USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 485 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 61 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -1.72! USER MOD Set 2.1: A 1 MET CE :methyl 171:sc= -5.96! (180deg=-2.99!) USER MOD Set 2.2: A 66 ASN : amide:sc= -6.74! C(o=-13!,f=-25!) USER MOD Single : A 1 MET N :NH3+ -155:sc= 0 (180deg=-0.759) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -3.21 K(o=-3.2,f=-5.7!) USER MOD Single : A 10 THR OG1 : rot -74:sc= 0.501 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 28:sc= -4.66! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 28:sc= 0.608 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.728 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.009 12.566 -2.158 1.00 0.00 N ATOM 2 CA MET A 1 10.776 11.984 -1.554 1.00 0.00 C ATOM 3 C MET A 1 10.127 10.995 -2.526 1.00 0.00 C ATOM 4 O MET A 1 9.233 11.338 -3.273 1.00 0.00 O ATOM 5 CB MET A 1 9.855 13.179 -1.308 1.00 0.00 C ATOM 6 CG MET A 1 10.595 14.226 -0.476 1.00 0.00 C ATOM 7 SD MET A 1 9.420 15.081 0.603 1.00 0.00 S ATOM 8 CE MET A 1 8.843 13.625 1.509 1.00 0.00 C ATOM 0 H1 MET A 1 12.652 12.878 -1.402 1.00 0.00 H new ATOM 0 H2 MET A 1 12.483 11.847 -2.741 1.00 0.00 H new ATOM 0 H3 MET A 1 11.753 13.380 -2.753 1.00 0.00 H new ATOM 0 HA MET A 1 10.984 11.435 -0.636 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.539 13.610 -2.258 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.953 12.856 -0.788 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.372 13.749 0.121 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.091 14.942 -1.131 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.220 13.941 2.346 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.261 12.989 0.842 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.701 13.067 1.885 1.00 0.00 H new ATOM 20 N LYS A 2 10.574 9.769 -2.521 1.00 0.00 N ATOM 21 CA LYS A 2 9.986 8.756 -3.445 1.00 0.00 C ATOM 22 C LYS A 2 9.361 7.608 -2.646 1.00 0.00 C ATOM 23 O LYS A 2 9.401 7.591 -1.431 1.00 0.00 O ATOM 24 CB LYS A 2 11.165 8.252 -4.278 1.00 0.00 C ATOM 25 CG LYS A 2 11.893 9.444 -4.905 1.00 0.00 C ATOM 26 CD LYS A 2 13.401 9.185 -4.894 1.00 0.00 C ATOM 27 CE LYS A 2 13.814 8.526 -6.212 1.00 0.00 C ATOM 28 NZ LYS A 2 15.231 8.934 -6.417 1.00 0.00 N ATOM 0 H LYS A 2 11.321 9.424 -1.918 1.00 0.00 H new ATOM 0 HA LYS A 2 9.195 9.174 -4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 2 11.851 7.683 -3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.811 7.577 -5.057 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.547 9.598 -5.927 1.00 0.00 H new ATOM 0 HG3 LYS A 2 11.666 10.355 -4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.941 10.122 -4.759 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.664 8.541 -4.055 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.719 7.441 -6.158 1.00 0.00 H new ATOM 0 HE3 LYS A 2 13.183 8.861 -7.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 15.587 8.521 -7.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 15.289 9.971 -6.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 15.808 8.596 -5.621 1.00 0.00 H new ATOM 42 N CYS A 3 8.784 6.648 -3.318 1.00 0.00 N ATOM 43 CA CYS A 3 8.157 5.504 -2.594 1.00 0.00 C ATOM 44 C CYS A 3 8.257 4.225 -3.431 1.00 0.00 C ATOM 45 O CYS A 3 7.869 4.192 -4.582 1.00 0.00 O ATOM 46 CB CYS A 3 6.693 5.907 -2.411 1.00 0.00 C ATOM 47 SG CYS A 3 5.882 4.745 -1.284 1.00 0.00 S ATOM 0 H CYS A 3 8.720 6.606 -4.335 1.00 0.00 H new ATOM 0 HA CYS A 3 8.649 5.300 -1.643 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.631 6.920 -2.013 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.183 5.912 -3.374 1.00 0.00 H new ATOM 52 N LYS A 4 8.772 3.170 -2.860 1.00 0.00 N ATOM 53 CA LYS A 4 8.893 1.893 -3.622 1.00 0.00 C ATOM 54 C LYS A 4 7.584 1.103 -3.533 1.00 0.00 C ATOM 55 O LYS A 4 7.075 0.846 -2.459 1.00 0.00 O ATOM 56 CB LYS A 4 10.030 1.131 -2.939 1.00 0.00 C ATOM 57 CG LYS A 4 10.399 -0.095 -3.778 1.00 0.00 C ATOM 58 CD LYS A 4 11.781 -0.603 -3.359 1.00 0.00 C ATOM 59 CE LYS A 4 11.652 -2.011 -2.773 1.00 0.00 C ATOM 60 NZ LYS A 4 12.895 -2.717 -3.190 1.00 0.00 N ATOM 0 H LYS A 4 9.114 3.137 -1.900 1.00 0.00 H new ATOM 0 HA LYS A 4 9.094 2.058 -4.681 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.898 1.780 -2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.726 0.822 -1.939 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.655 -0.880 -3.642 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.400 0.163 -4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 4 12.451 -0.615 -4.218 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.220 0.070 -2.622 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.561 -1.980 -1.687 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.764 -2.517 -3.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.880 -3.691 -2.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.951 -2.737 -4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 13.723 -2.217 -2.808 1.00 0.00 H new ATOM 74 N ILE A 5 7.032 0.718 -4.651 1.00 0.00 N ATOM 75 CA ILE A 5 5.755 -0.051 -4.626 1.00 0.00 C ATOM 76 C ILE A 5 6.004 -1.510 -5.019 1.00 0.00 C ATOM 77 O ILE A 5 6.627 -1.796 -6.022 1.00 0.00 O ATOM 78 CB ILE A 5 4.859 0.637 -5.655 1.00 0.00 C ATOM 79 CG1 ILE A 5 4.369 1.973 -5.091 1.00 0.00 C ATOM 80 CG2 ILE A 5 3.657 -0.256 -5.965 1.00 0.00 C ATOM 81 CD1 ILE A 5 3.741 2.802 -6.212 1.00 0.00 C ATOM 0 H ILE A 5 7.410 0.902 -5.580 1.00 0.00 H new ATOM 0 HA ILE A 5 5.302 -0.065 -3.635 1.00 0.00 H new ATOM 0 HB ILE A 5 5.425 0.813 -6.569 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.639 1.800 -4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 5 5.201 2.518 -4.644 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.018 0.235 -6.699 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.005 -1.208 -6.366 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.090 -0.433 -5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.392 3.753 -5.810 1.00 0.00 H new ATOM 0 HD12 ILE A 5 4.484 2.987 -6.988 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.898 2.258 -6.639 1.00 0.00 H new ATOM 93 N CYS A 6 5.519 -2.433 -4.234 1.00 0.00 N ATOM 94 CA CYS A 6 5.724 -3.874 -4.559 1.00 0.00 C ATOM 95 C CYS A 6 4.692 -4.731 -3.820 1.00 0.00 C ATOM 96 O CYS A 6 4.182 -4.350 -2.785 1.00 0.00 O ATOM 97 CB CYS A 6 7.137 -4.192 -4.070 1.00 0.00 C ATOM 98 SG CYS A 6 7.831 -5.540 -5.060 1.00 0.00 S ATOM 0 H CYS A 6 4.989 -2.252 -3.381 1.00 0.00 H new ATOM 0 HA CYS A 6 5.606 -4.081 -5.623 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.768 -3.307 -4.149 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.114 -4.474 -3.017 1.00 0.00 H new ATOM 103 N ASN A 7 4.377 -5.885 -4.344 1.00 0.00 N ATOM 104 CA ASN A 7 3.375 -6.760 -3.669 1.00 0.00 C ATOM 105 C ASN A 7 4.070 -7.709 -2.688 1.00 0.00 C ATOM 106 O ASN A 7 4.866 -8.542 -3.073 1.00 0.00 O ATOM 107 CB ASN A 7 2.714 -7.549 -4.800 1.00 0.00 C ATOM 108 CG ASN A 7 1.360 -8.083 -4.327 1.00 0.00 C ATOM 109 OD1 ASN A 7 1.254 -8.635 -3.250 1.00 0.00 O ATOM 110 ND2 ASN A 7 0.313 -7.943 -5.094 1.00 0.00 N ATOM 0 H ASN A 7 4.769 -6.259 -5.208 1.00 0.00 H new ATOM 0 HA ASN A 7 2.650 -6.186 -3.092 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.580 -6.910 -5.673 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.356 -8.375 -5.105 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.594 -8.297 -4.789 1.00 0.00 H new ATOM 0 HD22 ASN A 7 0.402 -7.480 -5.998 1.00 0.00 H new ATOM 117 N PHE A 8 3.771 -7.591 -1.422 1.00 0.00 N ATOM 118 CA PHE A 8 4.412 -8.489 -0.418 1.00 0.00 C ATOM 119 C PHE A 8 4.059 -9.948 -0.717 1.00 0.00 C ATOM 120 O PHE A 8 3.032 -10.240 -1.297 1.00 0.00 O ATOM 121 CB PHE A 8 3.826 -8.062 0.928 1.00 0.00 C ATOM 122 CG PHE A 8 4.929 -7.543 1.818 1.00 0.00 C ATOM 123 CD1 PHE A 8 5.948 -6.749 1.279 1.00 0.00 C ATOM 124 CD2 PHE A 8 4.933 -7.857 3.182 1.00 0.00 C ATOM 125 CE1 PHE A 8 6.971 -6.268 2.105 1.00 0.00 C ATOM 126 CE2 PHE A 8 5.956 -7.376 4.008 1.00 0.00 C ATOM 127 CZ PHE A 8 6.975 -6.582 3.470 1.00 0.00 C ATOM 0 H PHE A 8 3.112 -6.913 -1.040 1.00 0.00 H new ATOM 0 HA PHE A 8 5.499 -8.414 -0.431 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.071 -7.290 0.779 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.328 -8.907 1.404 1.00 0.00 H new ATOM 0 HD1 PHE A 8 5.945 -6.508 0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.147 -8.470 3.597 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.757 -5.655 1.690 1.00 0.00 H new ATOM 0 HE2 PHE A 8 5.959 -7.618 5.061 1.00 0.00 H new ATOM 0 HZ PHE A 8 7.764 -6.211 4.107 1.00 0.00 H new ATOM 137 N ASP A 9 4.902 -10.865 -0.329 1.00 0.00 N ATOM 138 CA ASP A 9 4.610 -12.303 -0.596 1.00 0.00 C ATOM 139 C ASP A 9 4.589 -12.562 -2.104 1.00 0.00 C ATOM 140 O ASP A 9 4.187 -13.615 -2.559 1.00 0.00 O ATOM 141 CB ASP A 9 3.227 -12.545 0.010 1.00 0.00 C ATOM 142 CG ASP A 9 3.182 -13.937 0.641 1.00 0.00 C ATOM 143 OD1 ASP A 9 3.511 -14.046 1.810 1.00 0.00 O ATOM 144 OD2 ASP A 9 2.819 -14.870 -0.056 1.00 0.00 O ATOM 0 H ASP A 9 5.778 -10.682 0.160 1.00 0.00 H new ATOM 0 HA ASP A 9 5.362 -12.966 -0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.010 -11.786 0.762 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.461 -12.459 -0.760 1.00 0.00 H new ATOM 149 N THR A 10 5.017 -11.606 -2.882 1.00 0.00 N ATOM 150 CA THR A 10 5.022 -11.789 -4.361 1.00 0.00 C ATOM 151 C THR A 10 5.492 -10.503 -5.043 1.00 0.00 C ATOM 152 O THR A 10 4.894 -10.036 -5.991 1.00 0.00 O ATOM 153 CB THR A 10 3.568 -12.091 -4.726 1.00 0.00 C ATOM 154 OG1 THR A 10 3.408 -12.006 -6.135 1.00 0.00 O ATOM 155 CG2 THR A 10 2.647 -11.079 -4.043 1.00 0.00 C ATOM 0 H THR A 10 5.364 -10.704 -2.556 1.00 0.00 H new ATOM 0 HA THR A 10 5.694 -12.585 -4.681 1.00 0.00 H new ATOM 0 HB THR A 10 3.310 -13.096 -4.391 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.414 -11.065 -6.409 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.611 -11.296 -4.304 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.770 -11.146 -2.962 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.902 -10.073 -4.375 1.00 0.00 H new ATOM 163 N CYS A 11 6.558 -9.924 -4.562 1.00 0.00 N ATOM 164 CA CYS A 11 7.066 -8.665 -5.177 1.00 0.00 C ATOM 165 C CYS A 11 7.168 -8.820 -6.697 1.00 0.00 C ATOM 166 O CYS A 11 8.182 -9.234 -7.222 1.00 0.00 O ATOM 167 CB CYS A 11 8.451 -8.457 -4.563 1.00 0.00 C ATOM 168 SG CYS A 11 8.493 -6.870 -3.693 1.00 0.00 S ATOM 0 H CYS A 11 7.099 -10.269 -3.769 1.00 0.00 H new ATOM 0 HA CYS A 11 6.406 -7.818 -4.990 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.680 -9.269 -3.872 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.213 -8.477 -5.342 1.00 0.00 H new ATOM 173 N ARG A 12 6.124 -8.488 -7.407 1.00 0.00 N ATOM 174 CA ARG A 12 6.161 -8.613 -8.892 1.00 0.00 C ATOM 175 C ARG A 12 6.311 -7.231 -9.531 1.00 0.00 C ATOM 176 O ARG A 12 6.650 -7.104 -10.691 1.00 0.00 O ATOM 177 CB ARG A 12 4.817 -9.237 -9.272 1.00 0.00 C ATOM 178 CG ARG A 12 4.839 -10.734 -8.956 1.00 0.00 C ATOM 179 CD ARG A 12 3.734 -11.440 -9.746 1.00 0.00 C ATOM 180 NE ARG A 12 2.479 -10.733 -9.366 1.00 0.00 N ATOM 181 CZ ARG A 12 1.329 -11.163 -9.809 1.00 0.00 C ATOM 182 NH1 ARG A 12 1.200 -12.403 -10.194 1.00 0.00 N ATOM 183 NH2 ARG A 12 0.307 -10.352 -9.866 1.00 0.00 N ATOM 0 H ARG A 12 5.247 -8.136 -7.023 1.00 0.00 H new ATOM 0 HA ARG A 12 7.001 -9.217 -9.236 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.011 -8.751 -8.723 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.619 -9.082 -10.333 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.811 -11.156 -9.213 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.695 -10.893 -7.887 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.914 -11.377 -10.819 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.683 -12.499 -9.493 1.00 0.00 H new ATOM 0 HE ARG A 12 2.518 -9.913 -8.760 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.998 -13.037 -10.149 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.301 -12.739 -10.540 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.408 -9.383 -9.564 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.592 -10.688 -10.212 1.00 0.00 H new ATOM 197 N ALA A 13 6.061 -6.196 -8.779 1.00 0.00 N ATOM 198 CA ALA A 13 6.188 -4.817 -9.336 1.00 0.00 C ATOM 199 C ALA A 13 7.516 -4.191 -8.903 1.00 0.00 C ATOM 200 O ALA A 13 8.380 -3.920 -9.713 1.00 0.00 O ATOM 201 CB ALA A 13 5.012 -4.042 -8.742 1.00 0.00 C ATOM 0 H ALA A 13 5.774 -6.244 -7.801 1.00 0.00 H new ATOM 0 HA ALA A 13 6.174 -4.809 -10.426 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.034 -3.014 -9.104 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.076 -4.513 -9.043 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.086 -4.045 -7.655 1.00 0.00 H new ATOM 207 N GLY A 14 7.684 -3.956 -7.629 1.00 0.00 N ATOM 208 CA GLY A 14 8.954 -3.346 -7.144 1.00 0.00 C ATOM 209 C GLY A 14 9.226 -2.055 -7.916 1.00 0.00 C ATOM 210 O GLY A 14 10.350 -1.753 -8.265 1.00 0.00 O ATOM 0 H GLY A 14 6.996 -4.160 -6.904 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.885 -3.136 -6.077 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.780 -4.044 -7.279 1.00 0.00 H new ATOM 214 N GLU A 15 8.204 -1.289 -8.186 1.00 0.00 N ATOM 215 CA GLU A 15 8.403 -0.017 -8.936 1.00 0.00 C ATOM 216 C GLU A 15 8.310 1.178 -7.985 1.00 0.00 C ATOM 217 O GLU A 15 7.312 1.381 -7.323 1.00 0.00 O ATOM 218 CB GLU A 15 7.267 0.021 -9.960 1.00 0.00 C ATOM 219 CG GLU A 15 7.550 -0.990 -11.073 1.00 0.00 C ATOM 220 CD GLU A 15 6.694 -0.656 -12.296 1.00 0.00 C ATOM 221 OE1 GLU A 15 5.524 -1.001 -12.287 1.00 0.00 O ATOM 222 OE2 GLU A 15 7.224 -0.062 -13.221 1.00 0.00 O ATOM 0 H GLU A 15 7.240 -1.489 -7.919 1.00 0.00 H new ATOM 0 HA GLU A 15 9.382 0.033 -9.412 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.319 -0.211 -9.476 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.174 1.023 -10.379 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.607 -0.968 -11.339 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.330 -2.000 -10.726 1.00 0.00 H new ATOM 229 N LEU A 16 9.343 1.971 -7.912 1.00 0.00 N ATOM 230 CA LEU A 16 9.313 3.152 -7.003 1.00 0.00 C ATOM 231 C LEU A 16 8.989 4.420 -7.797 1.00 0.00 C ATOM 232 O LEU A 16 9.311 4.535 -8.963 1.00 0.00 O ATOM 233 CB LEU A 16 10.721 3.233 -6.412 1.00 0.00 C ATOM 234 CG LEU A 16 10.889 4.559 -5.668 1.00 0.00 C ATOM 235 CD1 LEU A 16 11.817 4.358 -4.469 1.00 0.00 C ATOM 236 CD2 LEU A 16 11.496 5.598 -6.613 1.00 0.00 C ATOM 0 H LEU A 16 10.206 1.853 -8.442 1.00 0.00 H new ATOM 0 HA LEU A 16 8.552 3.059 -6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.889 2.398 -5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.465 3.152 -7.205 1.00 0.00 H new ATOM 0 HG LEU A 16 9.916 4.906 -5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.937 5.303 -3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 16 11.387 3.616 -3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.790 4.011 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.617 6.544 -6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.469 5.250 -6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.836 5.742 -7.468 1.00 0.00 H new ATOM 248 N LYS A 17 8.353 5.373 -7.173 1.00 0.00 N ATOM 249 CA LYS A 17 8.007 6.633 -7.888 1.00 0.00 C ATOM 250 C LYS A 17 8.024 7.808 -6.908 1.00 0.00 C ATOM 251 O LYS A 17 8.625 7.738 -5.854 1.00 0.00 O ATOM 252 CB LYS A 17 6.597 6.405 -8.436 1.00 0.00 C ATOM 253 CG LYS A 17 5.708 5.824 -7.335 1.00 0.00 C ATOM 254 CD LYS A 17 4.278 6.338 -7.509 1.00 0.00 C ATOM 255 CE LYS A 17 3.672 5.742 -8.781 1.00 0.00 C ATOM 256 NZ LYS A 17 2.225 5.568 -8.473 1.00 0.00 N ATOM 0 H LYS A 17 8.058 5.333 -6.197 1.00 0.00 H new ATOM 0 HA LYS A 17 8.714 6.870 -8.683 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.179 7.345 -8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.632 5.724 -9.287 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.722 4.735 -7.378 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.091 6.109 -6.355 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.674 6.065 -6.643 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.276 7.426 -7.568 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.817 6.404 -9.635 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.139 4.790 -9.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.740 5.163 -9.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.118 4.928 -7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.805 6.492 -8.244 1.00 0.00 H new ATOM 270 N VAL A 18 7.377 8.887 -7.245 1.00 0.00 N ATOM 271 CA VAL A 18 7.366 10.061 -6.330 1.00 0.00 C ATOM 272 C VAL A 18 5.928 10.474 -6.009 1.00 0.00 C ATOM 273 O VAL A 18 5.038 10.352 -6.827 1.00 0.00 O ATOM 274 CB VAL A 18 8.083 11.162 -7.107 1.00 0.00 C ATOM 275 CG1 VAL A 18 9.585 10.873 -7.125 1.00 0.00 C ATOM 276 CG2 VAL A 18 7.554 11.199 -8.543 1.00 0.00 C ATOM 0 H VAL A 18 6.856 9.007 -8.113 1.00 0.00 H new ATOM 0 HA VAL A 18 7.849 9.850 -5.376 1.00 0.00 H new ATOM 0 HB VAL A 18 7.902 12.124 -6.628 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.100 11.658 -7.679 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.962 10.844 -6.103 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.765 9.911 -7.606 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.065 11.985 -9.099 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.737 10.237 -9.023 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.483 11.401 -8.531 1.00 0.00 H new ATOM 286 N CYS A 19 5.696 10.961 -4.821 1.00 0.00 N ATOM 287 CA CYS A 19 4.317 11.382 -4.443 1.00 0.00 C ATOM 288 C CYS A 19 4.355 12.242 -3.176 1.00 0.00 C ATOM 289 O CYS A 19 3.726 13.278 -3.099 1.00 0.00 O ATOM 290 CB CYS A 19 3.564 10.077 -4.183 1.00 0.00 C ATOM 291 SG CYS A 19 2.184 9.937 -5.346 1.00 0.00 S ATOM 0 H CYS A 19 6.402 11.086 -4.095 1.00 0.00 H new ATOM 0 HA CYS A 19 3.840 11.981 -5.219 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.237 9.227 -4.296 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.194 10.056 -3.158 1.00 0.00 H new ATOM 296 N ALA A 20 5.091 11.820 -2.184 1.00 0.00 N ATOM 297 CA ALA A 20 5.170 12.615 -0.925 1.00 0.00 C ATOM 298 C ALA A 20 5.803 13.981 -1.204 1.00 0.00 C ATOM 299 O ALA A 20 6.982 14.184 -0.993 1.00 0.00 O ATOM 300 CB ALA A 20 6.059 11.792 0.008 1.00 0.00 C ATOM 0 H ALA A 20 5.640 10.961 -2.191 1.00 0.00 H new ATOM 0 HA ALA A 20 4.188 12.802 -0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.167 12.312 0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.604 10.816 0.177 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.041 11.661 -0.447 1.00 0.00 H new ATOM 306 N SER A 21 5.029 14.919 -1.679 1.00 0.00 N ATOM 307 CA SER A 21 5.591 16.270 -1.974 1.00 0.00 C ATOM 308 C SER A 21 5.238 17.250 -0.851 1.00 0.00 C ATOM 309 O SER A 21 5.766 18.342 -0.781 1.00 0.00 O ATOM 310 CB SER A 21 4.930 16.694 -3.284 1.00 0.00 C ATOM 311 OG SER A 21 5.713 17.710 -3.897 1.00 0.00 O ATOM 0 H SER A 21 4.034 14.810 -1.875 1.00 0.00 H new ATOM 0 HA SER A 21 6.678 16.257 -2.050 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.837 15.838 -3.952 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.921 17.061 -3.094 1.00 0.00 H new ATOM 0 HG SER A 21 5.293 17.984 -4.739 1.00 0.00 H new ATOM 317 N GLY A 22 4.351 16.869 0.027 1.00 0.00 N ATOM 318 CA GLY A 22 3.968 17.781 1.142 1.00 0.00 C ATOM 319 C GLY A 22 2.853 17.137 1.967 1.00 0.00 C ATOM 320 O GLY A 22 3.089 16.578 3.020 1.00 0.00 O ATOM 0 H GLY A 22 3.875 15.967 0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.833 17.983 1.774 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.634 18.739 0.744 1.00 0.00 H new ATOM 324 N GLU A 23 1.638 17.208 1.497 1.00 0.00 N ATOM 325 CA GLU A 23 0.508 16.597 2.255 1.00 0.00 C ATOM 326 C GLU A 23 0.091 15.276 1.602 1.00 0.00 C ATOM 327 O GLU A 23 -1.078 14.956 1.518 1.00 0.00 O ATOM 328 CB GLU A 23 -0.624 17.621 2.172 1.00 0.00 C ATOM 329 CG GLU A 23 -0.508 18.605 3.339 1.00 0.00 C ATOM 330 CD GLU A 23 -1.684 18.403 4.297 1.00 0.00 C ATOM 331 OE1 GLU A 23 -2.695 17.881 3.859 1.00 0.00 O ATOM 332 OE2 GLU A 23 -1.552 18.775 5.451 1.00 0.00 O ATOM 0 H GLU A 23 1.378 17.662 0.621 1.00 0.00 H new ATOM 0 HA GLU A 23 0.774 16.371 3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.575 18.157 1.224 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.589 17.115 2.203 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.434 18.452 3.865 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.501 19.629 2.966 1.00 0.00 H new ATOM 339 N LYS A 24 1.039 14.508 1.141 1.00 0.00 N ATOM 340 CA LYS A 24 0.701 13.208 0.495 1.00 0.00 C ATOM 341 C LYS A 24 1.612 12.100 1.031 1.00 0.00 C ATOM 342 O LYS A 24 2.774 12.319 1.308 1.00 0.00 O ATOM 343 CB LYS A 24 0.949 13.431 -0.997 1.00 0.00 C ATOM 344 CG LYS A 24 -0.350 13.877 -1.670 1.00 0.00 C ATOM 345 CD LYS A 24 -0.024 14.661 -2.943 1.00 0.00 C ATOM 346 CE LYS A 24 -0.374 16.136 -2.738 1.00 0.00 C ATOM 347 NZ LYS A 24 -1.539 16.382 -3.633 1.00 0.00 N ATOM 0 H LYS A 24 2.035 14.725 1.184 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.325 12.901 0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.722 14.186 -1.139 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.312 12.512 -1.457 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.963 13.009 -1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.931 14.497 -0.987 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.034 14.558 -3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.585 14.257 -3.785 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.625 16.341 -1.697 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.466 16.781 -2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.838 17.374 -3.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.268 16.185 -4.