 N ATOM 0 H ASN A 24 4.935 -4.574 -4.009 1.00 0.00 H new ATOM 0 HA ASN A 24 7.053 -2.590 -4.864 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.013 -3.794 -2.125 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.322 -2.134 -2.596 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.547 -1.623 -2.890 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.878 -1.580 -4.052 1.00 0.00 H new ATOM 389 N VAL A 25 8.656 -4.432 -5.247 1.00 0.00 N ATOM 390 CA VAL A 25 9.641 -5.532 -5.471 1.00 0.00 C ATOM 391 C VAL A 25 8.941 -6.904 -5.380 1.00 0.00 C ATOM 392 O VAL A 25 8.373 -7.369 -6.347 1.00 0.00 O ATOM 393 CB VAL A 25 10.718 -5.335 -4.390 1.00 0.00 C ATOM 394 CG1 VAL A 25 10.089 -4.892 -3.061 1.00 0.00 C ATOM 395 CG2 VAL A 25 11.490 -6.635 -4.188 1.00 0.00 C ATOM 0 H VAL A 25 8.822 -3.589 -5.798 1.00 0.00 H new ATOM 0 HA VAL A 25 10.091 -5.505 -6.463 1.00 0.00 H new ATOM 0 HB VAL A 25 11.400 -4.553 -4.724 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.872 -4.760 -2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.562 -3.949 -3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.386 -5.652 -2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.252 -6.491 -3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 25 10.803 -7.421 -3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.968 -6.924 -5.124 1.00 0.00 H new ATOM 405 N CYS A 26 8.952 -7.551 -4.242 1.00 0.00 N ATOM 406 CA CYS A 26 8.261 -8.866 -4.137 1.00 0.00 C ATOM 407 C CYS A 26 6.814 -8.709 -4.578 1.00 0.00 C ATOM 408 O CYS A 26 5.981 -8.201 -3.854 1.00 0.00 O ATOM 409 CB CYS A 26 8.322 -9.252 -2.663 1.00 0.00 C ATOM 410 SG CYS A 26 7.813 -7.838 -1.656 1.00 0.00 S ATOM 0 H CYS A 26 9.407 -7.226 -3.389 1.00 0.00 H new ATOM 0 HA CYS A 26 8.725 -9.626 -4.765 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.670 -10.104 -2.471 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.334 -9.558 -2.396 1.00 0.00 H new ATOM 415 N GLY A 27 6.523 -9.130 -5.766 1.00 0.00 N ATOM 416 CA GLY A 27 5.134 -9.008 -6.298 1.00 0.00 C ATOM 417 C GLY A 27 4.112 -9.313 -5.199 1.00 0.00 C ATOM 418 O GLY A 27 3.724 -10.447 -5.002 1.00 0.00 O ATOM 0 H GLY A 27 7.191 -9.560 -6.406 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.973 -8.001 -6.684 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.996 -9.695 -7.133 1.00 0.00 H new ATOM 422 N HIS A 28 3.659 -8.311 -4.487 1.00 0.00 N ATOM 423 CA HIS A 28 2.651 -8.567 -3.420 1.00 0.00 C ATOM 424 C HIS A 28 1.408 -7.689 -3.638 1.00 0.00 C ATOM 425 O HIS A 28 0.601 -7.980 -4.497 1.00 0.00 O ATOM 426 CB HIS A 28 3.366 -8.283 -2.088 1.00 0.00 C ATOM 427 CG HIS A 28 3.768 -9.612 -1.504 1.00 0.00 C ATOM 428 ND1 HIS A 28 4.997 -9.867 -0.875 1.00 0.00 N ATOM 429 CD2 HIS A 28 3.093 -10.810 -1.497 1.00 0.00 C ATOM 430 CE1 HIS A 28 4.996 -11.173 -0.542 1.00 0.00 C ATOM 431 NE2 HIS A 28 3.869 -11.785 -0.895 1.00 0.00 N ATOM 0 H HIS A 28 3.942 -7.337 -4.599 1.00 0.00 H new ATOM 0 HA HIS A 28 2.283 -9.593 -3.429 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.241 -7.653 -2.248 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.707 -7.746 -1.405 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.104 -10.967 -1.901 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.818 -11.667 -0.045 1.00 0.00 H new ATOM 0 HE2 HIS A 28 3.628 -12.766 -0.752 1.00 0.00 H new ATOM 439 N THR A 29 1.224 -6.626 -2.891 1.00 0.00 N ATOM 440 CA THR A 29 0.003 -5.787 -3.111 1.00 0.00 C ATOM 441 C THR A 29 0.068 -4.489 -2.295 1.00 0.00 C ATOM 442 O THR A 29 0.365 -4.497 -1.120 1.00 0.00 O ATOM 443 CB THR A 29 -1.159 -6.663 -2.631 1.00 0.00 C ATOM 444 OG1 THR A 29 -1.492 -7.603 -3.642 1.00 0.00 O ATOM 445 CG2 THR A 29 -2.386 -5.796 -2.327 1.00 0.00 C ATOM 0 H THR A 29 1.852 -6.308 -2.153 1.00 0.00 H new ATOM 0 HA THR A 29 -0.101 -5.486 -4.154 1.00 0.00 H new ATOM 0 HB THR A 29 -0.855 -7.185 -1.723 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.806 -7.588 -4.342 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.205 -6.430 -1.987 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.138 -5.075 -1.548 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.689 -5.265 -3.230 1.00 0.00 H new ATOM 453 N LEU A 30 -0.226 -3.380 -2.916 1.00 0.00 N ATOM 454 CA LEU A 30 -0.197 -2.068 -2.197 1.00 0.00 C ATOM 455 C LEU A 30 -1.261 -1.144 -2.793 1.00 0.00 C ATOM 456 O LEU A 30 -1.019 -0.461 -3.765 1.00 0.00 O ATOM 457 CB LEU A 30 1.198 -1.525 -2.490 1.00 0.00 C ATOM 458 CG LEU A 30 1.658 -0.550 -1.410 1.00 0.00 C ATOM 459 CD1 LEU A 30 2.247 -1.318 -0.233 1.00 0.00 C ATOM 460 CD2 LEU A 30 2.728 