USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 412 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 8 SER OG : rot -49:sc= -2.37 USER MOD Set 1.2: A 40 ASN : amide:sc= -3.68 K(o=-6,f=-12!) USER MOD Single : A 1 ILE N :NH3+ 135:sc= -0.136 (180deg=-0.568) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -64:sc= -0.586 USER MOD Single : A 21 TYR OH : rot 180:sc= -2.05 USER MOD Single : A 23 ASN : amide:sc= 0.129 X(o=0.13,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.893 USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.0203) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.265 K(o=-0.26,f=-6.4!) USER MOD Single : A 41 LYS NZ :NH3+ 165:sc= -1.05 (180deg=-1.56) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 5.311 14.280 3.837 1.00 0.00 N ATOM 2 CA ILE A 1 4.890 12.877 3.591 1.00 0.00 C ATOM 3 C ILE A 1 5.925 12.131 2.757 1.00 0.00 C ATOM 4 O ILE A 1 5.874 12.145 1.527 1.00 0.00 O ATOM 5 CB ILE A 1 3.530 12.819 2.868 1.00 0.00 C ATOM 6 CG1 ILE A 1 3.541 13.727 1.637 1.00 0.00 C ATOM 7 CG2 ILE A 1 2.408 13.214 3.817 1.00 0.00 C ATOM 8 CD1 ILE A 1 2.912 13.096 0.414 1.00 0.00 C ATOM 0 H1 ILE A 1 4.505 14.917 3.677 1.00 0.00 H new ATOM 0 H2 ILE A 1 5.639 14.377 4.819 1.00 0.00 H new ATOM 0 H3 ILE A 1 6.084 14.530 3.187 1.00 0.00 H new ATOM 0 HA ILE A 1 4.798 12.398 4.566 1.00 0.00 H new ATOM 0 HB ILE A 1 3.355 11.795 2.537 1.00 0.00 H new ATOM 0 HG12 ILE A 1 3.012 14.650 1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 1 4.571 14.000 1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 1 1.454 13.168 3.292 1.00 0.00 H new ATOM 0 HG22 ILE A 1 2.389 12.528 4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 1 2.576 14.229 4.176 1.00 0.00 H new ATOM 0 HD11 ILE A 1 2.955 13.797 -0.420 1.00 0.00 H new ATOM 0 HD12 ILE A 1 3.455 12.188 0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 1 1.872 12.849 0.626 1.00 0.00 H new ATOM 22 N ASP A 2 6.866 11.481 3.435 1.00 0.00 N ATOM 23 CA ASP A 2 7.917 10.729 2.757 1.00 0.00 C ATOM 24 C ASP A 2 7.645 9.225 2.802 1.00 0.00 C ATOM 25 O ASP A 2 8.428 8.430 2.282 1.00 0.00 O ATOM 26 CB ASP A 2 9.275 11.029 3.393 1.00 0.00 C ATOM 27 CG ASP A 2 10.420 10.864 2.413 1.00 0.00 C ATOM 28 OD1 ASP A 2 10.761 9.708 2.087 1.00 0.00 O ATOM 29 OD2 ASP A 2 10.978 11.891 1.972 1.00 0.00 O ATOM 0 H ASP A 2 6.922 11.460 4.453 1.00 0.00 H new ATOM 0 HA ASP A 2 7.929 11.041 1.713 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.275 12.048 3.780 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.430 10.365 4.244 1.00 0.00 H new ATOM 34 N THR A 3 6.535 8.838 3.426 1.00 0.00 N ATOM 35 CA THR A 3 6.172 7.429 3.533 1.00 0.00 C ATOM 36 C THR A 3 5.523 6.933 2.245 1.00 0.00 C ATOM 37 O THR A 3 5.649 5.762 1.884 1.00 0.00 O ATOM 38 CB THR A 3 5.219 7.219 4.711 1.00 0.00 C ATOM 39 OG1 THR A 3 5.755 7.782 5.895 1.00 0.00 O ATOM 40 CG2 THR A 3 4.922 5.761 4.989 1.00 0.00 C ATOM 0 H THR A 3 5.873 9.479 3.864 1.00 0.00 H new ATOM 0 HA THR A 3 7.083 6.855 3.701 1.00 0.00 H new ATOM 0 HB THR A 3 4.291 7.713 4.423 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.131 7.639 6.637 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.240 5.684 5.836 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.461 5.310 4.110 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.850 5.238 5.221 1.00 0.00 H new ATOM 48 N CYS A 4 4.829 7.832 1.553 1.00 0.00 N ATOM 49 CA CYS A 4 4.158 7.487 0.303 1.00 0.00 C ATOM 50 C CYS A 4 5.162 7.285 -0.833 1.00 0.00 C ATOM 51 O CYS A 4 4.790 6.865 -1.929 1.00 0.00 O ATOM 52 CB CYS A 4 3.159 8.581 -0.079 1.00 0.00 C ATOM 53 SG CYS A 4 1.782 8.780 1.100 1.00 0.00 S ATOM 0 H CYS A 4 4.716 8.805 1.837 1.00 0.00 H new ATOM 0 HA CYS A 4 3.627 6.548 0.459 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.690 9.529 -0.164 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.750 8.356 -1.064 1.00 0.00 H new ATOM 58 N ARG A 5 6.432 7.590 -0.573 1.00 0.00 N ATOM 59 CA ARG A 5 7.475 7.443 -1.584 1.00 0.00 C ATOM 60 C ARG A 5 8.097 6.050 -1.532 1.00 0.00 C ATOM 61 O ARG A 5 8.588 5.541 -2.540 1.00 0.00 O ATOM 62 CB ARG A 5 8.565 8.505 -1.394 1.00 0.00 C ATOM 63 CG ARG A 5 8.095 9.745 -0.648 1.00 0.00 C ATOM 64 CD ARG A 5 8.755 11.005 -1.184 1.00 0.00 C ATOM 65 NE ARG A 5 8.131 12.214 -0.653 1.00 0.00 N ATOM 66 CZ ARG A 5 8.341 13.434 -1.140 1.00 0.00 C ATOM 67 NH1 ARG A 5 9.156 13.612 -2.173 1.00 0.00 N ATOM 68 NH2 ARG A 5 7.733 14.479 -0.596 1.00 0.00 N ATOM 0 H ARG A 5 6.762 7.939 0.327 1.00 0.00 H new ATOM 0 HA ARG A 5 7.011 7.580 -2.561 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.400 8.061 -0.852 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.943 8.803 -2.372 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.012 9.835 -0.737 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.320 9.639 0.413 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.814 10.999 -0.925 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.693 11.012 -2.272 1.00 0.00 H new ATOM 0 HE ARG A 5 7.496 12.117 0.139 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.624 12.811 -2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.314 14.550 -2.543 1.00 0.00 H new ATOM 0 HH21 ARG A 5 7.104 14.348 0.196 1.00 0.00 H new ATOM 0 HH22 ARG A 5 7.894 15.414 -0.970 1.00 0.00 H new ATOM 82 N LEU A 6 8.079 5.439 -0.351 1.00 0.00 N ATOM 83 CA LEU A 6 8.645 4.106 -0.173 1.00 0.00 C ATOM 84 C LEU A 6 7.951 3.091 -1.083 1.00 0.00 C ATOM 85 O LEU A 6 6.723 3.041 -1.137 1.00 0.00 O ATOM 86 CB LEU A 6 8.518 3.668 1.288 1.00 0.00 C ATOM 87 CG LEU A 6 8.922 4.722 2.322 1.00 0.00 C ATOM 88 CD1 LEU A 6 8.901 4.131 3.722 1.00 0.00 C ATOM 89 CD2 LEU A 6 10.300 5.284 2.000 1.00 0.00 C ATOM 0 H LEU A 6 7.679 5.845 0.495 1.00 0.00 H new ATOM 0 HA LEU A 6 9.700 4.147 -0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.484 3.377 1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.132 2.780 1.439 1.00 0.00 H new ATOM 0 HG LEU A 6 8.200 5.537 2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.191 4.895 4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.896 3.777 3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.601 3.297 3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.571 6.032 2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.033 4.478 2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 6 10.283 5.745 1.013 1.00 