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.325 15.759 -3.359 1.00 0.00 H new ATOM 361 N TYR A 25 1.093 10.912 1.179 1.00 0.00 N ATOM 362 CA TYR A 25 1.929 9.792 1.698 1.00 0.00 C ATOM 363 C TYR A 25 1.628 8.507 0.922 1.00 0.00 C ATOM 364 O TYR A 25 0.738 8.466 0.096 1.00 0.00 O ATOM 365 CB TYR A 25 1.518 9.643 3.163 1.00 0.00 C ATOM 366 CG TYR A 25 0.033 9.382 3.240 1.00 0.00 C ATOM 367 CD1 TYR A 25 -0.484 8.155 2.809 1.00 0.00 C ATOM 368 CD2 TYR A 25 -0.826 10.367 3.741 1.00 0.00 C ATOM 369 CE1 TYR A 25 -1.861 7.913 2.877 1.00 0.00 C ATOM 370 CE2 TYR A 25 -2.203 10.125 3.810 1.00 0.00 C ATOM 371 CZ TYR A 25 -2.721 8.898 3.378 1.00 0.00 C ATOM 372 OH TYR A 25 -4.078 8.659 3.446 1.00 0.00 O ATOM 0 H TYR A 25 0.126 10.668 0.963 1.00 0.00 H new ATOM 0 HA TYR A 25 2.996 9.985 1.591 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.068 8.823 3.625 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.769 10.547 3.717 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.179 7.395 2.424 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.427 11.313 4.074 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -2.260 6.967 2.543 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.866 10.885 4.197 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.236 7.697 3.548 1.00 0.00 H new ATOM 382 N CYS A 26 2.360 7.457 1.181 1.00 0.00 N ATOM 383 CA CYS A 26 2.106 6.179 0.456 1.00 0.00 C ATOM 384 C CYS A 26 1.110 5.321 1.239 1.00 0.00 C ATOM 385 O CYS A 26 1.158 5.251 2.451 1.00 0.00 O ATOM 386 CB CYS A 26 3.466 5.487 0.375 1.00 0.00 C ATOM 387 SG CYS A 26 3.929 5.258 -1.359 1.00 0.00 S ATOM 0 H CYS A 26 3.120 7.429 1.861 1.00 0.00 H new ATOM 0 HA CYS A 26 1.678 6.343 -0.533 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.220 6.084 0.887 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.425 4.523 0.881 1.00 0.00 H new ATOM 392 N PHE A 27 0.206 4.671 0.560 1.00 0.00 N ATOM 393 CA PHE A 27 -0.791 3.825 1.276 1.00 0.00 C ATOM 394 C PHE A 27 -0.673 2.365 0.833 1.00 0.00 C ATOM 395 O PHE A 27 -0.853 2.039 -0.324 1.00 0.00 O ATOM 396 CB PHE A 27 -2.154 4.391 0.881 1.00 0.00 C ATOM 397 CG PHE A 27 -3.243 3.548 1.500 1.00 0.00 C ATOM 398 CD1 PHE A 27 -3.074 3.020 2.786 1.00 0.00 C ATOM 399 CD2 PHE A 27 -4.422 3.292 0.789 1.00 0.00 C ATOM 400 CE1 PHE A 27 -4.082 2.237 3.360 1.00 0.00 C ATOM 401 CE2 PHE A 27 -5.431 2.509 1.363 1.00 0.00 C ATOM 402 CZ PHE A 27 -5.260 1.981 2.649 1.00 0.00 C ATOM 0 H PHE A 27 0.114 4.688 -0.456 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.638 3.842 2.355 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.243 5.424 1.217 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.257 4.399 -0.204 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.165 3.217 3.335 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.553 3.699 -0.203 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.951 1.830 4.352 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.340 2.312 0.815 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.037 1.376 3.092 1.00 0.00 H new ATOM 412 N LYS A 28 -0.380 1.485 1.749 1.00 0.00 N ATOM 413 CA LYS A 28 -0.259 0.044 1.392 1.00 0.00 C ATOM 414 C LYS A 28 -1.314 -0.764 2.152 1.00 0.00 C ATOM 415 O LYS A 28 -1.395 -0.710 3.363 1.00 0.00 O ATOM 416 CB LYS A 28 1.150 -0.357 1.832 1.00 0.00 C ATOM 417 CG LYS A 28 2.122 -0.178 0.663 1.00 0.00 C ATOM 418 CD LYS A 28 2.675 1.249 0.669 1.00 0.00 C ATOM 419 CE LYS A 28 4.063 1.259 1.314 1.00 0.00 C ATOM 420 NZ LYS A 28 5.012 1.040 0.187 1.00 0.00 N ATOM 0 H LYS A 28 -0.219 1.702 2.732 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.416 -0.140 0.329 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.466 0.254 2.678 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.156 -1.394 2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.939 -0.896 0.743 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.613 -0.378 -0.280 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.734 1.631 -0.350 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.003 1.908 1.218 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.258 2.207 1.816 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.155 0.475 2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.987 1.034 0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.806 0.128 -0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.907 1.805 -0.509 1.00 0.00 H new ATOM 434 N GLU A 29 -2.131 -1.505 1.454 1.00 0.00 N ATOM 435 CA GLU A 29 -3.183 -2.302 2.149 1.00 0.00 C ATOM 436 C GLU A 29 -3.218 -3.734 1.609 1.00 0.00 C ATOM 437 O GLU A 29 -2.480 -4.090 0.712 1.00 0.00 O ATOM 438 CB GLU A 29 -4.495 -1.581 1.839 1.00 0.00 C ATOM 439 CG GLU A 29 -4.603 -1.337 0.332 1.00 0.00 C ATOM 440 CD GLU A 29 -6.048 -1.557 -0.118 1.00 0.00 C ATOM 441 OE1 GLU A 29 -6.796 -2.162 0.633 1.00 0.00 O ATOM 442 OE2 GLU A 29 -6.383 -1.117 -1.206 1.00 0.00 O ATOM 0 H GLU A 29 -2.116 -1.593 0.438 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.999 -2.376 3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.340 -2.178 2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.536 -0.633 2.375 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.287 -0.321 0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.937 -2.012 -0.205 1.00 0.00 H new ATOM 449 N SER A 30 -4.075 -4.555 2.151 1.00 0.00 N ATOM 450 CA SER A 30 -4.164 -5.965 1.675 1.00 0.00 C ATOM 451 C SER A 30 -5.618 -6.442 1.724 1.00 0.00 C ATOM 452 O SER A 30 -6.198 -6.588 2.781 1.00 0.00 O ATOM 453 CB SER A 30 -3.300 -6.766 2.648 1.00 0.00 C ATOM 454 OG SER A 30 -3.467 -8.154 2.392 1.00 0.00 O ATOM 0 H SER A 30 -4.718 -4.310 2.904 1.00 0.00 H new ATOM 0 HA SER A 30 -3.826 -6.080 0.645 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.252 -6.487 2.536 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.582 -6.538 3.676 1.00 0.00 H new ATOM 0 HG SER A 30 -2.913 -8.670 3.014 1.00 0.00 H new ATOM 460 N TRP A 31 -6.211 -6.682 0.587 1.00 0.00 N ATOM 461 CA TRP A 31 -7.628 -7.146 0.566 1.00 0.00 C ATOM 462 C TRP A 31 -7.698 -8.654 0.816 1.00 0.00 C ATOM 463 O TRP A 31 -6.867 -9.409 0.351 1.00 0.00 O ATOM 464 CB TRP A 31 -8.132 -6.813 -0.837 1.00 0.00 C ATOM 465 CG TRP A 31 -9.539 -6.318 -0.756 1.00 0.00 C ATOM 466 CD1 TRP A 31 -10.642 -7.095 -0.836 1.00 0.00 C ATOM 467 CD2 TRP A 31 -10.012 -4.952 -0.580 1.00 0.00 C ATOM 468 NE1 TRP A 31 -11.763 -6.293 -0.720 1.00 0.00 N ATOM 469 CE2 TRP A 31 -11.426 -4.964 -0.561 1.00 0.00 C ATOM 470 CE3 TRP A 31 -9.357 -3.715 -0.438 1.00 0.00 C ATOM 471 CZ2 TRP A 31 -12.166 -3.791 -0.404 1.00 0.00 C ATOM 472 CZ3 TRP A 31 -10.097 -2.533 -0.281 1.00 0.00 C ATOM 473 CH2 TRP A 31 -11.499 -2.570 -0.264 1.00 0.00 C ATOM 0 H TRP A 31 -5.776 -6.577 -0.329 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.229 -6.669 1.341 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.495 -6.056 -1.294 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -8.082 -7.697 -1.472 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -10.647 -8.167 -0.969 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -12.721 -6.641 -0.748 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -8.278 -3.675 -0.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -13.245 -3.826 -0.