0.351 -2.006 1.00 0.00 C ATOM 0 H LEU A 30 -0.488 -3.323 -3.900 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.398 -2.152 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.904 -2.352 -2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.198 -1.024 -3.458 1.00 0.00 H new ATOM 0 HG LEU A 30 0.812 0.040 -1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.573 -0.615 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.490 -1.983 0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.100 -1.906 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.072 1.057 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.568 -0.256 -2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.313 0.899 -2.852 1.00 0.00 H new ATOM 472 N CYS A 31 -2.436 -1.118 -2.232 1.00 0.00 N ATOM 473 CA CYS A 31 -3.499 -0.241 -2.799 1.00 0.00 C ATOM 474 C CYS A 31 -2.977 1.182 -2.972 1.00 0.00 C ATOM 475 O CYS A 31 -1.821 1.460 -2.727 1.00 0.00 O ATOM 476 CB CYS A 31 -4.660 -0.309 -1.795 1.00 0.00 C ATOM 477 SG CYS A 31 -4.655 1.118 -0.673 1.00 0.00 S ATOM 0 H CYS A 31 -2.706 -1.661 -1.412 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.821 -0.564 -3.789 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.607 -0.346 -2.334 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.587 -1.229 -1.215 1.00 0.00 H new ATOM 482 N GLU A 32 -3.816 2.093 -3.383 1.00 0.00 N ATOM 483 CA GLU A 32 -3.308 3.494 -3.544 1.00 0.00 C ATOM 484 C GLU A 32 -2.931 4.038 -2.161 1.00 0.00 C ATOM 485 O GLU A 32 -1.874 4.603 -1.969 1.00 0.00 O ATOM 486 CB GLU A 32 -4.456 4.304 -4.192 1.00 0.00 C ATOM 487 CG GLU A 32 -5.015 5.387 -3.247 1.00 0.00 C ATOM 488 CD GLU A 32 -3.950 6.462 -3.000 1.00 0.00 C ATOM 489 OE1 GLU A 32 -3.066 6.592 -3.831 1.00 0.00 O ATOM 490 OE2 GLU A 32 -4.039 7.134 -1.987 1.00 0.00 O ATOM 0 H GLU A 32 -4.799 1.942 -3.609 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.419 3.554 -4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.094 4.774 -5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.259 3.625 -4.479 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.906 5.838 -3.683 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.316 4.937 -2.301 1.00 0.00 H new ATOM 497 N SER A 33 -3.813 3.884 -1.215 1.00 0.00 N ATOM 498 CA SER A 33 -3.562 4.399 0.159 1.00 0.00 C ATOM 499 C SER A 33 -2.435 3.638 0.867 1.00 0.00 C ATOM 500 O SER A 33 -1.927 4.095 1.872 1.00 0.00 O ATOM 501 CB SER A 33 -4.882 4.190 0.899 1.00 0.00 C ATOM 502 OG SER A 33 -5.853 5.097 0.392 1.00 0.00 O ATOM 0 H SER A 33 -4.711 3.416 -1.338 1.00 0.00 H new ATOM 0 HA SER A 33 -3.245 5.442 0.134 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.225 3.163 0.772 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.742 4.349 1.968 1.00 0.00 H new ATOM 0 HG SER A 33 -6.648 5.078 0.964 1.00 0.00 H new ATOM 508 N CYS A 34 -2.016 2.498 0.379 1.00 0.00 N ATOM 509 CA CYS A 34 -0.912 1.800 1.093 1.00 0.00 C ATOM 510 C CYS A 34 0.388 2.566 0.849 1.00 0.00 C ATOM 511 O CYS A 34 1.055 2.987 1.765 1.00 0.00 O ATOM 512 CB CYS A 34 -0.828 0.392 0.501 1.00 0.00 C ATOM 513 SG CYS A 34 -2.033 -0.702 1.286 1.00 0.00 S ATOM 0 H CYS A 34 -2.378 2.035 -0.455 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.084 1.748 2.168 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.011 0.432 -0.573 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.177 -0.007 0.639 1.00 0.00 H new ATOM 518 N VAL A 35 0.735 2.767 -0.390 1.00 0.00 N ATOM 519 CA VAL A 35 1.981 3.522 -0.711 1.00 0.00 C ATOM 520 C VAL A 35 2.125 4.740 0.218 1.00 0.00 C ATOM 521 O VAL A 35 3.133 4.921 0.874 1.00 0.00 O ATOM 522 CB VAL A 35 1.783 3.961 -2.175 1.00 0.00 C ATOM 523 CG1 VAL A 35 2.441 5.318 -2.425 1.00 0.00 C ATOM 524 CG2 VAL A 35 2.410 2.933 -3.114 1.00 0.00 C ATOM 0 H VAL A 35 0.208 2.440 -1.200 1.00 0.00 H new ATOM 0 HA VAL A 35 2.885 2.929 -0.575 1.00 0.00 H new ATOM 0 HB VAL A 35 0.712 4.039 -2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.290 5.610 -3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.994 6.065 -1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.509 5.248 -2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.267 3.249 -4.147 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.476 2.851 -2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.935 1.964 -2.962 1.00 0.00 H new ATOM 534 N ASP A 36 1.138 5.590 0.244 1.00 0.00 N ATOM 535 CA ASP A 36 1.216 6.827 1.089 1.00 0.00 C ATOM 536 C ASP A 36 1.538 6.536 2.565 1.00 0.00 C ATOM 537 O ASP A 36 2.518 7.021 3.085 1.00 0.00 O ATOM 538 CB ASP A 36 -0.157 7.505 0.975 