0.00 H new ATOM 101 N PRO A 7 8.723 2.264 -1.816 1.00 0.00 N ATOM 102 CA PRO A 7 8.166 1.258 -2.717 1.00 0.00 C ATOM 103 C PRO A 7 7.744 -0.009 -1.980 1.00 0.00 C ATOM 104 O PRO A 7 8.586 -0.755 -1.478 1.00 0.00 O ATOM 105 CB PRO A 7 9.318 0.950 -3.689 1.00 0.00 C ATOM 106 CG PRO A 7 10.491 1.767 -3.233 1.00 0.00 C ATOM 107 CD PRO A 7 10.188 2.233 -1.836 1.00 0.00 C ATOM 0 HA PRO A 7 7.264 1.620 -3.212 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.559 -0.113 -3.680 1.00 0.00 H new ATOM 0 HB3 PRO A 7 9.041 1.206 -4.712 1.00 0.00 H new ATOM 0 HG2 PRO A 7 11.405 1.173 -3.251 1.00 0.00 H new ATOM 0 HG3 PRO A 7 10.650 2.617 -3.897 1.00 0.00 H new ATOM 0 HD2 PRO A 7 10.589 1.551 -1.086 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.616 3.215 -1.635 1.00 0.00 H new ATOM 115 N SER A 8 6.439 -0.251 -1.919 1.00 0.00 N ATOM 116 CA SER A 8 5.913 -1.433 -1.245 1.00 0.00 C ATOM 117 C SER A 8 6.012 -2.660 -2.147 1.00 0.00 C ATOM 118 O SER A 8 5.618 -2.619 -3.312 1.00 0.00 O ATOM 119 CB SER A 8 4.458 -1.206 -0.828 1.00 0.00 C ATOM 120 OG SER A 8 4.381 -0.648 0.473 1.00 0.00 O ATOM 0 H SER A 8 5.727 0.354 -2.327 1.00 0.00 H new ATOM 0 HA SER A 8 6.513 -1.610 -0.353 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.971 -0.541 -1.542 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.917 -2.152 -0.854 1.00 0.00 H new ATOM 0 HG SER A 8 4.945 -1.166 1.085 1.00 0.00 H new ATOM 126 N ASP A 9 6.541 -3.751 -1.601 1.00 0.00 N ATOM 127 CA ASP A 9 6.692 -4.989 -2.359 1.00 0.00 C ATOM 128 C ASP A 9 5.451 -5.864 -2.219 1.00 0.00 C ATOM 129 O ASP A 9 4.760 -5.822 -1.201 1.00 0.00 O ATOM 130 CB ASP A 9 7.931 -5.753 -1.888 1.00 0.00 C ATOM 131 CG ASP A 9 8.895 -6.048 -3.022 1.00 0.00 C ATOM 132 OD1 ASP A 9 9.385 -5.086 -3.650 1.00 0.00 O ATOM 133 OD2 ASP A 9 9.158 -7.241 -3.282 1.00 0.00 O ATOM 0 H ASP A 9 6.872 -3.803 -0.638 1.00 0.00 H new ATOM 0 HA ASP A 9 6.815 -4.732 -3.411 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.443 -5.172 -1.121 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.622 -6.690 -1.424 1.00 0.00 H new ATOM 138 N ARG A 10 5.169 -6.652 -3.252 1.00 0.00 N ATOM 139 CA ARG A 10 4.007 -7.531 -3.249 1.00 0.00 C ATOM 140 C ARG A 10 4.330 -8.893 -2.638 1.00 0.00 C ATOM 141 O ARG A 10 3.426 -9.679 -2.359 1.00 0.00 O ATOM 142 CB ARG A 10 3.483 -7.709 -4.673 1.00 0.00 C ATOM 143 CG ARG A 10 2.784 -6.476 -5.218 1.00 0.00 C ATOM 144 CD ARG A 10 2.552 -6.584 -6.714 1.00 0.00 C ATOM 145 NE ARG A 10 1.757 -7.759 -7.058 1.00 0.00 N ATOM 146 CZ ARG A 10 1.118 -7.909 -8.217 1.00 0.00 C ATOM 147 NH1 ARG A 10 1.159 -6.950 -9.133 1.00 0.00 N ATOM 148 NH2 ARG A 10 0.439 -9.020 -8.462 1.00 0.00 N ATOM 0 H ARG A 10 5.731 -6.699 -4.102 1.00 0.00 H new ATOM 0 HA ARG A 10 3.239 -7.064 -2.633 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.315 -7.965 -5.329 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.790 -8.550 -4.694 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.829 -6.343 -4.709 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.385 -5.592 -5.005 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.045 -5.686 -7.069 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.512 -6.632 -7.228 1.00 0.00 H new ATOM 0 HE ARG A 10 1.687 -8.509 -6.370 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.682 -6.093 -8.951 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.668 -7.070 -10.019 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.405 -9.762 -7.763 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.050 -9.134 -9.350 1.00 0.00 H new ATOM 162 N GLY A 11 5.617 -9.165 -2.424 1.00 0.00 N ATOM 163 CA GLY A 11 6.027 -10.430 -1.838 1.00 0.00 C ATOM 164 C GLY A 11 5.233 -11.617 -2.352 1.00 0.00 C ATOM 165 O GLY A 11 4.251 -12.026 -1.733 1.00 0.00 O ATOM 0 H GLY A 11 6.383 -8.530 -2.647 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.085 -10.592 -2.045 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.920 -10.372 -0.755 1.00 0.00 H new ATOM 169 N ARG A 12 5.657 -12.175 -3.481 1.00 0.00 N ATOM 170 CA ARG A 12 4.973 -13.326 -4.061 1.00 0.00 C ATOM 171 C ARG A 12 4.789 -14.420 -3.015 1.00 0.00 C ATOM 172 O ARG A 12 3.677 -14.662 -2.547 1.00 0.00 O ATOM 173 CB ARG A 12 5.756 -13.866 -5.259 1.00 0.00 C ATOM 174 CG ARG A 12 4.880 -14.219 -6.451 1.00 0.00 C ATOM 175 CD ARG A 12 5.495 -13.744 -7.759 1.00 0.00 C ATOM 176 NE ARG A 12 5.354 -14.738 -8.820 1.00 0.00 N ATOM 177 CZ ARG A 12 5.944 -15.931 -8.803 1.00 0.00 C ATOM 178 NH1 ARG A 12 6.715 -16.283 -7.781 1.00 0.00 N ATOM 179 NH2 ARG A 12 5.764 -16.774 -9.809 1.00 0.00 N ATOM 0 H ARG A 12 6.467 -11.851 -4.011 1.00 0.00 H new ATOM 0 HA ARG A 12 3.990 -13.004 -4.404 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.491 -13.122 -5.567 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.310 -14.753 -4.951 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.733 -15.298 -6.488 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.896 -13.768 -6.326 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.018 -12.814 -8.068 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.552 -13.525 -7.605 1.00 0.00 H new ATOM 0 HE ARG A 12 4.768 -14.504 -9.622 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.858 -15.638 -7.004 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.165 -17.198 -7.773 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.173 -16.509 -10.597 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.216 -17.688 -9.796 1.00 0.00 H new ATOM 193 N CYS A 13 5.892 -15.068 -2.642 1.00 0.00 N ATOM 194 CA CYS A 13 5.862 -16.130 -1.639 1.00 0.00 C ATOM 195 C CYS A 13 4.648 -17.043 -1.839 1.00 0.00 C ATOM 196 O CYS A 13 4.127 -17.151 -2.949 1.00 0.00 O ATOM 197 CB CYS A 13 5.857 -15.514 -0.237 1.00 0.00 C ATOM 198 SG CYS A 13 7.096 -14.196 -0.004 1.00 0.00 S ATOM 0 H CYS A 13 6.819 -14.875 -3.021 1.00 0.00 H new ATOM 0 HA CYS A 13 6.755 -16.744 -1.753 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.866 -15.108 -0.033 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.036 -16.301 0.496 1.00 0.00 H new ATOM 203 N LYS A 14 4.202 -17.698 -0.771 1.00 0.00 N ATOM 204 CA LYS A 14 3.054 -18.593 -0.858 1.00 0.00 C ATOM 205 C LYS A 14 1.751 -17.868 -0.533 1.00 0.00 C ATOM 206 O LYS A 14 0.723 -18.504 -0.294 1.00 0.00 O ATOM 207 CB LYS A 14 3.236 -19.783 0.088 1.00 0.00 C ATOM 208 CG LYS A 14 4.631 -20.387 0.048 1.00 0.00 C ATOM 209 CD LYS A 14 5.254 -20.449 1.435 1.00 0.00 C ATOM 210 CE LYS A 14 4.647 -21.565 2.269 1.00 0.00 C ATOM 211 NZ LYS A 14 5.521 -22.770 2.305 1.00 0.00 N ATOM 0 H LYS A 14 4.615 -17.626 0.159 1.00 0.00 H new ATOM 0 HA LYS A 14 2.994 -18.952 -1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.017 -19.463 1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.508 -20.553 -0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.582 -21.391 -0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.266 -19.795 -0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.329 -20.604 1.345 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.111 -19.495 1.942 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.479 -21.208 3.285 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.673 -21.835 1.