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 Single : A 1 ILE N :NH3+ 179:sc= -0.375 (180deg=-0.39) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -90:sc= -1.19 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= -2.42 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.41 K(o=-1.4,f=-12!) USER MOD Single : A 40 ASN : amide:sc= -0.0331 K(o=-0.033,f=-3.9!) USER MOD Single : A 41 LYS NZ :NH3+ -138:sc= -0.571 (180deg=-2.39!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0419 X(o=-0.042,f=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 156:sc= -0.0299 (180deg=-0.261) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 5.026 12.349 4.299 1.00 0.00 N ATOM 2 CA ILE A 1 5.106 12.587 2.835 1.00 0.00 C ATOM 3 C ILE A 1 6.210 11.744 2.200 1.00 0.00 C ATOM 4 O ILE A 1 6.142 11.405 1.018 1.00 0.00 O ATOM 5 CB ILE A 1 5.365 14.076 2.524 1.00 0.00 C ATOM 6 CG1 ILE A 1 5.326 14.319 1.013 1.00 0.00 C ATOM 7 CG2 ILE A 1 6.700 14.522 3.107 1.00 0.00 C ATOM 8 CD1 ILE A 1 3.959 14.100 0.402 1.00 0.00 C ATOM 0 H1 ILE A 1 4.279 12.947 4.708 1.00 0.00 H new ATOM 0 H2 ILE A 1 4.805 11.348 4.476 1.00 0.00 H new ATOM 0 H3 ILE A 1 5.938 12.585 4.739 1.00 0.00 H new ATOM 0 HA ILE A 1 4.144 12.297 2.412 1.00 0.00 H new ATOM 0 HB ILE A 1 4.577 14.669 2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 1 5.647 15.340 0.809 1.00 0.00 H new ATOM 0 HG13 ILE A 1 6.043 13.656 0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 1 6.864 15.575 2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 1 6.689 14.384 4.188 1.00 0.00 H new ATOM 0 HG23 ILE A 1 7.503 13.926 2.674 1.00 0.00 H new ATOM 0 HD11 ILE A 1 4.005 14.290 -0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 1 3.644 13.071 0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 1 3.242 14.781 0.861 1.00 0.00 H new ATOM 22 N ASP A 2 7.225 11.410 2.990 1.00 0.00 N ATOM 23 CA ASP A 2 8.343 10.608 2.504 1.00 0.00 C ATOM 24 C ASP A 2 7.957 9.134 2.376 1.00 0.00 C ATOM 25 O ASP A 2 8.689 8.344 1.781 1.00 0.00 O ATOM 26 CB ASP A 2 9.543 10.749 3.440 1.00 0.00 C ATOM 27 CG ASP A 2 10.253 12.078 3.273 1.00 0.00 C ATOM 28 OD1 ASP A 2 11.091 12.192 2.355 1.00 0.00 O ATOM 29 OD2 ASP A 2 9.970 13.006 4.061 1.00 0.00 O ATOM 0 H ASP A 2 7.297 11.682 3.970 1.00 0.00 H new ATOM 0 HA ASP A 2 8.611 10.978 1.514 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.209 10.646 4.472 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.246 9.938 3.250 1.00 0.00 H new ATOM 34 N THR A 3 6.810 8.768 2.941 1.00 0.00 N ATOM 35 CA THR A 3 6.339 7.390 2.887 1.00 0.00 C ATOM 36 C THR A 3 5.474 7.158 1.651 1.00 0.00 C ATOM 37 O THR A 3 5.445 6.060 1.097 1.00 0.00 O ATOM 38 CB THR A 3 5.545 7.055 4.151 1.00 0.00 C ATOM 39 OG1 THR A 3 6.232 7.504 5.307 1.00 0.00 O ATOM 40 CG2 THR A 3 5.281 5.575 4.321 1.00 0.00 C ATOM 0 H THR A 3 6.191 9.407 3.441 1.00 0.00 H new ATOM 0 HA THR A 3 7.208 6.735 2.826 1.00 0.00 H new ATOM 0 HB THR A 3 4.589 7.565 4.034 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.708 7.283 6.105 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.714 5.409 5.237 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.709 