1.00 0.00 C ATOM 539 CG ASP A 36 -1.263 6.455 0.919 1.00 0.00 C ATOM 540 OD1 ASP A 36 -1.278 5.705 -0.038 1.00 0.00 O ATOM 541 OD2 ASP A 36 -2.074 6.421 1.831 1.00 0.00 O ATOM 0 H ASP A 36 0.272 5.486 -0.285 1.00 0.00 H new ATOM 0 HA ASP A 36 2.030 7.459 0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.316 8.165 1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.190 8.126 0.080 1.00 0.00 H new ATOM 546 N LEU A 37 0.714 5.805 3.265 1.00 0.00 N ATOM 547 CA LEU A 37 0.990 5.572 4.722 1.00 0.00 C ATOM 548 C LEU A 37 1.903 4.366 4.974 1.00 0.00 C ATOM 549 O LEU A 37 2.554 4.282 5.994 1.00 0.00 O ATOM 550 CB LEU A 37 -0.386 5.332 5.342 1.00 0.00 C ATOM 551 CG LEU A 37 -1.048 6.676 5.647 1.00 0.00 C ATOM 552 CD1 LEU A 37 -2.567 6.507 5.669 1.00 0.00 C ATOM 553 CD2 LEU A 37 -0.573 7.179 7.013 1.00 0.00 C ATOM 0 H LEU A 37 -0.130 5.362 2.902 1.00 0.00 H new ATOM 0 HA LEU A 37 1.517 6.422 5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.009 4.754 4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.288 4.747 6.256 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.775 7.397 4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.037 7.466 5.887 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.907 6.148 4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.842 5.786 6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.044 8.137 7.232 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.846 6.456 7.782 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.510 7.302 6.999 1.00 0.00 H new ATOM 565 N LEU A 38 1.945 3.433 4.077 1.00 0.00 N ATOM 566 CA LEU A 38 2.796 2.224 4.294 1.00 0.00 C ATOM 567 C LEU A 38 4.279 2.598 4.412 1.00 0.00 C ATOM 568 O LEU A 38 4.960 2.191 5.332 1.00 0.00 O ATOM 569 CB LEU A 38 2.550 1.355 3.047 1.00 0.00 C ATOM 570 CG LEU A 38 3.375 0.045 3.058 1.00 0.00 C ATOM 571 CD1 LEU A 38 4.084 -0.182 4.402 1.00 0.00 C ATOM 572 CD2 LEU A 38 2.443 -1.137 2.793 1.00 0.00 C ATOM 0 H LEU A 38 1.428 3.448 3.198 1.00 0.00 H new ATOM 0 HA LEU A 38 2.545 1.708 5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.490 1.111 2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.799 1.929 2.155 1.00 0.00 H new ATOM 0 HG LEU A 38 4.136 0.129 2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.650 -1.113 4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.763 0.647 4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.343 -0.242 5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.018 -2.063 2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.679 -1.179 3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.966 -1.013 1.821 1.00 0.00 H new ATOM 584 N PHE A 39 4.790 3.330 3.468 1.00 0.00 N ATOM 585 CA PHE A 39 6.238 3.685 3.495 1.00 0.00 C ATOM 586 C PHE A 39 6.528 4.974 4.268 1.00 0.00 C ATOM 587 O PHE A 39 7.545 5.080 4.926 1.00 0.00 O ATOM 588 CB PHE A 39 6.594 3.822 2.024 1.00 0.00 C ATOM 589 CG PHE A 39 6.274 2.510 1.359 1.00 0.00 C ATOM 590 CD1 PHE A 39 4.975 2.266 0.904 1.00 0.00 C ATOM 591 CD2 PHE A 39 7.260 1.523 1.229 1.00 0.00 C ATOM 592 CE1 PHE A 39 4.661 1.042 0.315 1.00 0.00 C ATOM 593 CE2 PHE A 39 6.943 0.291 0.642 1.00 0.00 C ATOM 594 CZ PHE A 39 5.639 0.050 0.185 1.00 0.00 C ATOM 0 H PHE A 39 4.268 3.701 2.674 1.00 0.00 H new ATOM 0 HA PHE A 39 6.831 2.933 4.016 1.00 0.00 H new ATOM 0 HB2 PHE A 39 6.027 4.633 1.566 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.650 4.065 1.906 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.215 3.026 1.009 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.263 1.712 1.581 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.658 0.859 -0.042 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.701 -0.472 0.542 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.390 -0.899 -0.266 1.00 0.00 H new ATOM 604 N VAL A 40 5.679 5.961 4.204 1.00 0.00 N ATOM 605 CA VAL A 40 5.994 7.213 4.959 1.00 0.00 C ATOM 606 C VAL A 40 6.393 6.853 6.389 1.00 0.00 C ATOM 607 O VAL A 40 7.185 7.534 7.010 1.00 0.00 O ATOM 608 CB VAL A 40 4.725 8.059 4.951 1.00 0.00 C ATOM 609 CG1 VAL A 40 4.460 8.570 3.535 1.00 0.00 C ATOM 610 CG2 VAL A 40 3.550 7.217 5.432 1.00 0.00 C ATOM 0 H VAL A 40 4.804 5.962 3.679 1.00 0.00 H new ATOM 0 HA VAL A 40 6.821 7.761 4.508 1.00 0.00 H new ATOM 0 HB VAL A 40 4.849 8.912 5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.553 9.174 3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.302 9.177 3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.335 7.723 2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.643 7.821 5.426 