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.071 -23.508 2.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.661 -23.126 1.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.442 -22.519 2.718 1.00 0.00 H new ATOM 225 N ALA A 15 1.792 -16.538 -0.527 1.00 0.00 N ATOM 226 CA ALA A 15 0.605 -15.744 -0.231 1.00 0.00 C ATOM 227 C ALA A 15 0.104 -15.011 -1.471 1.00 0.00 C ATOM 228 O ALA A 15 0.775 -14.980 -2.502 1.00 0.00 O ATOM 229 CB ALA A 15 0.896 -14.758 0.887 1.00 0.00 C ATOM 0 H ALA A 15 2.630 -15.991 -0.723 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.182 -16.424 0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.001 -14.172 1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.193 -15.302 1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.703 -14.091 0.583 1.00 0.00 H new ATOM 235 N SER A 16 -1.083 -14.422 -1.361 1.00 0.00 N ATOM 236 CA SER A 16 -1.680 -13.687 -2.470 1.00 0.00 C ATOM 237 C SER A 16 -2.912 -12.913 -2.010 1.00 0.00 C ATOM 238 O SER A 16 -4.043 -13.285 -2.322 1.00 0.00 O ATOM 239 CB SER A 16 -2.057 -14.649 -3.599 1.00 0.00 C ATOM 240 OG SER A 16 -2.861 -14.006 -4.573 1.00 0.00 O ATOM 0 H SER A 16 -1.651 -14.440 -0.514 1.00 0.00 H new ATOM 0 HA SER A 16 -0.944 -12.973 -2.840 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.152 -15.036 -4.068 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.593 -15.504 -3.188 1.00 0.00 H new ATOM 0 HG SER A 16 -3.710 -13.731 -4.167 1.00 0.00 H new ATOM 246 N PHE A 17 -2.685 -11.835 -1.263 1.00 0.00 N ATOM 247 CA PHE A 17 -3.780 -11.010 -0.759 1.00 0.00 C ATOM 248 C PHE A 17 -3.713 -9.602 -1.341 1.00 0.00 C ATOM 249 O PHE A 17 -2.648 -8.988 -1.387 1.00 0.00 O ATOM 250 CB PHE A 17 -3.737 -10.947 0.768 1.00 0.00 C ATOM 251 CG PHE A 17 -4.474 -12.074 1.436 1.00 0.00 C ATOM 252 CD1 PHE A 17 -5.851 -12.181 1.324 1.00 0.00 C ATOM 253 CD2 PHE A 17 -3.788 -13.026 2.173 1.00 0.00 C ATOM 254 CE1 PHE A 17 -6.531 -13.217 1.936 1.00 0.00 C ATOM 255 CE2 PHE A 17 -4.463 -14.064 2.787 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.836 -14.160 2.668 1.00 0.00 C ATOM 0 H PHE A 17 -1.755 -11.513 -0.994 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.719 -11.467 -1.070 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.697 -10.959 1.095 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.163 -9.999 1.097 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.399 -11.447 0.752 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.715 -12.956 2.269 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.604 -13.289 1.842 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.917 -14.800 3.359 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.365 -14.971 3.146 1.00 0.00 H new ATOM 266 N GLU A 18 -4.860 -9.097 -1.788 1.00 0.00 N ATOM 267 CA GLU A 18 -4.930 -7.761 -2.370 1.00 0.00 C ATOM 268 C GLU A 18 -4.896 -6.686 -1.287 1.00 0.00 C ATOM 269 O GLU A 18 -5.681 -6.720 -0.340 1.00 0.00 O ATOM 270 CB GLU A 18 -6.201 -7.616 -3.210 1.00 0.00 C ATOM 271 CG GLU A 18 -7.460 -8.079 -2.496 1.00 0.00 C ATOM 272 CD GLU A 18 -8.019 -9.364 -3.074 1.00 0.00 C ATOM 273 OE1 GLU A 18 -7.833 -9.600 -4.286 1.00 0.00 O ATOM 274 OE2 GLU A 18 -8.644 -10.135 -2.315 1.00 0.00 O ATOM 0 H GLU A 18 -5.751 -9.592 -1.758 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.059 -7.627 -3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.320 -6.571 -3.496 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.085 -8.188 -4.131 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.240 -8.226 -1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.217 -7.297 -2.559 1.00 0.00 H new ATOM 281 N ARG A 19 -3.982 -5.731 -1.438 1.00 0.00 N ATOM 282 CA ARG A 19 -3.845 -4.643 -0.476 1.00 0.00 C ATOM 283 C ARG A 19 -3.653 -3.306 -1.187 1.00 0.00 C ATOM 284 O ARG A 19 -3.523 -3.257 -2.414 1.00 0.00 O ATOM 285 CB ARG A 19 -2.668 -4.909 0.464 1.00 0.00 C ATOM 286 CG ARG A 19 -2.686 -6.296 1.087 1.00 0.00 C ATOM 287 CD ARG A 19 -3.976 -6.553 1.850 1.00 0.00 C ATOM 288 NE ARG A 19 -3.731 -6.830 3.264 1.00 0.00 N ATOM 289 CZ ARG A 19 -3.066 -7.896 3.705 1.00 0.00 C ATOM 290 NH1 ARG A 19 -2.584 -8.788 2.849 1.00 0.00 N ATOM 291 NH2 ARG A 19 -2.885 -8.070 5.007 1.00 0.00 N ATOM 0 H ARG A 19 -3.326 -5.689 -2.218 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.763 -4.593 0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.737 -4.780 -0.088 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.673 -4.163 1.259 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.569 -7.047 0.306 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.837 -6.403 1.762 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.630 -5.686 1.759 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.501 -7.396 1.401 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.090 -6.169 3.953 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.722 -8.659 1.847 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.075 -9.602 3.193 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.255 -7.388 5.669 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.376 -8.886 5.347 1.00 0.00 H new ATOM 305 N TRP A 20 -3.642 -2.224 -0.410 1.00 0.00 N ATOM 306 CA TRP A 20 -3.474 -0.882 -0.962 1.00 0.00 C ATOM 307 C TRP A 20 -2.120 -0.287 -0.580 1.00 0.00 C ATOM 308 O TRP A 20 -1.562 -0.602 0.471 1.00 0.00 O ATOM 309 CB TRP A 20 -4.598 0.035 -0.476 1.00 0.00 C ATOM 310 CG TRP A 20 -5.964 -0.449 -0.857 1.00 0.00 C ATOM 311 CD1 TRP A 20 -6.773 -1.273 -0.131 1.00 0.00 C ATOM 312 CD2 TRP A 20 -6.679 -0.139 -2.057 1.00 0.00 C ATOM 313 NE1 TRP A 20 -7.947 -1.495 -0.805 1.00 0.00 N ATOM 314 CE2 TRP A 20 -7.913 -0.811 -1.991 1.00 0.00 C ATOM 315 CE3 TRP A 20 -6.395 0.641 -3.181 1.00 0.00 C ATOM 316 CZ2 TRP A 20 -8.861 -0.726 -3.005 1.00 0.00 C ATOM 317 CZ3 TRP A 20 -7.337 0.724 -4.189 1.00 0.00 C ATOM 318 CH2 TRP A 20 -8.558 0.044 -4.095 1.00 0.00 C ATOM 0 H TRP A 20 -3.748 -2.251 0.604 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.516 -0.963 -2.048 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.541 0.124 0.609 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -4.446 1.033 -0.886 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -6.525 -1.690 0.834 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.719 -2.075 -0.476 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.456 1.169 -3.