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -9.584 -1.589 -0.173 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -12.063 -1.657 -0.143 1.00 0.00 H new ATOM 484 N ARG A 32 -8.684 -9.099 1.546 1.00 0.00 N ATOM 485 CA ARG A 32 -8.805 -10.559 1.822 1.00 0.00 C ATOM 486 C ARG A 32 -9.858 -11.185 0.903 1.00 0.00 C ATOM 487 O ARG A 32 -10.671 -10.499 0.316 1.00 0.00 O ATOM 488 CB ARG A 32 -9.244 -10.652 3.284 1.00 0.00 C ATOM 489 CG ARG A 32 -8.190 -11.420 4.084 1.00 0.00 C ATOM 490 CD ARG A 32 -8.770 -11.819 5.443 1.00 0.00 C ATOM 491 NE ARG A 32 -9.744 -12.905 5.142 1.00 0.00 N ATOM 492 CZ ARG A 32 -9.975 -13.838 6.024 1.00 0.00 C ATOM 493 NH1 ARG A 32 -9.199 -14.885 6.085 1.00 0.00 N ATOM 494 NH2 ARG A 32 -10.983 -13.724 6.845 1.00 0.00 N ATOM 0 H ARG A 32 -9.410 -8.516 1.963 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.871 -11.092 1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.375 -9.653 3.700 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.208 -11.156 3.354 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.878 -12.308 3.535 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.302 -10.803 4.223 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.989 -12.166 6.119 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.259 -10.974 5.927 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.231 -12.919 4.246 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.411 -14.974 5.443 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.380 -15.614 6.775 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.590 -12.906 6.797 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.164 -14.453 7.535 1.00 0.00 H new ATOM 508 N GLU A 33 -9.847 -12.483 0.772 1.00 0.00 N ATOM 509 CA GLU A 33 -10.845 -13.153 -0.111 1.00 0.00 C ATOM 510 C GLU A 33 -11.237 -14.511 0.473 1.00 0.00 C ATOM 511 O GLU A 33 -12.320 -14.686 0.997 1.00 0.00 O ATOM 512 CB GLU A 33 -10.129 -13.336 -1.449 1.00 0.00 C ATOM 513 CG GLU A 33 -10.983 -14.208 -2.372 1.00 0.00 C ATOM 514 CD GLU A 33 -10.141 -14.664 -3.566 1.00 0.00 C ATOM 515 OE1 GLU A 33 -9.941 -13.863 -4.464 1.00 0.00 O ATOM 516 OE2 GLU A 33 -9.712 -15.805 -3.562 1.00 0.00 O ATOM 0 H GLU A 33 -9.190 -13.109 1.238 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.762 -12.572 -0.213 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.949 -12.366 -1.912 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.155 -13.800 -1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.359 -15.074 -1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.851 -13.648 -2.719 1.00 0.00 H new ATOM 523 N ALA A 34 -10.363 -15.475 0.383 1.00 0.00 N ATOM 524 CA ALA A 34 -10.675 -16.829 0.928 1.00 0.00 C ATOM 525 C ALA A 34 -9.621 -17.834 0.458 1.00 0.00 C ATOM 526 O ALA A 34 -9.365 -18.829 1.107 1.00 0.00 O ATOM 527 CB ALA A 34 -12.047 -17.185 0.354 1.00 0.00 C ATOM 0 H ALA A 34 -9.442 -15.384 -0.046 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.676 -16.847 2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.346 -18.171 0.711 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.779 -16.445 0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.995 -17.194 -0.735 1.00 0.00 H new ATOM 533 N ARG A 35 -9.009 -17.580 -0.666 1.00 0.00 N ATOM 534 CA ARG A 35 -7.972 -18.520 -1.180 1.00 0.00 C ATOM 535 C ARG A 35 -6.637 -17.791 -1.357 1.00 0.00 C ATOM 536 O ARG A 35 -5.667 -18.358 -1.820 1.00 0.00 O ATOM 537 CB ARG A 35 -8.505 -18.999 -2.530 1.00 0.00 C ATOM 538 CG ARG A 35 -9.224 -20.338 -2.350 1.00 0.00 C ATOM 539 CD ARG A 35 -10.707 -20.171 -2.687 1.00 0.00 C ATOM 540 NE ARG A 35 -10.902 -20.945 -3.944 1.00 0.00 N ATOM 541 CZ ARG A 35 -12.008 -21.609 -4.138 1.00 0.00 C ATOM 542 NH1 ARG A 35 -12.273 -22.661 -3.411 1.00 0.00 N ATOM 543 NH2 ARG A 35 -12.849 -21.221 -5.057 1.00 0.00 N ATOM 0 H ARG A 35 -9.182 -16.762 -1.251 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.792 -19.349 -0.496 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.190 -18.260 -2.946 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.684 -19.107 -3.239 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.776 -21.093 -2.996 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.111 -20.689 -1.324 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.340 -20.552 -1.886 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.965 -19.121 -2.825 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.170 -20.956 -4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.615 -22.963 -2.692 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.138 -23.181 -3.562 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.642 -20.399 -5.624 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -13.714 -21.740 -5.209 1.00 0.00 H new ATOM 557 N GLY A 36 -6.578 -16.539 -0.993 1.00 0.00 N ATOM 558 CA GLY A 36 -5.304 -15.779 -1.141 1.00 0.00 C ATOM 559 C GLY A 36 -5.577 -14.282 -0.985 1.00 0.00 C ATOM 560 O GLY A 36 -6.513 -13.749 -1.547 1.00 0.00 O ATOM 0 H GLY A 36 -7.356 -16.010 -0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.584 -16.107 -0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.861 -15.978 -2.117 1.00 0.00 H new ATOM 564 N THR A 37 -4.765 -13.598 -0.225 1.00 0.00 N ATOM 565 CA THR A 37 -4.977 -12.134 -0.034 1.00 0.00 C ATOM 566 C THR A 37 -4.227 -11.347 -1.112 1.00 0.00 C ATOM 567 O THR A 37 -3.270 -11.822 -1.688 1.00 0.00 O ATOM 568 CB THR A 37 -4.401 -11.828 1.350 1.00 0.00 C ATOM 569 OG1 THR A 37 -2.986 -11.947 1.307 1.00 0.00 O ATOM 570 CG2 THR A 37 -4.968 -12.815 2.370 1.00 0.00 C ATOM 0 H THR A 37 -3.965 -13.989 0.272 1.00 0.00 H new ATOM 0 HA THR A 37 -6.028 -11.855 -0.109 1.00 0.00 H new ATOM 0 HB THR A 37 -4.672 -10.813 1.642 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.614 -11.750 2.192 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.557 -12.596 3.356 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.054 -12.723 2.401 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.698 -13.831 2.082 1.00 0.00 H new ATOM 578 N ARG A 38 -4.657 -10.145 -1.390 1.00 0.00 N ATOM 579 CA ARG A 38 -3.969 -9.330 -2.432 1.00 0.00 C ATOM 580 C ARG A 38 -3.502 -7.996 -1.840 1.00 0.00 C ATOM 581 O ARG A 38 -4.295 -7.203 -1.371 1.00 0.00 O ATOM 582 CB ARG A 38 -5.028 -9.096 -3.510 1.00 0.00 C ATOM 583 CG ARG A 38 -4.833 -10.103 -4.644 1.00 0.00 C ATOM 584 CD ARG A 38 -3.965 -9.478 -5.739 1.00 0.00 C ATOM 585 NE ARG A 38 -3.256 -10.626 -6.369 1.00 0.00 N ATOM 586 CZ ARG A 38 -2.887 -10.558 -7.619 1.00 0.00 C ATOM 587 NH1 ARG A 38 -2.419 -9.439 -8.100 1.00 0.00 N ATOM 588 NH2 ARG A 38 -2.988 -11.608 -8.386 1.00 0.00 N ATOM 0 H ARG A 38 -5.454 -9.693 -0.941 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.084 -9.827 -2.828 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.026 -9.201 -3.084 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.952 -8.079 -3.895 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.360 -11.008 -4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.799 -10.396 -5.054 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.573 -8.942 -6.467 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.260 -8.759 -5.322 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.059 -11.465 -5.824 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.342 -8.618 -7.499 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.130 -9.385 -9.077 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.355 -12.482 -8.009 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.700 -11.555 -9.363 1.00 0.00 H new ATOM 602 N ILE A 39 -2.221 -7.743 -1.858 1.00 0.00 N ATOM 603 CA ILE A 39 -1.707 -6.460 -1.297 1.00 0.00 C ATOM 604 C ILE A 39 -1.761 -5.359 -2.361 1.00 0.00 C ATOM 605 O ILE A 39 -1.286 -5.526 -3.466 1.00 0.00 O ATOM 606 CB ILE A 39 -0.261 -6.755 -0.891 1.00 0.00 C ATOM 607 CG1 ILE A 39 -0.254 -7.501 0.444 1.00 0.00 C ATOM 608 CG2 ILE A 39 0.513 -5.442 -0.741 1.00 0.00 C ATOM 609 CD1 ILE A 39 0.728 -8.672 0.373 1.00 0.00 C ATOM 0 H ILE A 39 -1.509 -8.368 -2.236 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.300 -6.109 -0.452 1.00 0.00 H new ATOM 0 HB ILE A 39 0.212 -7.367 -1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.030 -6.823 1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.255 -7.866 0.673 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.542 -5.657 -0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.507 -4.906 -1.690 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.042 -4.827 0.026 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.731 -9.202 1.325 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.424 -9.354 -0.421 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.729 -8.295 0.164 1.00 0.00 H new ATOM 621 N GLU A 40 -2.335 -4.235 -2.032 1.00 0.00 N ATOM 622 CA GLU A 40 -2.420 -3.122 -3.021 1.00 0.00 C ATOM 623 C GLU A 40 -1.566 -1.939 -2.558 1.00 0.00 C ATOM 624 O GLU A 40 -1.409 -1.699 -1.378 1.00 0.00 O ATOM 625 CB GLU A 40 -3.899 -2.737 -3.053 1.00 0.00 C ATOM 626 CG GLU A 40 -4.448 -2.933 -4.468 1.00 0.00 C ATOM 627 CD GLU A 40 -5.749 -3.735 -4.404 1.00 0.00 C ATOM 628 OE1 GLU A 40 -5.698 -4.877 -3.979 1.00 0.00 O ATOM 629 OE2 GLU A 40 -6.775 -3.193 -4.783 1.00 0.00 O ATOM 0 H GLU A 40 -2.749 -4.038 -1.121 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.053 -3.412 -4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.460 -3.348 -2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.022 -1.699 -2.744 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.627 -1.966 -4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.716 -3.455 -5.084 1.00 0.00 H new ATOM 636 N ARG A 41 -1.013 -1.198 -3.479 1.00 0.00 N ATOM 637 CA ARG A 41 -0.171 -0.031 -3.089 1.00 0.00 C ATOM 638 C ARG A 41 -0.747 1.256 -3.684 1.00 0.00 C ATOM 639 O ARG A 41 -1.889 1.303 -4.097 1.00 0.00 O ATOM 640 CB ARG A 41 1.209 -0.322 -3.680 1.00 0.00 C ATOM 641 CG ARG A 41 1.631 -1.750 -3.325 1.00 0.00 C ATOM 642 CD ARG A 41 2.044 -2.491 -4.598 1.00 0.00 C ATOM 643 NE ARG A 41 1.135 -3.669 -4.669 1.00 0.00 N ATOM 644 CZ ARG A 41 0.951 -4.287 -5.805 1.00 0.00 C ATOM 645 NH1 ARG A 41 1.663 -3.963 -6.851 1.00 0.00 N ATOM 646 NH2 ARG A 41 0.054 -5.230 -5.894 1.00 0.00 N ATOM 0 H ARG A 41 -1.107 -1.350 -4.483 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.131 0.107 -2.008 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.185 -0.198 -4.763 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.938 0.390 -3.294 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.460 -1.730 -2.618 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.808 -2.273 -2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.937 -1.856 -5.477 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.088 -2.800 -4.554 1.00 0.00 H new ATOM 0 HE ARG A 41 0.656 -3.994 -3.829 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.365 -3.226 -6.782 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.517 -4.447 -7.737 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.502 -5.484 -5.077 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.091 -5.714 -6.780 1.00 0.00 H new ATOM 660 N GLY A 42 0.034 2.301 -3.731 1.00 0.00 N ATOM 661 CA GLY A 42 -0.471 3.582 -4.300 1.00 0.00 C ATOM 662 C GLY A 42 -0.163 4.728 -3.336 1.00 0.00 C ATOM 663 O GLY A 42 -0.215 4.571 -2.132 1.00 0.00 O ATOM 0 H GLY A 42 0.999 2.323 -3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.004 3.771 -5.267 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.545 3.517 -4.472 1.00 0.00 H new ATOM 667 N CYS A 43 0.158 5.882 -3.855 1.00 0.00 N ATOM 668 CA CYS A 43 0.468 7.039 -2.968 1.00 0.00 C ATOM 669 C CYS A 43 -0.630 8.099 -3.077 1.00 0.00 C ATOM 670 O CYS A 43 -0.998 8.516 -4.157 1.00 0.00 O ATOM 671 CB CYS A 43 1.798 7.589 -3.482 1.00 0.00 C ATOM 672 SG CYS A 43 1.645 7.994 -5.239 1.00 0.00 S ATOM 0 H CYS A 43 0.219 6.073 -4.855 1.00 0.00 H new ATOM 0 HA CYS A 43 0.526 6.750 -1.919 1.00 0.00 H new ATOM 0 HB2 CYS A 43 2.079 8.477 -2.916 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.589 6.854 -3.335 1.00 0.00 H new ATOM 677 N ALA A 44 -1.158 8.535 -1.967 1.00 0.00 N ATOM 678 CA ALA A 44 -2.234 9.566 -2.009 1.00 0.00 C ATOM 679 C ALA A 44 -2.350 10.265 -0.652 1.00 0.00 C ATOM 680 O ALA A 44 -1.366 10.522 0.013 1.00 0.00 O ATOM 681 CB ALA A 44 -3.512 8.787 -2.321 1.00 0.00 C ATOM 0 H ALA A 44 -0.892 8.223 -1.033 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.036 10.341 -2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.355 9.476 -2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.403 8.278 -3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.690 8.051 -1.537 1.00 0.00 H new ATOM 687 N ALA A 45 -3.548 10.571 -0.235 1.00 0.00 N ATOM 688 CA ALA A 45 -3.733 11.250 1.079 1.00 0.00 C ATOM 689 C ALA A 45 -4.937 10.651 1.809 1.00 0.00 C ATOM 690 O ALA A 45 -5.401 11.178 2.801 1.00 0.00 O ATOM 691 CB ALA A 45 -3.987 12.718 0.737 1.00 0.00 C ATOM 0 H ALA A 45 -4.408 10.380 -0.748 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.869 11.132 1.733 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.133 13.286 1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.130 13.119 0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.879 12.798 0.115 1.00 0.00 H new ATOM 697 N THR A 46 -5.447 9.553 1.323 1.00 0.00 N ATOM 698 CA THR A 46 -6.622 8.918 1.984 1.00 0.00 C ATOM 699 C THR A 46 -6.258 7.514 2.475 1.00 0.00 C ATOM 700 O THR A 46 -5.863 6.660 1.707 1.00 0.00 O ATOM 701 CB THR A 46 -7.693 8.846 0.895 1.00 0.00 C ATOM 702 OG1 THR A 46 -7.190 8.110 -0.212 1.00 0.00 O ATOM 703 CG2 THR A 46 -8.060 10.261 0.446 1.00 0.00 C ATOM 0 H THR A 46 -5.100 9.067 0.496 1.00 0.00 H new ATOM 0 HA THR A 46 -6.962 9.479 2.855 1.00 0.00 H new ATOM 0 HB THR A 46 -8.581 8.350 1.288 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.519 7.467 0.100 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.823 10.210 -0.330 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.444 10.824 1.296 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.174 10.759 0.051 1.00 0.00 H new ATOM 711 N CYS A 47 -6.390 7.270 3.750 1.00 0.00 N ATOM 712 CA CYS A 47 -6.054 5.922 4.293 1.00 0.00 C ATOM 713 C CYS A 47 -7.295 5.284 4.924 1.00 0.00 C ATOM 714 O CYS A 47 -7.470 5.322 6.126 1.00 0.00 O ATOM 715 CB CYS A 47 -4.985 6.179 5.357 1.00 0.00 C ATOM 716 SG CYS A 47 -3.339 6.003 4.621 1.00 0.00 S ATOM 0 H CYS A 47 -6.716 7.946 4.440 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.703 5.240 3.519 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.104 7.180 5.772 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.102 5.476 6.182 1.00 0.00 H new ATOM 721 N PRO A 48 -8.120 4.718 4.085 1.00 0.00 N ATOM 722 CA PRO A 48 -9.366 4.066 4.559 1.00 0.00 C ATOM 723 C PRO A 48 -9.047 2.743 5.263 1.00 0.00 C ATOM 724 O PRO A 48 -7.933 2.260 5.223 1.00 0.00 O ATOM 725 CB PRO A 48 -10.154 3.824 3.276 1.00 0.00 C ATOM 726 CG PRO A 48 -9.125 3.766 2.192 1.00 0.00 C ATOM 727 CD PRO A 48 -7.972 4.634 2.628 1.00 0.00 C ATOM 0 HA PRO A 48 -9.915 4.668 5.283 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.721 2.895 3.331 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.871 4.625 3.097 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -8.795 2.740 2.029 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -9.539 4.121 1.248 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.014 4.195 2.349 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.017 5.620 2.165 1.00 0.00 H new ATOM 735 N LYS A 49 -10.018 2.156 5.909 1.00 0.00 N ATOM 736 CA LYS A 49 -9.773 0.867 6.618 1.00 0.00 C ATOM 737 C LYS A 49 -10.709 -0.221 6.082 1.00 0.00 C ATOM 738 O LYS A 49 -11.166 -0.162 4.957 1.00 0.00 O ATOM 739 CB LYS A 49 -10.078 1.163 8.087 1.00 0.00 C ATOM 740 CG LYS A 49 -8.811 0.966 8.922 1.00 0.00 C ATOM 741 CD LYS A 49 -9.140 0.136 10.165 1.00 0.00 C ATOM 742 CE LYS A 49 -7.904 -0.660 10.588 1.00 0.00 C ATOM 743 NZ LYS A 49 -8.313 -1.377 11.829 1.00 0.00 N ATOM 0 H LYS A 49 -10.971 2.514 5.977 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.755 0.504 6.477 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.442 2.185 8.195 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.868 0.503 8.445 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.047 0.464 8.329 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.403 1.933 9.216 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.461 0.789 10.977 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.968 -0.541 9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.600 -1.360 9.810 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.055 -0.002 10.