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.420 6.361 4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.745 6.865 6.445 1.00 0.00 H new ATOM 620 N ARG A 41 5.866 5.779 6.913 1.00 0.00 N ATOM 621 CA ARG A 41 6.243 5.380 8.298 1.00 0.00 C ATOM 622 C ARG A 41 7.738 5.063 8.333 1.00 0.00 C ATOM 623 O ARG A 41 8.523 5.771 8.931 1.00 0.00 O ATOM 624 CB ARG A 41 5.425 4.123 8.613 1.00 0.00 C ATOM 625 CG ARG A 41 3.980 4.303 8.145 1.00 0.00 C ATOM 626 CD ARG A 41 3.047 4.300 9.359 1.00 0.00 C ATOM 627 NE ARG A 41 2.296 3.017 9.263 1.00 0.00 N ATOM 628 CZ ARG A 41 2.923 1.882 9.417 1.00 0.00 C ATOM 629 NH1 ARG A 41 3.173 1.433 10.616 1.00 0.00 N ATOM 630 NH2 ARG A 41 3.297 1.196 8.371 1.00 0.00 N ATOM 0 H ARG A 41 5.197 5.166 6.447 1.00 0.00 H new ATOM 0 HA ARG A 41 6.045 6.168 9.025 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.869 3.258 8.121 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.446 3.925 9.685 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.878 5.239 7.597 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.706 3.501 7.460 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.610 4.359 10.290 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.372 5.155 9.340 1.00 0.00 H new ATOM 0 HE ARG A 41 1.293 3.025 9.077 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.879 1.968 11.433 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.663 0.546 10.737 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.099 1.547 7.434 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.787 0.309 8.491 1.00 0.00 H new ATOM 644 N GLY A 42 8.137 4.002 7.685 1.00 0.00 N ATOM 645 CA GLY A 42 9.580 3.638 7.667 1.00 0.00 C ATOM 646 C GLY A 42 9.994 3.181 6.261 1.00 0.00 C ATOM 647 O GLY A 42 11.120 2.777 6.050 1.00 0.00 O ATOM 0 H GLY A 42 7.524 3.372 7.167 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.182 4.494 7.971 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.771 2.842 8.387 1.00 0.00 H new ATOM 651 N ALA A 43 9.101 3.244 5.300 1.00 0.00 N ATOM 652 CA ALA A 43 9.457 2.811 3.912 1.00 0.00 C ATOM 653 C ALA A 43 10.372 1.582 3.945 1.00 0.00 C ATOM 654 O ALA A 43 11.578 1.700 4.032 1.00 0.00 O ATOM 655 CB ALA A 43 10.194 4.003 3.298 1.00 0.00 C ATOM 0 H ALA A 43 8.144 3.576 5.418 1.00 0.00 H new ATOM 0 HA ALA A 43 8.574 2.531 3.337 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.488 3.762 2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.537 4.873 3.290 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.083 4.225 3.889 1.00 0.00 H new ATOM 661 N GLY A 44 9.815 0.403 3.876 1.00 0.00 N ATOM 662 CA GLY A 44 10.668 -0.818 3.903 1.00 0.00 C ATOM 663 C GLY A 44 9.832 -2.034 4.311 1.00 0.00 C ATOM 664 O GLY A 44 10.202 -3.164 4.058 1.00 0.00 O ATOM 0 H GLY A 44 8.812 0.234 3.803 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.110 -0.984 2.921 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.491 -0.681 4.604 1.00 0.00 H new ATOM 668 N ASN A 45 8.713 -1.817 4.946 1.00 0.00 N ATOM 669 CA ASN A 45 7.867 -2.970 5.371 1.00 0.00 C ATOM 670 C ASN A 45 6.796 -3.272 4.318 1.00 0.00 C ATOM 671 O ASN A 45 5.821 -2.563 4.189 1.00 0.00 O ATOM 672 CB ASN A 45 7.217 -2.522 6.680 1.00 0.00 C ATOM 673 CG ASN A 45 8.241 -2.604 7.814 1.00 0.00 C ATOM 674 OD1 ASN A 45 9.336 -2.091 7.697 1.00 0.00 O ATOM 675 ND2 ASN A 45 7.931 -3.234 8.913 1.00 0.00 N ATOM 0 H ASN A 45 8.348 -0.896 5.188 1.00 0.00 H new ATOM 0 HA ASN A 45 8.452 -3.882 5.493 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.847 -1.501 6.584 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.357 -3.153 6.906 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.608 -3.296 9.674 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.012 -3.665 9.012 1.00 0.00 H new ATOM 682 N CYS A 46 6.968 -4.329 3.572 1.00 0.00 N ATOM 683 CA CYS A 46 5.956 -4.689 2.536 1.00 0.00 C ATOM 684 C CYS A 46 4.574 -4.772 3.174 1.00 0.00 C ATOM 685 O CYS A 46 4.438 -5.162 4.316 1.00 0.00 O ATOM 686 CB CYS A 46 6.393 -6.063 2.036 1.00 0.00 C ATOM 687 SG CYS A 46 5.235 -6.715 0.800 1.00 0.00 S ATOM 0 H CYS A 46 7.767 -4.960 3.635 1.00 0.00 H new ATOM 0 HA CYS A 46 5.897 -3.957 1.731 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.390 -5.994 1.602 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.458 -6.754 2.876 1.00 0.00 H new ATOM 692 N PRO A 47 3.592 -4.411 2.408 1.00 0.00 N ATOM 693 CA PRO A 47 2.185 -4.448 2.890 1.00 0.00 C ATOM 694 C PRO A 47 1.756 -5.868 3.282 1.00 0.00 C ATOM 695 O PRO A 47 0.692 -6.063 3.834 1.00 0.00 O ATOM 696 CB PRO A 47 1.399 -3.943 1.680 1.00 0.00 C ATOM 697 CG