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -9.803 -1.249 -2.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -7.128 1.323 -5.063 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -9.274 0.129 -4.899 1.00 0.00 H new ATOM 329 N TYR A 21 -1.604 0.577 -1.449 1.00 0.00 N ATOM 330 CA TYR A 21 -0.315 1.229 -1.226 1.00 0.00 C ATOM 331 C TYR A 21 -0.311 2.616 -1.862 1.00 0.00 C ATOM 332 O TYR A 21 -1.116 2.901 -2.749 1.00 0.00 O ATOM 333 CB TYR A 21 0.817 0.382 -1.820 1.00 0.00 C ATOM 334 CG TYR A 21 0.454 -0.231 -3.153 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.507 -1.226 -3.232 1.00 0.00 C ATOM 336 CD2 TYR A 21 1.050 0.201 -4.332 1.00 0.00 C ATOM 337 CE1 TYR A 21 -0.872 -1.771 -4.442 1.00 0.00 C ATOM 338 CE2 TYR A 21 0.696 -0.347 -5.550 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.271 -1.331 -5.599 1.00 0.00 C ATOM 340 OH TYR A 21 -0.652 -1.862 -6.811 1.00 0.00 O ATOM 0 H TYR A 21 -2.062 0.844 -2.321 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.157 1.329 -0.152 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.704 1.003 -1.941 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.077 -0.411 -1.119 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.978 -1.581 -2.327 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.801 0.976 -4.296 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.628 -2.541 -4.483 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.173 -0.008 -6.458 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.132 -1.444 -7.529 1.00 0.00 H new ATOM 350 N PHE A 22 0.596 3.476 -1.412 1.00 0.00 N ATOM 351 CA PHE A 22 0.687 4.829 -1.953 1.00 0.00 C ATOM 352 C PHE A 22 1.519 4.848 -3.233 1.00 0.00 C ATOM 353 O PHE A 22 2.549 4.180 -3.327 1.00 0.00 O ATOM 354 CB PHE A 22 1.301 5.785 -0.928 1.00 0.00 C ATOM 355 CG PHE A 22 0.791 5.587 0.470 1.00 0.00 C ATOM 356 CD1 PHE A 22 1.363 4.639 1.300 1.00 0.00 C ATOM 357 CD2 PHE A 22 -0.256 6.353 0.956 1.00 0.00 C ATOM 358 CE1 PHE A 22 0.901 4.456 2.589 1.00 0.00 C ATOM 359 CE2 PHE A 22 -0.722 6.176 2.245 1.00 0.00 C ATOM 360 CZ PHE A 22 -0.143 5.226 3.063 1.00 0.00 C ATOM 0 H PHE A 22 1.274 3.264 -0.680 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.325 5.161 -2.184 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.384 5.658 -0.931 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.099 6.811 -1.236 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.181 4.035 0.936 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.713 7.097 0.320 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.356 3.711 3.226 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.538 6.780 2.612 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.506 5.086 4.071 1.00 0.00 H new ATOM 370 N ASN A 23 1.066 5.623 -4.213 1.00 0.00 N ATOM 371 CA ASN A 23 1.768 5.737 -5.487 1.00 0.00 C ATOM 372 C ASN A 23 2.036 7.201 -5.823 1.00 0.00 C ATOM 373 O ASN A 23 1.372 7.783 -6.681 1.00 0.00 O ATOM 374 CB ASN A 23 0.952 5.084 -6.605 1.00 0.00 C ATOM 375 CG ASN A 23 1.794 4.761 -7.823 1.00 0.00 C ATOM 376 OD1 ASN A 23 2.307 3.649 -7.961 1.00 0.00 O ATOM 377 ND2 ASN A 23 1.942 5.733 -8.714 1.00 0.00 N ATOM 0 H ASN A 23 0.215 6.182 -4.150 1.00 0.00 H new ATOM 0 HA ASN A 23 2.723 5.219 -5.399 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.495 4.168 -6.230 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.140 5.750 -6.895 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.499 5.575 -9.554 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.499 6.639 -8.559 1.00 0.00 H new ATOM 384 N GLY A 24 3.008 7.791 -5.136 1.00 0.00 N ATOM 385 CA GLY A 24 3.343 9.183 -5.369 1.00 0.00 C ATOM 386 C GLY A 24 2.373 10.126 -4.686 1.00 0.00 C ATOM 387 O GLY A 24 2.762 10.915 -3.825 1.00 0.00 O ATOM 0 H GLY A 24 3.570 7.329 -4.421 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.353 9.378 -5.007 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.345 9.380 -6.441 1.00 0.00 H new ATOM 391 N ARG A 25 1.104 10.036 -5.067 1.00 0.00 N ATOM 392 CA ARG A 25 0.067 10.880 -4.486 1.00 0.00 C ATOM 393 C ARG A 25 -1.242 10.108 -4.327 1.00 0.00 C ATOM 394 O ARG A 25 -1.980 10.311 -3.364 1.00 0.00 O ATOM 395 CB ARG A 25 -0.154 12.127 -5.349 1.00 0.00 C ATOM 396 CG ARG A 25 -0.904 11.856 -6.644 1.00 0.00 C ATOM 397 CD ARG A 25 -2.406 12.028 -6.464 1.00 0.00 C ATOM 398 NE ARG A 25 -2.942 13.085 -7.320 1.00 0.00 N ATOM 399 CZ ARG A 25 -3.222 12.923 -8.610 1.00 0.00 C ATOM 400 NH1 ARG A 25 -3.015 11.752 -9.201 1.00 0.00 N ATOM 401 NH2 ARG A 25 -3.710 13.936 -9.315 1.00 0.00 N ATOM 0 H ARG A 25 0.768 9.386 -5.777 1.00 0.00 H new ATOM 0 HA ARG A 25 0.401 11.192 -3.497 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.707 12.865 -4.768 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.814 12.568 -5.587 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.549 12.534 -7.420 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.691 10.843 -6.984 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.908 11.088 -6.691 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.622 12.261 -5.421 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.111 14.001 -6.903 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.639 10.970 -8.665 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.232 11.635 -10.191 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.870 14.838 -8.867 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.925 13.812 -10.304 1.00 0.00 H new ATOM 415 N THR A 26 -1.524 9.221 -5.279 1.00 0.00 N ATOM 416 CA THR A 26 -2.743 8.420 -5.242 1.00 0.00 C ATOM 417 C THR A 26 -2.457 7.018 -4.715 1.00 0.00 C ATOM 418 O THR A 26 -1.304 6.646 -4.497 1.00 0.00 O ATOM 419 CB THR A 26 -3.372 8.337 -6.637 1.00 0.00 C ATOM 420 OG1 THR A 26 -2.613 9.075 -7.578 1.00 0.00 O ATOM 421 CG2 THR A 26 -4.791 8.859 -6.684 1.00 0.00 C ATOM 0 H THR A 26 -0.925 9.040 -6.084 1.00 0.00 H new ATOM 0 HA THR A 26 -3.445 8.907 -4.565 1.00 0.00 H new ATOM 0 HB THR A 26 -3.382 7.276 -6.885 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.032 9.007 -8.462 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.177 8.772 -7.699 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.416 8.276 -6.007 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.804 9.906 -6.380 1.00 0.00 H new ATOM 429 N CYS A 27 -3.518 6.243 -4.513 1.00 0.00 N ATOM 430 CA CYS A 27 -3.390 4.881 -4.012 1.00 0.00 C ATOM 431 C CYS A 27 -3.247 3.887 -5.160 1.00 0.00 C ATOM 432 O CYS A 27 -3.333 4.255 -6.331 1.00 0.00 O ATOM 433 CB CYS A 27 -4.601 4.515 -3.153 1.00 0.00 C ATOM 434 SG CYS A 27 -4.689 5.419 -1.573 1.00 0.00 S ATOM 0 H CYS A 27 -4.479 6.537 -4.690 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.490 4.831 -3.399 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.510 4.710 -3.722 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.577 3.445 -2.947 1.00 0.00 H new ATOM 439 N ALA A 28 -3.022 2.627 -4.809 1.00 0.00 N ATOM 440 CA ALA A 28 -2.857 1.569 -5.800 1.00 0.00 C ATOM 441 C ALA A 28 -3.309 0.222 -5.238 1.00 0.00 C ATOM 442 O ALA A 28 -3.692 0.129 -4.072 1.00 0.00 O ATOM 443 CB ALA A 28 -1.417 1.513 -6.277 1.00 0.00 C ATOM 0 H ALA A 28 -2.949 2.311 -3.842 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.489 1.795 -6.659 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.309 0.719 -7.016 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.146 2.468 -6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.761 1.312 -5.430 1.00 0.00 H new ATOM 449 N LYS A 29 -3.282 -0.819 -6.069 1.00 0.00 N ATOM 450 CA LYS A 29 -3.715 -2.145 -5.635 1.00 0.00 C ATOM 451 C LYS A 29 -2.941 -3.254 -6.343 1.00 0.00 C ATOM 452 O LYS A 29 -2.677 -3.178 -7.542 1.00 0.00 O ATOM 453 CB LYS A 29 -5.216 -2.315 -5.889 1.00 0.00 C ATOM 454 CG LYS A 29 -6.010 -2.639 -4.634 1.00 0.00 C ATOM 455 CD LYS A 29 -7.342 -3.295 -4.968 1.00 0.00 C ATOM 456 CE LYS A 29 -7.590 -4.526 -4.111 1.00 0.00 C ATOM 457 NZ LYS A 29 -8.997 -4.593 -3.628 1.00 0.00 N ATOM 0 H LYS A 29 -2.968 -0.771 -7.038 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.512 -2.226 -4.567 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.608 -1.399 -6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.365 -3.110 -6.619 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.427 -3.302 -3.995 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.186 -1.724 -4.068 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.149 -2.578 -4.818 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.356 -3.575 -6.021 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.361 -5.422 -4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.913 -4.516 -3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.222 -5.569 -3.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.113 -3.964 -2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.640 -4.293 -4.388 1.00 0.00 H new ATOM 471 N PHE A 30 -2.588 -4.289 -5.583 1.00 0.00 N ATOM 472 CA PHE A 30 -1.850 -5.426 -6.123 1.00 0.00 C ATOM 473 C PHE A 30 -1.951 -6.628 -5.188 1.00 0.00 C ATOM 474 O PHE A 30 -2.539 -6.535 -4.111 1.00 0.00 O ATOM 475 CB PHE A 30 -0.380 -5.069 -6.380 1.00 0.00 C ATOM 476 CG PHE A 30 0.345 -4.442 -5.213 1.00 0.00 C ATOM 477 CD1 PHE A 30 -0.122 -4.570 -3.913 1.00 0.00 C ATOM 478 CD2 PHE A 30 1.512 -3.725 -5.429 1.00 0.00 C ATOM 479 CE1 PHE A 30 0.558 -3.996 -2.857 1.00 0.00 C ATOM 480 CE2 PHE A 30 2.196 -3.150 -4.376 1.00 0.00 C ATOM 481 CZ PHE A 30 1.719 -3.285 -3.088 1.00 0.00 C ATOM 0 H PHE A 30 -2.803 -4.362 -4.589 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.303 -5.689 -7.079 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.151 -5.975 -6.672 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.332 -4.384 -7.227 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.029 -5.126 -3.724 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.891 -3.615 -6.434 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.182 -4.103 -1.850 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.104 -2.595 -4.560 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.252 -2.836 -2.263 1.00 0.00 H new ATOM 491 N ILE A 31 -1.381 -7.757 -5.597 1.00 0.00 N ATOM 492 CA ILE A 31 -1.424 -8.959 -4.779 1.00 0.00 C ATOM 493 C ILE A 31 -0.226 -9.005 -3.837 1.00 0.00 C ATOM 494 O ILE A 31 0.856 -9.456 -4.210 1.00 0.00 O ATOM 495 CB ILE A 31 -1.437 -10.226 -5.652 1.00 0.00 C ATOM 496 CG1 ILE A 31 -2.584 -10.162 -6.662 1.00 0.00 C ATOM 497 CG2 ILE A 31 -1.554 -11.474 -4.789 1.00 0.00 C ATOM 498 CD1 ILE A 31 -3.954 -10.136 -6.019 1.00 0.00 C ATOM 0 H ILE A 31 -0.888 -7.863 -6.484 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.344 -8.928 -4.195 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.495 -10.278 -6.198 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.464 -9.272 -7.280 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.520 -11.023 -7.328 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.561 -12.358 -5.427 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.705 -11.526 -4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.479 -11.434 -4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.719 -10.091 -6.794 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.094 -11.038 -5.424 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.037 -9.260 -5.375 1.00 0.00 H new ATOM 510 N TYR A 32 -0.429 -8.523 -2.615 1.00 0.00 N ATOM 511 CA TYR A 32 0.628 -8.490 -1.613 1.00 0.00 C ATOM 512 C TYR A 32 0.610 -9.741 -0.742 1.00 0.00 C ATOM 513 O TYR A 32 -0.146 -9.823 0.227 1.00 0.00 O ATOM 514 CB TYR A 32 0.478 -7.244 -0.736 1.00 0.00 C ATOM 515 CG TYR A 32 1.502 -7.141 0.373 1.00 0.00 C ATOM 516 CD1 TYR A 32 2.841 -7.427 0.139 1.00 0.00 C ATOM 517 CD2 TYR A 32 1.129 -6.756 1.655 1.00 0.00 C ATOM 518 CE1 TYR A 32 3.779 -7.332 1.149 1.00 0.00 C ATOM 519 CE2 TYR A 32 2.061 -6.657 2.670 1.00 0.00 C ATOM 520 CZ TYR A 32 3.385 -6.946 2.412 1.00 0.00 C ATOM 