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.516 -1.946 12.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.590 -0.685 12.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.118 -2.001 11.620 1.00 0.00 H new ATOM 757 N GLY A 50 -10.998 -1.213 6.879 1.00 0.00 N ATOM 758 CA GLY A 50 -11.903 -2.303 6.416 1.00 0.00 C ATOM 759 C GLY A 50 -12.517 -3.005 7.628 1.00 0.00 C ATOM 760 O GLY A 50 -12.373 -2.566 8.752 1.00 0.00 O ATOM 0 H GLY A 50 -10.647 -1.316 7.831 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.690 -1.893 5.783 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.347 -3.019 5.810 1.00 0.00 H new ATOM 764 N SER A 51 -13.203 -4.095 7.410 1.00 0.00 N ATOM 765 CA SER A 51 -13.827 -4.829 8.550 1.00 0.00 C ATOM 766 C SER A 51 -14.777 -5.907 8.023 1.00 0.00 C ATOM 767 O SER A 51 -14.682 -7.063 8.385 1.00 0.00 O ATOM 768 CB SER A 51 -14.602 -3.769 9.333 1.00 0.00 C ATOM 769 OG SER A 51 -15.075 -2.774 8.435 1.00 0.00 O ATOM 0 H SER A 51 -13.359 -4.509 6.491 1.00 0.00 H new ATOM 0 HA SER A 51 -13.086 -5.331 9.172 1.00 0.00 H new ATOM 0 HB2 SER A 51 -15.439 -4.228 9.859 1.00 0.00 H new ATOM 0 HB3 SER A 51 -13.960 -3.317 10.089 1.00 0.00 H new ATOM 0 HG SER A 51 -15.574 -2.094 8.934 1.00 0.00 H new ATOM 775 N VAL A 52 -15.690 -5.538 7.167 1.00 0.00 N ATOM 776 CA VAL A 52 -16.643 -6.543 6.616 1.00 0.00 C ATOM 777 C VAL A 52 -15.877 -7.630 5.859 1.00 0.00 C ATOM 778 O VAL A 52 -16.362 -8.728 5.667 1.00 0.00 O ATOM 779 CB VAL A 52 -17.541 -5.754 5.662 1.00 0.00 C ATOM 780 CG1 VAL A 52 -18.428 -6.722 4.878 1.00 0.00 C ATOM 781 CG2 VAL A 52 -18.421 -4.796 6.467 1.00 0.00 C ATOM 0 H VAL A 52 -15.817 -4.585 6.826 1.00 0.00 H new ATOM 0 HA VAL A 52 -17.218 -7.042 7.395 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.922 -5.185 4.968 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -19.068 -6.160 4.198 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.802 -7.406 4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -19.047 -7.291 5.571 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -19.062 -4.233 5.788 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -19.039 -5.366 7.161 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.790 -4.106 7.027 1.00 0.00 H new ATOM 791 N TYR A 53 -14.681 -7.333 5.430 1.00 0.00 N ATOM 792 CA TYR A 53 -13.879 -8.347 4.687 1.00 0.00 C ATOM 793 C TYR A 53 -12.652 -8.749 5.509 1.00 0.00 C ATOM 794 O TYR A 53 -12.404 -9.916 5.742 1.00 0.00 O ATOM 795 CB TYR A 53 -13.456 -7.648 3.395 1.00 0.00 C ATOM 796 CG TYR A 53 -14.565 -7.757 2.377 1.00 0.00 C ATOM 797 CD1 TYR A 53 -15.832 -7.233 2.664 1.00 0.00 C ATOM 798 CD2 TYR A 53 -14.329 -8.382 1.148 1.00 0.00 C ATOM 799 CE1 TYR A 53 -16.861 -7.335 1.721 1.00 0.00 C ATOM 800 CE2 TYR A 53 -15.358 -8.484 0.204 1.00 0.00 C ATOM 801 CZ TYR A 53 -16.625 -7.960 0.491 1.00 0.00 C ATOM 802 OH TYR A 53 -17.640 -8.060 -0.439 1.00 0.00 O ATOM 0 H TYR A 53 -14.224 -6.431 5.562 1.00 0.00 H new ATOM 0 HA TYR A 53 -14.442 -9.259 4.489 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -13.231 -6.600 3.593 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -12.545 -8.101 3.005 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -16.015 -6.750 3.613 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -13.352 -8.786 0.927 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -17.838 -6.931 1.942 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -15.175 -8.966 -0.745 1.00 0.00 H new ATOM 0 HH TYR A 53 -17.308 -8.520 -1.238 1.00 0.00 H new ATOM 812 N GLY A 54 -11.884 -7.792 5.953 1.00 0.00 N ATOM 813 CA GLY A 54 -10.676 -8.119 6.761 1.00 0.00 C ATOM 814 C GLY A 54 -9.418 -7.720 5.988 1.00 0.00 C ATOM 815 O GLY A 54 -8.454 -8.458 5.929 1.00 0.00 O ATOM 0 H GLY A 54 -12.041 -6.797 5.791 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.711 -7.593 7.715 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.654 -9.185 6.986 1.00 0.00 H new ATOM 819 N LEU A 55 -9.418 -6.558 5.393 1.00 0.00 N ATOM 820 CA LEU A 55 -8.220 -6.115 4.626 1.00 0.00 C ATOM 821 C LEU A 55 -7.228 -5.412 5.557 1.00 0.00 C ATOM 822 O LEU A 55 -7.581 -4.962 6.629 1.00 0.00 O ATOM 823 CB LEU A 55 -8.757 -5.141 3.576 1.00 0.00 C ATOM 824 CG LEU A 55 -9.231 -3.860 4.263 1.00 0.00 C ATOM 825 CD1 LEU A 55 -8.087 -2.844 4.292 1.00 0.00 C ATOM 826 CD2 LEU A 55 -10.413 -3.274 3.487 1.00 0.00 C ATOM 0 H LEU A 55 -10.195 -5.897 5.405 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.689 -6.950 4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.979 -4.909 2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.581 -5.598 3.028 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.541 -4.087 5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.424 -1.930 4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.244 -3.261 4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.777 -2.616 3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.752 -2.361 3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.102 -3.046 2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.228 -3.997 3.464 1.00 0.00 H new ATOM 838 N TYR A 56 -5.989 -5.315 5.158 1.00 0.00 N ATOM 839 CA TYR A 56 -4.978 -4.642 6.024 1.00 0.00 C ATOM 840 C TYR A 56 -4.677 -3.238 5.493 1.00 0.00 C ATOM 841 O TYR A 56 -4.668 -3.004 4.300 1.00 0.00 O ATOM 842 CB TYR A 56 -3.735 -5.526 5.941 1.00 0.00 C ATOM 843 CG TYR A 56 -2.929 -5.381 7.209 1.00 0.00 C ATOM 844 CD1 TYR A 56 -2.244 -4.189 7.471 1.00 0.00 C ATOM 845 CD2 TYR A 56 -2.868 -6.439 8.124 1.00 0.00 C ATOM 846 CE1 TYR A 56 -1.498 -4.054 8.648 1.00 0.00 C ATOM 847 CE2 TYR A 56 -2.122 -6.304 9.301 1.00 0.00 C ATOM 848 CZ TYR A 56 -1.437 -5.112 9.563 1.00 0.00 C ATOM 849 OH TYR A 56 -0.701 -4.980 10.723 1.00 0.00 O ATOM 0 H TYR A 56 -5.633 -5.672 4.271 1.00 0.00 H new ATOM 0 HA TYR A 56 -5.326 -4.524 7.050 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.025 -6.567 5.799 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.131 -5.243 5.079 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.291 -3.373 6.765 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.396 -7.359 7.922 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.970 -3.134 8.850 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.075 -7.120 10.007 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.766 -5.806 11.247 1.00 0.00 H new ATOM 859 N VAL A 57 -4.436 -2.300 6.369 1.00 0.00 N ATOM 860 CA VAL A 57 -4.143 -0.913 5.915 1.00 0.00 C ATOM 861 C VAL A 57 -2.868 -0.390 6.585 1.00 0.00 C ATOM 862 O VAL A 57 -2.675 -0.538 7.775 1.00 0.00 O ATOM 863 CB VAL A 57 -5.353 -0.099 6.363 1.00 0.00 C ATOM 864 CG1 VAL A 57 -6.563 -0.462 5.500 1.00 0.00 C ATOM 865 CG2 VAL A 57 -5.658 -0.411 7.830 1.00 0.00 C ATOM 0 H VAL A 57 -4.430 -2.436 7.380 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.979 -0.854 4.839 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.138 0.964 6.253 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.427 0.120 5.821 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.344 -0.241 4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.781 -1.524 5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.522 0.169 8.153 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.873 -1.474 7.939 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.796 -0.151 8.444 1.00 0.00 H new ATOM 875 N LEU A 58 -2.000 0.227 5.830 1.00 0.00 N ATOM 876 CA LEU A 58 -0.743 0.765 6.424 1.00 0.00 C ATOM 877 C LEU A 58 -0.222 1.932 5.580 1.00 0.00 C ATOM 878 O LEU A 58 0.142 1.767 4.432 1.00 0.00 O ATOM 879 CB LEU A 58 0.245 -0.403 6.401 1.00 0.00 C ATOM 880 CG LEU A 58 1.367 -0.141 7.407 1.00 0.00 C ATOM 881 CD1 LEU A 58 2.026 -1.465 7.798 1.00 0.00 C ATOM 882 CD2 LEU A 58 2.412 0.781 6.774 1.00 0.00 C ATOM 0 H LEU A 58 -2.107 0.382 4.828 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.893 1.145 7.435 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.268 -1.333 6.647 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.660 -0.523 5.400 1.00 0.00 H new ATOM 0 HG LEU A 58 0.952 0.333 8.297 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.825 -1.276 8.515 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.282 -2.122 8.249 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.441 -1.941 6.910 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.213 0.969 7.490 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.825 0.306 5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.944 1.726 6.497 1.00 0.00 H new ATOM 894 N CYS A 59 -0.188 3.110 6.139 1.00 0.00 N ATOM 895 CA CYS A 59 0.306 4.290 5.368 1.00 0.00 C ATOM 896 C CYS A 59 1.769 4.568 5.730 1.00 0.00 C ATOM 897 O CYS A 59 2.276 4.065 6.713 1.00 0.00 O ATOM 898 CB CYS A 59 -0.589 5.463 5.797 1.00 0.00 C ATOM 899 SG CYS A 59 -2.309 4.909 5.971 1.00 0.00 S ATOM 0 H CYS A 59 -0.480 3.308 7.096 1.00 0.00 H new ATOM 0 HA CYS A 59 0.263 4.128 4.291 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.234 5.874 6.742 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -0.530 6.263 5.060 1.00 0.00 H new ATOM 904 N CYS A 60 2.455 5.359 4.948 1.00 0.00 N ATOM 905 CA CYS A 60 3.885 5.650 5.266 1.00 0.00 C ATOM 906 C CYS A 60 4.301 7.019 4.715 1.00 0.00 C ATOM 907 O CYS A 60 3.709 7.536 3.787 1.00 0.00 O ATOM 908 CB CYS A 60 4.684 4.549 4.570 1.00 0.00 C ATOM 909 SG CYS A 60 5.604 3.591 5.798 1.00 0.00 S ATOM 0 H CYS A 60 2.092 5.813 4.110 1.00 0.00 H new ATOM 0 HA CYS A 60 4.056 5.674 6.342 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.012 3.895 4.014 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.372 4.988 3.847 1.00 0.00 H new ATOM 914 N THR A 61 5.332 7.597 5.274 1.00 0.00 N ATOM 915 CA THR A 61 5.814 8.916 4.789 1.00 0.00 C ATOM 916 C THR A 61 7.308 9.083 5.104 1.00 0.00 C ATOM 917 O THR A 61 7.824 8.497 6.035 1.00 0.00 O ATOM 918 CB THR A 61 4.986 9.951 5.553 1.00 0.00 C ATOM 919 OG1 THR A 61 5.270 11.248 5.046 1.00 0.00 O ATOM 920 CG2 THR A 61 5.339 9.893 7.040 1.00 0.00 C ATOM 0 H THR A 61 5.862 7.205 6.052 1.00 0.00 H new ATOM 0 HA THR A 61 5.702 9.023 3.710 1.00 0.00 H new ATOM 0 HB THR A 61 3.925 9.735 5.426 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.739 11.913 5.533 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.749 10.631 7.583 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.121 8.898 7.427 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.399 10.109 7.171 1.00 0.00 H new ATOM 928 N THR A 62 8.003 9.888 4.338 1.00 0.00 N ATOM 929 CA THR A 62 9.463 10.112 4.589 1.00 0.00 C ATOM 930 C THR A 62 10.295 8.885 4.190 1.00 0.00 C ATOM 931 O THR A 62 9.984 7.768 4.547 1.00 0.00 O ATOM 932 CB THR A 62 9.577 10.366 6.095 1.00 0.00 C ATOM 933 OG1 THR A 62 8.399 11.014 6.554 1.00 0.00 O ATOM 934 CG2 THR A 62 10.792 11.251 6.377 1.00 0.00 C ATOM 0 H THR A 62 7.620 10.403 3.545 1.00 0.00 H new ATOM 0 HA THR A 62 9.844 10.945 3.998 1.00 0.00 H new ATOM 0 HB THR A 62 9.696 9.416 6.615 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.469 11.176 7.518 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.871 11.430 7.449 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.695 10.752 6.025 1.00 0.00 H new ATOM 0 HG23 THR A 62 10.677 12.202 5.858 1.00 0.00 H new ATOM 942 N ASP A 63 11.364 9.101 3.461 1.00 0.00 N ATOM 943 CA ASP A 63 12.249 7.970 3.036 1.00 0.00 C ATOM 944 C ASP A 63 11.427 6.769 2.558 1.00 0.00 C ATOM 945 O ASP A 63 10.900 6.016 3.350 1.00 0.00 O ATOM 946 CB ASP A 63 13.047 7.604 4.287 1.00 0.00 C ATOM 947 CG ASP A 63 14.294 6.816 3.884 1.00 0.00 C ATOM 948 OD1 ASP A 63 14.175 5.953 3.030 1.00 0.00 O ATOM 949 OD2 ASP A 63 15.347 7.089 4.435 1.00 0.00 O ATOM 0 H ASP A 63 11.664 10.021 3.139 1.00 0.00 H new ATOM 0 HA ASP A 63 12.889 8.254 2.201 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.333 8.507 4.826 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.432 7.011 4.963 1.00 0.00 H new ATOM 954 N ASP A 64 11.327 6.576 1.268 1.00 0.00 N ATOM 955 CA ASP A 64 10.541 5.413 0.744 1.00 0.00 C ATOM 956 C ASP A 64 9.079 5.502 1.208 1.00 0.00 C ATOM 957 O ASP A 64 8.196 5.814 0.433 1.00 0.00 O ATOM 958 CB ASP A 64 11.217 4.179 1.341 1.00 0.00 C ATOM 959 CG ASP A 64 12.070 3.494 0.271 1.00 0.00 C ATOM 960 OD1 ASP A 64 13.183 3.943 0.051 1.00 0.00 O ATOM 961 OD2 ASP A 64 11.595 2.532 -0.310 1.00 0.00 O ATOM 0 H ASP A 64 11.753 7.169 0.556 1.00 0.00 H new ATOM 0 HA ASP A 64 10.525 5.385 -0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.840 4.467 2.188 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.465 3.487 1.719 1.00 0.00 H new ATOM 966 N CYS A 65 8.811 5.254 2.467 1.00 0.00 N ATOM 967 CA CYS A 65 7.421 5.349 2.969 1.00 0.00 C ATOM 968 C CYS A 65 6.732 6.603 2.412 1.00 0.00 C ATOM 969 O CYS A 65 5.522 6.673 2.351 1.00 0.00 O ATOM 970 CB CYS A 65 7.579 5.446 4.486 1.00 0.00 C ATOM 971 SG CYS A 65 7.524 3.789 5.211 1.00 0.00 S ATOM 0 H CYS A 65 9.505 4.989 3.166 1.00 0.00 H new ATOM 0 HA CYS A 65 6.805 4.502 2.667 1.00 0.00 H new ATOM 0 HB2 CYS A 65 8.524 5.930 4.733 1.00 0.00 H new ATOM 0 HB3 CYS A 65 6.785 6.064 4.905 1.00 0.00 H new ATOM 976 N ASN A 66 7.493 7.592 2.012 1.00 0.00 N ATOM 977 CA ASN A 66 6.885 8.841 1.457 1.00 0.00 C ATOM 978 C ASN A 66 5.659 8.511 0.601 1.00 0.00 C ATOM 979 O ASN A 66 5.840 8.212 -0.567 1.00 0.00 O ATOM 980 CB ASN A 66 7.984 9.459 0.591 1.00 0.00 C ATOM 981 CG ASN A 66 8.785 10.467 1.418 1.00 0.00 C ATOM 982 OD1 ASN A 66 8.232 11.176 2.235 1.00 0.00 O ATOM 983 ND2 ASN A 66 10.074 10.562 1.238 1.00 0.00 N ATOM 984 OXT ASN A 66 4.560 8.564 1.129 1.00 0.00 O ATOM 0 H ASN A 66 8.512 7.588 2.046 1.00 0.00 H new ATOM 0 HA ASN A 66 6.547 9.515 2.244 1.00 0.00 H new ATOM 0 HB2 ASN A 66 8.644 8.679 0.212 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.544 9.953 -0.275 1.00 0.00 H new ATOM 0 HD21 ASN A 66 10.617 11.231 1.783 1.00 0.00 H new ATOM 0 HD22 ASN A 66 10.538 9.967 0.552 1.00 0.00 H new TER 991 ASN A 66