PRO A 47 2.293 -4.230 0.522 1.00 0.00 C ATOM 698 CD PRO A 47 3.671 -3.933 1.023 1.00 0.00 C ATOM 0 HA PRO A 47 2.026 -3.852 3.789 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.443 -4.457 1.583 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.182 -2.878 1.762 1.00 0.00 H new ATOM 0 HG2 PRO A 47 2.204 -5.268 0.200 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.041 -3.607 -0.337 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.437 -4.458 0.452 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.906 -2.870 0.969 1.00 0.00 H new ATOM 706 N GLU A 48 2.557 -6.863 3.007 1.00 0.00 N ATOM 707 CA GLU A 48 2.139 -8.252 3.385 1.00 0.00 C ATOM 708 C GLU A 48 3.316 -9.137 3.854 1.00 0.00 C ATOM 709 O GLU A 48 3.141 -9.967 4.725 1.00 0.00 O ATOM 710 CB GLU A 48 1.475 -8.826 2.129 1.00 0.00 C ATOM 711 CG GLU A 48 2.524 -9.427 1.193 1.00 0.00 C ATOM 712 CD GLU A 48 2.668 -10.924 1.478 1.00 0.00 C ATOM 713 OE1 GLU A 48 3.365 -11.264 2.420 1.00 0.00 O ATOM 714 OE2 GLU A 48 2.078 -11.705 0.751 1.00 0.00 O ATOM 0 H GLU A 48 3.464 -6.782 2.547 1.00 0.00 H new ATOM 0 HA GLU A 48 1.463 -8.229 4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.751 -9.590 2.411 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.925 -8.041 1.611 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.232 -9.271 0.155 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.482 -8.926 1.334 1.00 0.00 H new ATOM 721 N CYS A 49 4.501 -8.997 3.309 1.00 0.00 N ATOM 722 CA CYS A 49 5.623 -9.877 3.781 1.00 0.00 C ATOM 723 C CYS A 49 6.715 -9.057 4.477 1.00 0.00 C ATOM 724 O CYS A 49 7.783 -9.558 4.768 1.00 0.00 O ATOM 725 CB CYS A 49 6.159 -10.594 2.526 1.00 0.00 C ATOM 726 SG CYS A 49 7.379 -9.575 1.651 1.00 0.00 S ATOM 0 H CYS A 49 4.739 -8.329 2.576 1.00 0.00 H new ATOM 0 HA CYS A 49 5.279 -10.598 4.522 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.614 -11.542 2.813 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.331 -10.827 1.857 1.00 0.00 H new ATOM 731 N GLY A 50 6.445 -7.808 4.758 1.00 0.00 N ATOM 732 CA GLY A 50 7.448 -6.942 5.451 1.00 0.00 C ATOM 733 C GLY A 50 8.869 -7.294 4.997 1.00 0.00 C ATOM 734 O GLY A 50 9.736 -7.565 5.804 1.00 0.00 O ATOM 0 H GLY A 50 5.563 -7.346 4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.241 -5.893 5.237 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.363 -7.070 6.530 1.00 0.00 H new ATOM 738 N THR A 51 9.117 -7.286 3.718 1.00 0.00 N ATOM 739 CA THR A 51 10.485 -7.616 3.224 1.00 0.00 C ATOM 740 C THR A 51 11.428 -6.436 3.470 1.00 0.00 C ATOM 741 O THR A 51 10.995 -5.303 3.551 1.00 0.00 O ATOM 742 CB THR A 51 10.317 -7.865 1.723 1.00 0.00 C ATOM 743 OG1 THR A 51 11.596 -7.984 1.119 1.00 0.00 O ATOM 744 CG2 THR A 51 9.559 -6.697 1.090 1.00 0.00 C ATOM 0 H THR A 51 8.434 -7.066 2.993 1.00 0.00 H new ATOM 0 HA THR A 51 10.913 -8.480 3.733 1.00 0.00 H new ATOM 0 HB THR A 51 9.754 -8.786 1.569 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.490 -8.145 0.158 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.441 -6.876 0.021 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.577 -6.607 1.554 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.119 -5.774 1.243 1.00 0.00 H new ATOM 752 N PRO A 52 12.693 -6.740 3.576 1.00 0.00 N ATOM 753 CA PRO A 52 13.712 -5.687 3.809 1.00 0.00 C ATOM 754 C PRO A 52 13.849 -4.807 2.565 1.00 0.00 C ATOM 755 O PRO A 52 14.756 -4.967 1.773 1.00 0.00 O ATOM 756 CB PRO A 52 14.991 -6.478 4.074 1.00 0.00 C ATOM 757 CG PRO A 52 14.771 -7.795 3.403 1.00 0.00 C ATOM 758 CD PRO A 52 13.294 -8.077 3.486 1.00 0.00 C ATOM 0 HA PRO A 52 13.464 -5.014 4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 52 15.864 -5.967 3.667 1.00 0.00 H new ATOM 0 HB3 PRO A 52 15.165 -6.603 5.143 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.102 -7.761 2.365 1.00 0.00 H new ATOM 0 HG3 PRO A 52 15.344 -8.581 3.895 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.939 -8.618 2.609 1.00 0.00 H new ATOM 0 HD3 PRO A 52 13.050 -8.686 4.357 1.00 0.00 H new ATOM 766 N LEU A 53 12.945 -3.882 2.385 1.00 0.00 N ATOM 767 CA LEU A 53 13.008 -2.994 1.191 1.00 0.00 C ATOM 768 C LEU A 53 14.083 -1.920 1.376 1.00 0.00 C ATOM 769 O LEU A 53 15.172 -2.022 0.846 1.00 0.00 O ATOM 770 CB LEU A 53 11.624 -2.353 1.117 1.00 0.00 C ATOM 771 CG LEU A 53 10.883 -2.861 -0.117 1.00 0.00 C ATOM 772 CD1 LEU A 53 9.609 -3.590 0.316 1.00 0.00 C ATOM 773 CD2 LEU A 53 10.513 -1.672 -1.005 1.00 0.00 C ATOM 0 H LEU A 53 12.164 -3.703 3.016 1.00 0.00 H new ATOM 0 HA LEU A 53 13.264 -3.540 0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.055 -2.589 2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.718 -1.268 1.075 1.00 0.00 H new ATOM 0 HG LEU A 53 11.522 -3.549 -0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.080 -3.953 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.872 -4.434 0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.967 -2.904 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.983 -2.029 -1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.872 -0.988 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.420 -1.151 -1.312 1.00 0.00 H new ATOM 785 N ARG A 54 13.778 -0.891 2.124 1.00 0.00 N ATOM 786 CA ARG A 54 14.766 0.209 2.355 1.00 0.00 C ATOM 787 C ARG A 54 14.870 1.104 1.115 1.00 0.00 C ATOM 788 O ARG A 54 15.672 2.015 1.065 1.00 0.00 O ATOM 789 CB ARG A 54 16.103 -0.481 2.639 1.00 0.00 C ATOM 790 CG ARG A 54 16.734 0.123 3.895 1.00 0.00 C ATOM 791 CD ARG A 54 18.122 0.671 3.556 1.00 0.00 C ATOM 792 NE ARG A 54 18.421 1.651 4.637 1.00 0.00 N ATOM 793 CZ ARG A 54 18.031 2.891 4.518 1.00 0.00 C ATOM 794 NH1 ARG A 54 17.021 3.186 3.746 1.00 0.00 N ATOM 795 NH2 ARG A 54 18.651 3.836 5.170 1.00 0.00 N ATOM 0 H ARG A 54 12.879 -0.764 2.589 1.00 0.00 H new ATOM 0 HA ARG A 54 14.467 0.850 3.184 1.00 0.00 H new ATOM 0 HB2 ARG A 54 15.950 -1.552 2.775 1.00 0.00 H new ATOM 0 HB3 ARG A 54 16.774 -0.361 1.788 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.102 0.921 4.285 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.811 -0.633 4.676 1.00 0.00 H new ATOM 0 HD2 ARG A 54 18.865 -0.126 3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 54 18.130 1.149 2.576 1.00 0.00 H new ATOM 0 HE ARG A 54 18.930 1.354 5.469 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.536 2.448 3.236 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.716 4.155 3.653 1.00 0.00 H new ATOM 0 HH21 ARG A 54 19.441 3.606 5.773 1.00 0.00 H new ATOM 0 HH22 ARG A 54 18.346 4.805 5.077 1.00 0.00 H new ATOM 809 N LYS A 55 14.065 0.857 0.113 1.00 0.00 N ATOM 810 CA LYS A 55 14.130 1.706 -1.113 1.00 0.00 C ATOM 811 C LYS A 55 12.743 2.255 -1.465 1.00 0.00 C ATOM 812 O LYS A 55 12.617 3.231 -2.177 1.00 0.00 O ATOM 813 CB LYS A 55 14.641 0.780 -2.219 1.00 0.00 C ATOM 814 CG LYS A 55 13.575 -0.267 -2.560 1.00 0.00 C ATOM 815 CD LYS A 55 13.680 -1.437 -1.581 1.00 0.00 C ATOM 816 CE LYS A 55 13.606 -2.757 -2.351 1.00 0.00 C ATOM 817 NZ LYS A 55 15.011 -3.048 -2.750 1.00 0.00 N ATOM 0 H LYS A 55 13.371 0.110 0.091 1.00 0.00 H new ATOM 0 HA LYS A 55 14.781 2.569 -0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 55 14.888 1.362 -3.107 1.00 0.00 H new ATOM 0 HB3 LYS A 55 15.558 0.286 -1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.582 0.179 -2.506 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.711 -0.621 -3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.617 -1.379 -1.028 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.874 -1.385 -0.849 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.199 -3.554 -1.729 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.958 -2.670 -3.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.043 -3.940 -3.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.370 -2.275 -3.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.603 -3.132 -1.899 1.00 0.00 H new ATOM 831 N SER A 56 11.702 1.638 -0.974 1.00 0.00 N ATOM 832 CA SER A 56 10.330 2.132 -1.288 1.00 0.00 C ATOM 833 C SER A 56 10.050 1.991 -2.789 1.00 0.00 C ATOM 834 O SER A 56 10.572 2.730 -3.600 1.00 0.00 O ATOM 835 CB SER A 56 10.333 3.602 -0.871 1.00 0.00 C ATOM 836 OG SER A 56 10.614 4.415 -2.004 1.00 0.00 O ATOM 0 H SER A 56 11.742 0.816 -0.371 1.00 0.00 H new ATOM 0 HA SER A 56 9.556 1.567 -0.769 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.366 3.873 -0.446 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.080 3.770 -0.095 1.00 0.00 H new ATOM 0 HG SER A 56 11.259 3.958 -2.583 1.00 0.00 H new ATOM 842 N ASN A 57 9.234 1.044 -3.164 1.00 0.00 N ATOM 843 CA ASN A 57 8.923 0.856 -4.613 1.00 0.00 C ATOM 844 C ASN A 57 7.485 0.361 -4.784 1.00 0.00 C ATOM 845 O ASN A 57 7.075 -0.602 -4.169 1.00 0.00 O ATOM 846 CB ASN A 57 9.920 -0.200 -5.103 1.00 0.00 C ATOM 847 CG ASN A 57 10.040 -1.320 -4.072 1.00 0.00 C ATOM 848 OD1 ASN A 57 9.208 -1.449 -3.196 1.00 0.00 O ATOM 849 ND2 ASN A 57 11.046 -2.146 -4.147 1.00 0.00 N ATOM 0 H ASN A 57 8.769 0.392 -2.532 1.00 0.00 H new ATOM 0 HA ASN A 57 9.008 1.785 -5.177 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.591 -0.608 -6.059 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.895 0.258 -5.271 