5.207 3.469 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.229 5.041 4.380 1.00 0.00 H new ATOM 48 N CYS A 4 4.768 8.201 1.226 1.00 0.00 N ATOM 49 CA CYS A 4 3.899 8.112 0.058 1.00 0.00 C ATOM 50 C CYS A 4 4.699 8.147 -1.246 1.00 0.00 C ATOM 51 O CYS A 4 4.131 8.028 -2.331 1.00 0.00 O ATOM 52 CB CYS A 4 2.879 9.253 0.071 1.00 0.00 C ATOM 53 SG CYS A 4 1.362 8.883 1.013 1.00 0.00 S ATOM 0 H CYS A 4 4.781 9.118 1.673 1.00 0.00 H new ATOM 0 HA CYS A 4 3.378 7.156 0.107 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.349 10.141 0.493 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.606 9.494 -0.956 1.00 0.00 H new ATOM 58 N ARG A 5 6.016 8.312 -1.140 1.00 0.00 N ATOM 59 CA ARG A 5 6.873 8.363 -2.321 1.00 0.00 C ATOM 60 C ARG A 5 7.653 7.062 -2.504 1.00 0.00 C ATOM 61 O ARG A 5 8.214 6.815 -3.571 1.00 0.00 O ATOM 62 CB ARG A 5 7.845 9.540 -2.220 1.00 0.00 C ATOM 63 CG ARG A 5 8.560 9.623 -0.882 1.00 0.00 C ATOM 64 CD ARG A 5 10.028 9.982 -1.050 1.00 0.00 C ATOM 65 NE ARG A 5 10.804 9.677 0.149 1.00 0.00 N ATOM 66 CZ ARG A 5 12.127 9.527 0.160 1.00 0.00 C ATOM 67 NH1 ARG A 5 12.827 9.660 -0.959 1.00 0.00 N ATOM 68 NH2 ARG A 5 12.751 9.245 1.295 1.00 0.00 N ATOM 0 H ARG A 5 6.510 8.412 -0.253 1.00 0.00 H new ATOM 0 HA ARG A 5 6.229 8.498 -3.190 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.587 9.458 -3.015 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.298 10.468 -2.389 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.072 10.369 -0.255 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.476 8.667 -0.365 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.441 9.436 -1.898 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.118 11.044 -1.280 1.00 0.00 H new ATOM 0 HE ARG A 5 10.302 9.573 1.031 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.352 9.878 -1.835 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.840 9.544 -0.944 1.00 0.00 H new ATOM 0 HH21 ARG A 5 12.218 9.143 2.159 1.00 0.00 H new ATOM 0 HH22 ARG A 5 13.764 9.130 1.305 1.00 0.00 H new ATOM 82 N LEU A 6 7.693 6.232 -1.463 1.00 0.00 N ATOM 83 CA LEU A 6 8.413 4.964 -1.533 1.00 0.00 C ATOM 84 C LEU A 6 7.453 3.802 -1.787 1.00 0.00 C ATOM 85 O LEU A 6 6.406 3.703 -1.149 1.00 0.00 O ATOM 86 CB LEU A 6 9.199 4.724 -0.240 1.00 0.00 C ATOM 87 CG LEU A 6 8.350 4.621 1.028 1.00 0.00 C ATOM 88 CD1 LEU A 6 7.978 3.172 1.304 1.00 0.00 C ATOM 89 CD2 LEU A 6 9.094 5.217 2.215 1.00 0.00 C ATOM 0 H LEU A 6 7.239 6.414 -0.568 1.00 0.00 H new ATOM 0 HA LEU A 6 9.112 5.019 -2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.774 3.805 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.916 5.535 -0.113 1.00 0.00 H new ATOM 0 HG LEU A 6 7.432 5.188 0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.374 3.118 2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.408 2.776 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.885 2.582 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.476 5.136 3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.028 4.676 2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.312 6.267 