521 OH TYR A 32 4.316 -6.848 3.421 1.00 0.00 O ATOM 0 H TYR A 32 -1.322 -8.148 -2.295 1.00 0.00 H new ATOM 0 HA TYR A 32 1.584 -8.456 -2.135 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.551 -6.358 -1.367 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.519 -7.240 -0.296 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.154 -7.729 -0.850 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.093 -6.530 1.861 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.816 -7.559 0.950 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.755 -6.355 3.661 1.00 0.00 H new ATOM 0 HH TYR A 32 3.874 -6.563 4.248 1.00 0.00 H new ATOM 531 N GLY A 33 1.456 -10.708 -1.081 1.00 0.00 N ATOM 532 CA GLY A 33 1.528 -11.930 -0.303 1.00 0.00 C ATOM 533 C GLY A 33 1.908 -11.658 1.141 1.00 0.00 C ATOM 534 O GLY A 33 1.651 -12.472 2.027 1.00 0.00 O ATOM 0 H GLY A 33 2.091 -10.667 -1.878 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.565 -12.439 -0.336 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.259 -12.603 -0.751 1.00 0.00 H new ATOM 538 N GLY A 34 2.521 -10.500 1.379 1.00 0.00 N ATOM 539 CA GLY A 34 2.926 -10.136 2.723 1.00 0.00 C ATOM 540 C GLY A 34 4.433 -10.067 2.884 1.00 0.00 C ATOM 541 O GLY A 34 4.935 -9.914 3.998 1.00 0.00 O ATOM 0 H GLY A 34 2.744 -9.808 0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.493 -9.169 2.979 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.523 -10.862 3.429 1.00 0.00 H new ATOM 545 N CYS A 35 5.161 -10.184 1.775 1.00 0.00 N ATOM 546 CA CYS A 35 6.621 -10.137 1.815 1.00 0.00 C ATOM 547 C CYS A 35 7.145 -8.857 1.168 1.00 0.00 C ATOM 548 O CYS A 35 7.128 -8.710 -0.056 1.00 0.00 O ATOM 549 CB CYS A 35 7.220 -11.372 1.128 1.00 0.00 C ATOM 550 SG CYS A 35 6.171 -12.864 1.217 1.00 0.00 S ATOM 0 H CYS A 35 4.767 -10.311 0.843 1.00 0.00 H new ATOM 0 HA CYS A 35 6.930 -10.139 2.860 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.407 -11.136 0.081 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.186 -11.593 1.582 1.00 0.00 H new ATOM 555 N GLY A 36 7.612 -7.931 2.001 1.00 0.00 N ATOM 556 CA GLY A 36 8.136 -6.675 1.495 1.00 0.00 C ATOM 557 C GLY A 36 7.215 -5.504 1.781 1.00 0.00 C ATOM 558 O GLY A 36 6.372 -5.153 0.955 1.00 0.00 O ATOM 0 H GLY A 36 7.637 -8.028 3.016 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.111 -6.484 1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.291 -6.757 0.419 1.00 0.00 H new ATOM 562 N GLY A 37 7.377 -4.897 2.952 1.00 0.00 N ATOM 563 CA GLY A 37 6.546 -3.766 3.322 1.00 0.00 C ATOM 564 C GLY A 37 7.119 -2.981 4.487 1.00 0.00 C ATOM 565 O GLY A 37 7.673 -3.560 5.421 1.00 0.00 O ATOM 0 H GLY A 37 8.069 -5.168 3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.434 -3.105 2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.549 -4.122 3.583 1.00 0.00 H new ATOM 569 N ASN A 38 6.984 -1.660 4.432 1.00 0.00 N ATOM 570 CA ASN A 38 7.492 -0.794 5.491 1.00 0.00 C ATOM 571 C ASN A 38 6.435 0.225 5.919 1.00 0.00 C ATOM 572 O ASN A 38 5.708 0.006 6.887 1.00 0.00 O ATOM 573 CB ASN A 38 8.772 -0.078 5.038 1.00 0.00 C ATOM 574 CG ASN A 38 8.787 0.212 3.547 1.00 0.00 C ATOM 575 OD1 ASN A 38 7.736 0.335 2.916 1.00 0.00 O ATOM 576 ND2 ASN A 38 9.981 0.326 2.978 1.00 0.00 N ATOM 0 H ASN A 38 6.527 -1.165 3.666 1.00 0.00 H new ATOM 0 HA ASN A 38 7.730 -1.420 6.351 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.873 0.858 5.587 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.636 -0.692 5.293 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.054 0.523 1.980 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.826 0.217 3.539 1.00 0.00 H new ATOM 583 N GLY A 39 6.353 1.338 5.193 1.00 0.00 N ATOM 584 CA GLY A 39 5.380 2.366 5.517 1.00 0.00 C ATOM 585 C GLY A 39 4.473 2.708 4.347 1.00 0.00 C ATOM 586 O GLY A 39 3.512 3.461 4.501 1.00 0.00 O ATOM 0 H GLY A 39 6.943 1.545 4.387 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.771 2.032 6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.903 3.266 5.840 1.00 0.00 H new ATOM 590 N ASN A 40 4.776 2.153 3.176 1.00 0.00 N ATOM 591 CA ASN A 40 3.977 2.405 1.981 1.00 0.00 C ATOM 592 C ASN A 40 2.850 1.381 1.855 1.00 0.00 C ATOM 593 O ASN A 40 1.850 1.624 1.177 1.00 0.00 O ATOM 594 CB ASN A 40 4.865 2.363 0.736 1.00 0.00 C ATOM 595 CG ASN A 40 4.089 2.608 -0.544 1.00 0.00 C ATOM 596 OD1 ASN A 40 3.704 1.669 -1.240 1.00 0.00 O ATOM 597 ND2 ASN A 40 3.860 3.877 -0.864 1.00 0.00 N ATOM 0 H ASN A 40 5.568 1.527 3.030 1.00 0.00 H new ATOM 0 HA ASN A 40 3.532 3.396 2.069 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.650 3.113 0.829 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.357 1.392 0.678 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.347 4.104 -1.716 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.197 4.625 -0.258 1.00 0.00 H new ATOM 604 N LYS A 41 3.027 0.235 2.510 1.00 0.00 N ATOM 605 CA LYS A 41 2.039 -0.836 2.478 1.00 0.00 C ATOM 606 C LYS A 41 0.846 -0.513 3.376 1.00 0.00 C ATOM 607 O LYS A 41 0.968 0.250 4.335 1.00 0.00 O ATOM 608 CB LYS A 41 2.684 -2.148 2.925 1.00 0.00 C ATOM 609 CG LYS A 41 1.837 -3.375 2.637 1.00 0.00 C ATOM 610 CD LYS A 41 1.782 -3.675 1.147 1.00 0.00 C ATOM 611 CE LYS A 41 0.352 -3.696 0.633 1.00 0.00 C ATOM 612 NZ LYS A 41 0.045 -2.499 -0.198 1.00 0.00 N ATOM 0 H LYS A 41 3.852 0.026 3.072 1.00 0.00 H new ATOM 0 HA LYS A 41 1.677 -0.936 1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.647 -2.257 2.426 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.883 -2.098 3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.247 -4.234 3.168 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.827 -3.219 3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.354 -2.924 0.603 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.254 -4.638 0.951 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.191 -4.599 0.044 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.337 -3.739 1.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.832 -2.663 -0.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.075 -1.670 0.