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.136 -2.903 -3.469 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.743 -2.035 -4.883 1.00 0.00 H new ATOM 856 N PHE A 58 6.714 1.010 -5.615 1.00 0.00 N ATOM 857 CA PHE A 58 5.302 0.563 -5.820 1.00 0.00 C ATOM 858 C PHE A 58 4.950 0.598 -7.308 1.00 0.00 C ATOM 859 O PHE A 58 4.998 1.631 -7.947 1.00 0.00 O ATOM 860 CB PHE A 58 4.397 1.541 -5.043 1.00 0.00 C ATOM 861 CG PHE A 58 5.181 2.312 -4.020 1.00 0.00 C ATOM 862 CD1 PHE A 58 5.480 1.711 -2.802 1.00 0.00 C ATOM 863 CD2 PHE A 58 5.589 3.626 -4.276 1.00 0.00 C ATOM 864 CE1 PHE A 58 6.187 2.413 -1.832 1.00 0.00 C ATOM 865 CE2 PHE A 58 6.298 4.336 -3.301 1.00 0.00 C ATOM 866 CZ PHE A 58 6.596 3.727 -2.076 1.00 0.00 C ATOM 0 H PHE A 58 6.997 1.826 -6.159 1.00 0.00 H new ATOM 0 HA PHE A 58 5.166 -0.459 -5.465 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.923 2.233 -5.739 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.598 0.987 -4.551 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.162 0.697 -2.609 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.357 4.090 -5.223 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.420 1.942 -0.889 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.614 5.351 -3.493 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.142 4.272 -1.320 1.00 0.00 H new ATOM 876 N ARG A 59 4.569 -0.521 -7.852 1.00 0.00 N ATOM 877 CA ARG A 59 4.180 -0.565 -9.294 1.00 0.00 C ATOM 878 C ARG A 59 2.655 -0.634 -9.368 1.00 0.00 C ATOM 879 O ARG A 59 2.067 -1.676 -9.173 1.00 0.00 O ATOM 880 CB ARG A 59 4.824 -1.829 -9.908 1.00 0.00 C ATOM 881 CG ARG A 59 5.436 -2.738 -8.827 1.00 0.00 C ATOM 882 CD ARG A 59 6.107 -3.942 -9.493 1.00 0.00 C ATOM 883 NE ARG A 59 7.539 -3.557 -9.628 1.00 0.00 N ATOM 884 CZ ARG A 59 8.463 -4.273 -9.048 1.00 0.00 C ATOM 885 NH1 ARG A 59 8.400 -5.576 -9.083 1.00 0.00 N ATOM 886 NH2 ARG A 59 9.453 -3.685 -8.432 1.00 0.00 N ATOM 0 H ARG A 59 4.509 -1.413 -7.361 1.00 0.00 H new ATOM 0 HA ARG A 59 4.519 0.314 -9.842 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.072 -2.385 -10.468 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.598 -1.535 -10.617 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.165 -2.181 -8.239 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.661 -3.075 -8.138 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.995 -4.841 -8.888 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.662 -4.155 -10.465 1.00 0.00 H new ATOM 0 HE ARG A 59 7.797 -2.735 -10.173 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.628 -6.036 -9.564 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.123 -6.134 -8.629 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.504 -2.667 -8.404 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.176 -4.244 -7.978 1.00 0.00 H new ATOM 900 N VAL A 60 2.016 0.483 -9.605 1.00 0.00 N ATOM 901 CA VAL A 60 0.522 0.513 -9.627 1.00 0.00 C ATOM 902 C VAL A 60 -0.062 0.140 -10.989 1.00 0.00 C ATOM 903 O VAL A 60 0.510 0.391 -12.031 1.00 0.00 O ATOM 904 CB VAL A 60 0.165 1.956 -9.279 1.00 0.00 C ATOM 905 CG1 VAL A 60 0.666 2.889 -10.383 1.00 0.00 C ATOM 906 CG2 VAL A 60 -1.353 2.088 -9.152 1.00 0.00 C ATOM 0 H VAL A 60 2.467 1.380 -9.785 1.00 0.00 H new ATOM 0 HA VAL A 60 0.110 -0.218 -8.931 1.00 0.00 H new ATOM 0 HB VAL A 60 0.636 2.228 -8.334 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.410 3.919 -10.133 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.748 2.796 -10.475 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.197 2.618 -11.329 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.609 3.118 -8.904 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.822 1.815 -10.097 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.711 1.425 -8.365 1.00 0.00 H new ATOM 916 N GLN A 61 -1.218 -0.467 -10.953 1.00 0.00 N ATOM 917 CA GLN A 61 -1.918 -0.896 -12.194 1.00 0.00 C ATOM 918 C GLN A 61 -3.180 -1.671 -11.797 1.00 0.00 C ATOM 919 O GLN A 61 -3.244 -2.257 -10.734 1.00 0.00 O ATOM 920 CB GLN A 61 -0.929 -1.806 -12.923 1.00 0.00 C ATOM 921 CG GLN A 61 -0.473 -2.923 -11.982 1.00 0.00 C ATOM 922 CD GLN A 61 -0.758 -4.281 -12.627 1.00 0.00 C ATOM 923 OE1 GLN A 61 -0.730 -4.412 -13.834 1.00 0.00 O ATOM 924 NE2 GLN A 61 -1.033 -5.306 -11.866 1.00 0.00 N ATOM 0 H GLN A 61 -1.717 -0.688 -10.091 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.220 -0.062 -12.827 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.397 -2.232 -13.810 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.069 -1.228 -13.262 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.592 -2.824 -11.772 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.994 -2.845 -11.028 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.057 -5.197 -10.852 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.224 -6.216 -12.285 1.00 0.00 H new ATOM 933 N LEU A 62 -4.188 -1.675 -12.626 1.00 0.00 N ATOM 934 CA LEU A 62 -5.436 -2.412 -12.265 1.00 0.00 C ATOM 935 C LEU A 62 -6.309 -2.613 -13.506 1.00 0.00 C ATOM 936 O LEU A 62 -6.822 -3.688 -13.748 1.00 0.00 O ATOM 937 CB LEU A 62 -6.143 -1.512 -11.248 1.00 0.00 C ATOM 938 CG LEU A 62 -6.853 -2.369 -10.195 1.00 0.00 C ATOM 939 CD1 LEU A 62 -5.860 -2.778 -9.104 1.00 0.00 C ATOM 940 CD2 LEU A 62 -7.988 -1.560 -9.563 1.00 0.00 C ATOM 0 H LEU A 62 -4.204 -1.204 -13.531 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.231 -3.403 -11.860 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.419 -0.855 -10.766 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.865 -0.873 -11.756 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.256 -3.262 -10.672 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.370 -3.387 -8.358 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.048 -3.353 -9.548 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.454 -1.885 -8.628 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.495 -2.168 -8.813 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.579 -0.667 -9.090 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.700 -1.268 -10.335 1.00 0.00 H new ATOM 952 N PHE A 63 -6.482 -1.588 -14.294 1.00 0.00 N ATOM 953 CA PHE A 63 -7.322 -1.723 -15.520 1.00 0.00 C ATOM 954 C PHE A 63 -6.648 -2.662 -16.523 1.00 0.00 C ATOM 955 O PHE A 63 -6.139 -2.237 -17.541 1.00 0.00 O ATOM 956 CB PHE A 63 -7.417 -0.307 -16.089 1.00 0.00 C ATOM 957 CG PHE A 63 -8.312 -0.313 -17.304 1.00 0.00 C ATOM 958 CD1 PHE A 63 -9.452 -1.126 -17.332 1.00 0.00 C ATOM 959 CD2 PHE A 63 -8.002 0.496 -18.404 1.00 0.00 C ATOM 960 CE1 PHE A 63 -10.282 -1.129 -18.459 1.00 0.00 C ATOM 961 CE2 PHE A 63 -8.832 0.493 -19.532 1.00 0.00 C ATOM 962 CZ PHE A 63 -9.973 -0.320 -19.559 1.00 0.00 C ATOM 0 H PHE A 63 -6.079 -0.663 -14.143 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.304 -2.144 -15.305 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.813 0.374 -15.335 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.425 0.056 -16.357 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.691 -1.751 -16.484 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.123 1.122 -18.383 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -11.161 -1.756 -18.480 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.593 1.117 -20.381 1.00 0.00 H new ATOM 0 HZ PHE A 63 -10.614 -0.323 -20.428 1.00 0.00 H new ATOM 972 N GLU A 64 -6.639 -3.937 -16.246 1.00 0.00 N ATOM 973 CA GLU A 64 -5.998 -4.902 -17.184 1.00 0.00 C ATOM 974 C GLU A 64 -7.058 -5.569 -18.064 1.00 0.00 C ATOM 975 O GLU A 64 -8.028 -4.953 -18.458 1.00 0.00 O ATOM 976 CB GLU A 64 -5.319 -5.937 -16.285 1.00 0.00 C ATOM 977 CG GLU A 64 -4.531 -5.220 -15.187 1.00 0.00 C ATOM 978 CD GLU A 64 -3.348 -6.090 -14.758 1.00 0.00 C ATOM 979 OE1 GLU A 64 -2.979 -6.972 -15.516 1.00 0.00 O ATOM 980 OE2 GLU A 64 -2.831 -5.860 -13.676 1.00 0.00 O ATOM 0 H GLU A 64 -7.048 -4.353 -15.409 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.289 -4.416 -17.855 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.066 -6.595 -15.841 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.652 -6.565 -16.875 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.175 -4.256 -15.551 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.177 -5.019 -14.333 1.00 0.00 H new ATOM 987 N ASP A 65 -6.880 -6.824 -18.376 1.00 0.00 N ATOM 988 CA ASP A 65 -7.877 -7.530 -19.231 1.00 0.00 C ATOM 989 C ASP A 65 -8.290 -6.641 -20.407 1.00 0.00 C ATOM 990 O ASP A 65 -7.457 -5.876 -20.866 1.00 0.00 O ATOM 991 CB ASP A 65 -9.071 -7.792 -18.312 1.00 0.00 C ATOM 992 CG ASP A 65 -8.957 -9.197 -17.715 1.00 0.00 C ATOM 993 OD1 ASP A 65 -9.097 -10.150 -18.464 1.00 0.00 O ATOM 994 OD2 ASP A 65 -8.730 -9.294 -16.520 1.00 0.00 O ATOM 995 OXT ASP A 65 -9.430 -6.741 -20.829 1.00 0.00 O ATOM 0 H ASP A 65 -6.087 -7.391 -18.076 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.478 -8.452 -19.655 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -9.101 -7.048 -17.516 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -10.002 -7.697 -18.871 1.00 0.00 H new TER 1000 ASP A 65 HETATM 1001 ZN ZN A 66 -4.072 0.352 1.405 1.00 0.00 ZN HETATM 1002 ZN ZN A 67 6.286 -8.545 -0.086 1.00 0.00 ZN