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.828 -2.327 -0.861 1.00 0.00 H new ATOM 626 N PHE A 42 -0.303 -1.106 3.063 1.00 0.00 N ATOM 627 CA PHE A 42 -1.516 -0.890 3.845 1.00 0.00 C ATOM 628 C PHE A 42 -2.615 -1.867 3.422 1.00 0.00 C ATOM 629 O PHE A 42 -2.798 -2.128 2.233 1.00 0.00 O ATOM 630 CB PHE A 42 -2.002 0.551 3.689 1.00 0.00 C ATOM 631 CG PHE A 42 -1.616 1.436 4.841 1.00 0.00 C ATOM 632 CD1 PHE A 42 -2.204 1.272 6.085 1.00 0.00 C ATOM 633 CD2 PHE A 42 -0.664 2.427 4.679 1.00 0.00 C ATOM 634 CE1 PHE A 42 -1.848 2.082 7.146 1.00 0.00 C ATOM 635 CE2 PHE A 42 -0.303 3.241 5.736 1.00 0.00 C ATOM 636 CZ PHE A 42 -0.896 3.068 6.972 1.00 0.00 C ATOM 0 H PHE A 42 -0.419 -1.740 2.273 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.281 -1.069 4.894 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.594 0.967 2.768 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.087 0.552 3.586 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.949 0.503 6.227 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.197 2.566 3.715 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.314 1.945 8.111 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.441 4.011 5.596 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.616 3.702 7.800 1.00 0.00 H new ATOM 646 N PRO A 43 -3.358 -2.430 4.393 1.00 0.00 N ATOM 647 CA PRO A 43 -4.434 -3.391 4.110 1.00 0.00 C ATOM 648 C PRO A 43 -5.604 -2.769 3.351 1.00 0.00 C ATOM 649 O PRO A 43 -6.006 -3.270 2.300 1.00 0.00 O ATOM 650 CB PRO A 43 -4.895 -3.851 5.502 1.00 0.00 C ATOM 651 CG PRO A 43 -3.817 -3.424 6.439 1.00 0.00 C ATOM 652 CD PRO A 43 -3.209 -2.193 5.837 1.00 0.00 C ATOM 0 HA PRO A 43 -4.079 -4.200 3.471 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.850 -3.398 5.769 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.036 -4.931 5.532 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.221 -3.215 7.429 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.071 -4.209 6.559 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.728 -1.289 6.154 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.163 -2.077 6.122 1.00 0.00 H new ATOM 660 N THR A 44 -6.159 -1.689 3.894 1.00 0.00 N ATOM 661 CA THR A 44 -7.295 -1.019 3.269 1.00 0.00 C ATOM 662 C THR A 44 -6.905 0.344 2.706 1.00 0.00 C ATOM 663 O THR A 44 -5.940 0.963 3.153 1.00 0.00 O ATOM 664 CB THR A 44 -8.430 -0.854 4.281 1.00 0.00 C ATOM 665 OG1 THR A 44 -7.943 -0.315 5.497 1.00 0.00 O ATOM 666 CG2 THR A 44 -9.138 -2.153 4.605 1.00 0.00 C ATOM 0 H THR A 44 -5.841 -1.260 4.763 1.00 0.00 H new ATOM 0 HA THR A 44 -7.631 -1.642 2.440 1.00 0.00 H new ATOM 0 HB THR A 44 -9.143 -0.179 3.807 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.684 -0.215 6.131 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.931 -1.964 5.328 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.569 -2.570 3.694 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.424 -2.861 5.026 1.00 0.00 H new ATOM 674 N GLN A 45 -7.672 0.806 1.722 1.00 0.00 N ATOM 675 CA GLN A 45 -7.422 2.098 1.094 1.00 0.00 C ATOM 676 C GLN A 45 -7.755 3.238 2.051 1.00 0.00 C ATOM 677 O GLN A 45 -7.214 4.338 1.931 1.00 0.00 O ATOM 678 CB GLN A 45 -8.250 2.235 -0.185 1.00 0.00 C ATOM 679 CG GLN A 45 -7.770 3.348 -1.103 1.00 0.00 C ATOM 680 CD GLN A 45 -8.914 4.113 -1.739 1.00 0.00 C ATOM 681 OE1 GLN A 45 -9.584 4.910 -1.083 1.00 0.00 O ATOM 682 NE2 GLN A 45 -9.144 3.871 -3.024 1.00 0.00 N ATOM 0 H GLN A 45 -8.474 0.302 1.342 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.363 2.154 0.841 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.224 1.290 -0.728 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.290 2.420 0.083 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.147 4.039 -0.535 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.142 2.923 -1.886 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.563 3.202 -3.529 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.902 4.354 -3.506 1.00 0.00 H new ATOM 691 N GLU A 46 -8.649 2.970 3.001 1.00 0.00 N ATOM 692 CA GLU A 46 -9.053 3.975 3.979 1.00 0.00 C ATOM 693 C GLU A 46 -7.834 4.583 4.665 1.00 0.00 C ATOM 694 O GLU A 46 -7.810 5.776 4.967 1.00 0.00 O ATOM 695 CB GLU A 46 -9.984 3.357 5.022 1.00 0.00 C ATOM 696 CG GLU A 46 -11.044 4.318 5.537 1.00 0.00 C ATOM 697 CD GLU A 46 -12.037 3.647 6.467 1.00 0.00 C ATOM 698 OE1 GLU A 46 -12.789 2.768 5.997 1.00 0.00 O ATOM 699 OE2 GLU A 46 -12.062 4.002 7.664 1.00 0.00 O ATOM 0 H GLU A 46 -9.107 2.065 3.113 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.586 4.767 3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.475 2.486 4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.389 3.001 5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.559 5.141 6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.579 4.751 4.691 1.00 0.00 H new ATOM 706 N ALA A 47 -6.822 3.755 4.899 1.00 0.00 N ATOM 707 CA ALA A 47 -5.596 4.211 5.541 1.00 0.00 C ATOM 708 C ALA A 47 -4.672 4.870 4.525 1.00 0.00 C ATOM 709 O ALA A 47 -3.960 5.823 4.841 1.00 0.00 O ATOM 710 CB ALA A 47 -4.893 3.048 6.225 1.00 0.00 C ATOM 0 H ALA A 47 -6.827 2.765 4.654 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.857 4.952 6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.979 3.404 6.700 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.551 2.619 6.980 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.645 2.287 5.485 1.00 0.00 H new ATOM 716 N CYS A 48 -4.694 4.355 3.300 1.00 0.00 N ATOM 717 CA CYS A 48 -3.862 4.891 2.228 1.00 0.00 C ATOM 718 C CYS A 48 -4.289 6.313 1.872 1.00 0.00 C ATOM 719 O CYS A 48 -3.457 7.160 1.550 1.00 0.00 O ATOM 720 CB CYS A 48 -3.949 3.987 0.995 1.00 0.00 C ATOM 721 SG CYS A 48 -3.144 4.661 -0.496 1.00 0.00 S ATOM 0 H CYS A 48 -5.279 3.566 3.025 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.829 4.921 2.574 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.496 3.025 1.233 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.999 3.799 0.772 1.00 0.00 H new ATOM 726 N MET A 49 -5.592 6.566 1.930 1.00 0.00 N ATOM 727 CA MET A 49 -6.129 7.884 1.610 1.00 0.00 C ATOM 728 C MET A 49 -5.997 8.833 2.798 1.00 0.00 C ATOM 729 O MET A 49 -5.804 10.035 2.625 1.00 0.00 O ATOM 730 CB MET A 49 -7.597 7.769 1.191 1.00 0.00 C ATOM 731 CG MET A 49 -7.851 8.174 -0.253 1.00 0.00 C ATOM 732 SD MET A 49 -8.944 9.602 -0.396 1.00 0.00 S ATOM 733 CE MET A 49 -10.303 8.897 -1.325 1.00 0.00 C ATOM 0 H MET A 49 -6.295 5.877 2.195 1.00 0.00 H new ATOM 0 HA MET A 49 -5.552 8.293 0.781 1.00 0.00 H new ATOM 0 HB2 MET A 49 -7.928 6.740 1.335 1.00 0.00 H new ATOM 0 HB3 MET A 49 -8.204 8.394 1.847 1.00 0.00 H new ATOM 0 HG2 MET A 49 -6.900 8.400 -0.735 1.00 0.00 H new ATOM 0 HG3 MET A 49 -8.288 7.332 -0.790 1.00 0.00 H new ATOM 0 HE1 MET A 49 -11.063 9.660 -1.494 1.00 0.00 H new ATOM 0 HE2 MET A 49 -9.937 8.531 -2.284 1.00 0.00 H new ATOM 0 HE3 MET A 49 -10.738 8.070 -0.763 1.00 0.00 H new ATOM 743 N LYS A 50 -6.107 8.288 4.003 1.00 0.00 N ATOM 744 CA LYS A 50 -6.005 9.091 5.217 1.00 0.00 C ATOM 745 C LYS A 50 -4.552 9.449 5.531 1.00 0.00 C ATOM 746 O LYS A 50 -4.287 10.330 6.348 1.00 0.00 O ATOM 747 CB LYS A 50 -6.621 8.340 6.399 1.00 0.00 C ATOM 748 CG LYS A 50 -6.724 9.173 7.665 1.00 0.00 C ATOM 749 CD LYS A 50 -6.826 8.297 8.904 1.00 0.00 C ATOM 750 CE LYS A 50 -5.982 8.845 10.045 1.00 0.00 C ATOM 751 NZ LYS A 50 -5.332 7.758 10.827 1.00 0.00 N ATOM 0 H LYS A 50 -6.267 7.294 4.167 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.554 10.018 5.049 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.617 7.995 6.120 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.023 7.453 6.606 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.851 9.821 7.747 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.598 9.822 7.604 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.867 8.231 9.219 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.501 7.285 8.663 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.218 9.510 9.644 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.610 9.442 10.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.766 8.173 11.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.062 7.137 11.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.713 7.203 10.202 1.00 0.00 H new ATOM 765 N ARG A 51 -3.613 8.757 4.892 1.00 0.00 N ATOM 766 CA ARG A 51 -2.197 9.007 5.129 1.00 0.00 C ATOM 767 C ARG A 51 -1.608 9.968 4.097 1.00 0.00 C ATOM 768 O ARG A 51 -0.676 10.714 4.400 1.00 0.00 O ATOM 769 CB ARG A 51 -1.419 7.689 5.118 1.00 0.00 C ATOM 770 CG ARG A 51 -1.041 7.194 6.504 1.00 0.00 C ATOM 771 CD ARG A 51 0.352 7.656 6.898 1.00 0.00 C ATOM 772 NE ARG A 51 0.353 9.028 7.399 1.00 0.00 N ATOM 773 CZ ARG A 51 1.378 9.581 8.043 1.00 0.00 C ATOM 774 NH1 ARG A 51 2.485 8.884 8.268 1.00 0.00 N ATOM 775 NH2 ARG A 51 1.297 10.837 8.465 1.00 0.00 N ATOM 0 H ARG A 51 -3.806 8.023 4.210 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.107 9.475 6.109 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.019 6.927 4.620 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.512 7.817 4.527 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.766 7.558 7.232 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.085 6.105 6.527 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.752 6.991 7.663 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.015 7.585 6.036 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.481 9.596 7.246 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.554 7.918 7.947 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.267 9.314 8.762 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.449 11.378 8.296 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.083 11.261 8.959 1.00 0.00 H new ATOM 789 N CYS A 52 -2.137 9.939 2.878 1.00 0.00 N ATOM 790 CA CYS A 52 -1.631 10.808 1.816 1.00 0.00 C ATOM 791 C CYS A 52 -2.730 11.692 1.225 1.00 0.00 C ATOM 792 O CYS A 52 -2.459 12.803 0.768 1.00 0.00 O ATOM 793 CB CYS A 52 -0.986 9.967 0.711 1.00 0.00 C ATOM 794 SG CYS A 52 0.758 10.382 0.384 1.00 0.00 S ATOM 0 H CYS A 52 -2.908 9.331 2.601 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.883 11.465 2.260 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.053 8.914 0.985 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.557 10.094 -0.208 1.00 0.00 H new ATOM 799 N ALA A 53 -3.965 11.200 1.226 1.00 0.00 N ATOM 800 CA ALA A 53 -5.083 11.960 0.678 1.00 0.00 C ATOM 801 C ALA A 53 -5.687 12.896 1.721 1.00 0.00 C ATOM 802 O ALA A 53 -6.301 13.906 1.377 1.00 0.00 O ATOM 803 CB ALA A 53 -6.146 11.017 0.133 1.00 0.00 C ATOM 0 H ALA A 53 -4.216 10.284 1.598 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.701 12.574 -0.138 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.974 11.598 -0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.715 10.400 -0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.511 10.377 0.936 1.00 0.00 H new ATOM 809 N LYS A 54 -5.512 12.556 2.994 1.00 0.00 N ATOM 810 CA LYS A 54 -6.045 13.371 4.077 1.00 0.00 C ATOM 811 C LYS A 54 -4.941 14.189 4.741 1.00 0.00 C ATOM 812 O LYS A 54 -5.185 15.286 5.243 1.00 0.00 O ATOM 813 CB LYS A 54 -6.739 12.488 5.116 1.00 0.00 C ATOM 814 CG LYS A 54 -7.636 13.260 6.070 1.00 0.00 C ATOM 815 CD LYS A 54 -8.806 12.412 6.543 1.00 0.00 C ATOM 816 CE LYS A 54 -10.099 13.211 6.567 1.00 0.00 C ATOM 817 NZ LYS A 54 -11.265 12.394 6.130 1.00 0.00 N ATOM 0 H LYS A 54 -5.007 11.724 3.299 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.775 14.060 3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.334 11.734 4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.982 11.956 5.693 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.054 13.592 6.930 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.011 14.155 5.574 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.922 11.550 5.885 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.597 12.026 7.541 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.276 13.585 7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.001 14.080 5.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.127 12.975 6.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.108 12.057 5.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.375 11.578 6.766 1.00 0.00 H new ATOM 831 N ALA A 55 -3.728 13.647 4.741 1.00 0.00 N ATOM 832 CA ALA A 55 -2.588 14.329 5.343 1.00 0.00 C ATOM 833 C ALA A 55 -1.979 15.339 4.377 1.00 0.00 C ATOM 834 O ALA A 55 -2.611 15.616 3.335 1.00 0.00 O ATOM 835 CB ALA A 55 -1.540 13.316 5.781 1.00 0.00 C ATOM 836 OXT ALA A 55 -0.876 15.846 4.670 1.00 0.00 O ATOM 0 H ALA A 55 -3.509 12.739 4.332 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.942 14.873 6.219 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.694 13.838 6.229 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.975 12.636 6.513 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.199 12.748 4.915 1.00 0.00 H new TER 842 ALA A 55