2.018 1.00 0.00 H new ATOM 101 N PRO A 7 7.798 2.905 -2.730 1.00 0.00 N ATOM 102 CA PRO A 7 6.960 1.751 -3.068 1.00 0.00 C ATOM 103 C PRO A 7 7.089 0.619 -2.053 1.00 0.00 C ATOM 104 O PRO A 7 8.082 0.527 -1.332 1.00 0.00 O ATOM 105 CB PRO A 7 7.509 1.315 -4.425 1.00 0.00 C ATOM 106 CG PRO A 7 8.949 1.694 -4.380 1.00 0.00 C ATOM 107 CD PRO A 7 9.029 2.947 -3.545 1.00 0.00 C ATOM 0 HA PRO A 7 5.899 2.002 -3.076 1.00 0.00 H new ATOM 0 HB2 PRO A 7 7.385 0.243 -4.578 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.991 1.816 -5.243 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.548 0.896 -3.942 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.337 1.870 -5.383 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.922 2.955 -2.921 1.00 0.00 H new ATOM 0 HD3 PRO A 7 9.067 3.841 -4.167 1.00 0.00 H new ATOM 115 N SER A 8 6.077 -0.243 -2.007 1.00 0.00 N ATOM 116 CA SER A 8 6.073 -1.371 -1.082 1.00 0.00 C ATOM 117 C SER A 8 6.236 -2.692 -1.831 1.00 0.00 C ATOM 118 O SER A 8 5.815 -2.820 -2.981 1.00 0.00 O ATOM 119 CB SER A 8 4.777 -1.385 -0.269 1.00 0.00 C ATOM 120 OG SER A 8 4.996 -0.913 1.048 1.00 0.00 O ATOM 0 H SER A 8 5.249 -0.181 -2.600 1.00 0.00 H new ATOM 0 HA SER A 8 6.918 -1.256 -0.403 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.029 -0.764 -0.761 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.377 -2.398 -0.234 1.00 0.00 H new ATOM 0 HG SER A 8 5.229 -1.666 1.631 1.00 0.00 H new ATOM 126 N ASP A 9 6.842 -3.673 -1.169 1.00 0.00 N ATOM 127 CA ASP A 9 7.053 -4.984 -1.771 1.00 0.00 C ATOM 128 C ASP A 9 5.869 -5.902 -1.484 1.00 0.00 C ATOM 129 O ASP A 9 5.272 -5.843 -0.410 1.00 0.00 O ATOM 130 CB ASP A 9 8.346 -5.612 -1.244 1.00 0.00 C ATOM 131 CG ASP A 9 9.482 -5.520 -2.245 1.00 0.00 C ATOM 132 OD1 ASP A 9 9.694 -4.423 -2.802 1.00 0.00 O ATOM 133 OD2 ASP A 9 10.157 -6.546 -2.472 1.00 0.00 O ATOM 0 H ASP A 9 7.195 -3.584 -0.216 1.00 0.00 H new ATOM 0 HA ASP A 9 7.140 -4.855 -2.850 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.638 -5.114 -0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.165 -6.659 -0.999 1.00 0.00 H new ATOM 138 N ARG A 10 5.525 -6.739 -2.457 1.00 0.00 N ATOM 139 CA ARG A 10 4.401 -7.656 -2.312 1.00 0.00 C ATOM 140 C ARG A 10 4.825 -8.999 -1.725 1.00 0.00 C ATOM 141 O ARG A 10 3.978 -9.836 -1.415 1.00 0.00 O ATOM 142 CB ARG A 10 3.725 -7.875 -3.665 1.00 0.00 C ATOM 143 CG ARG A 10 2.535 -6.960 -3.893 1.00 0.00 C ATOM 144 CD ARG A 10 1.888 -7.184 -5.253 1.00 0.00 C ATOM 145 NE ARG A 10 1.966 -8.574 -5.697 1.00 0.00 N ATOM 146 CZ ARG A 10 1.905 -8.953 -6.972 1.00 0.00 C ATOM 147 NH1 ARG A 10 1.757 -8.052 -7.936 1.00 0.00 N ATOM 148 NH2 ARG A 10 1.988 -10.240 -7.284 1.00 0.00 N ATOM 0 H ARG A 10 6.008 -6.801 -3.353 1.00 0.00 H new ATOM 0 HA ARG A 10 3.698 -7.199 -1.616 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.455 -7.716 -4.459 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.397 -8.912 -3.737 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.796 -7.126 -3.109 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.857 -5.922 -3.812 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.842 -6.881 -5.207 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.373 -6.544 -5.990 1.00 0.00 H new ATOM 0 HE ARG A 10 2.074 -9.298 -4.987 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.689 -7.061 -7.702 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.711 -8.350 -8.910 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.098 -10.937 -6.548 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.941 -10.532 -8.260 1.00 0.00 H new ATOM 162 N GLY A 11 6.131 -9.213 -1.580 1.00 0.00 N ATOM 163 CA GLY A 11 6.610 -10.472 -1.036 1.00 0.00 C ATOM 164 C GLY A 11 5.973 -11.668 -1.720 1.00 0.00 C ATOM 165 O GLY A 11 4.946 -12.173 -1.265 1.00 0.00 O ATOM 0 H GLY A 11 6.860 -8.543 -1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.693 -10.526 -1.147 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.397 -10.510 0.032 1.00 0.00 H new ATOM 169 N ARG A 12 6.576 -12.112 -2.821 1.00 0.00 N ATOM 170 CA ARG A 12 6.058 -13.248 -3.584 1.00 0.00 C ATOM 171 C ARG A 12 5.580 -14.366 -2.663 1.00 0.00 C ATOM 172 O ARG A 12 4.577 -15.029 -2.954 1.00 0.00 O ATOM 173 CB ARG A 12 7.128 -13.778 -4.539 1.00 0.00 C ATOM 174 CG ARG A 12 6.586 -14.157 -5.908 1.00 0.00 C ATOM 175 CD ARG A 12 6.317 -12.927 -6.762 1.00 0.00 C ATOM 176 NE ARG A 12 6.821 -13.085 -8.123 1.00 0.00 N ATOM 177 CZ ARG A 12 8.110 -13.022 -8.449 1.00 0.00 C ATOM 178 NH1 ARG A 12 9.028 -12.807 -7.514 1.00 0.00 N ATOM 179 NH2 ARG A 12 8.483 -13.175 -9.712 1.00 0.00 N ATOM 0 H ARG A 12 7.427 -11.701 -3.206 1.00 0.00 H new ATOM 0 HA ARG A 12 5.203 -12.898 -4.162 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.902 -13.021 -4.661 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.603 -14.651 -4.091 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.300 -14.805 -6.416 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.665 -14.728 -5.790 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.245 -12.734 -6.793 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.784 -12.057 -6.301 1.00 0.00 H new ATOM 0 HE ARG A 12 6.145 -13.254 -8.868 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.747 -12.689 -6.541 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.014 -12.760 -7.769 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.782 -13.341 -10.434 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.471 -13.127 -9.961 1.00 0.00 H new ATOM 193 N CYS A 13 6.301 -14.560 -1.549 1.00 0.00 N ATOM 194 CA CYS A 13 5.960 -15.592 -0.561 1.00 0.00 C ATOM 195 C CYS A 13 4.526 -16.062 -0.758 1.00 0.00 C ATOM 196 O CYS A 13 3.617 -15.238 -0.823 1.00 0.00 O ATOM 197 CB CYS A 13 6.136 -15.054 0.865 1.00 0.00 C ATOM 198 SG CYS A 13 7.635 -14.042 1.115 1.00 0.00 S ATOM 0 H CYS A 13 7.128 -14.012 -1.310 1.00 0.00 H new ATOM 0 HA CYS A 13 6.635 -16.436 -0.705 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.262 -14.456 1.124 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.162 -15.896 1.556 1.00 0.00 H new ATOM 203 N LYS A 14 4.336 -17.379 -0.881 1.00 0.00 N ATOM 204 CA LYS A 14 3.009 -17.964 -1.116 1.00 0.00 C ATOM 205 C LYS A 14 1.899 -17.105 -0.524 1.00 0.00 C ATOM 206 O LYS A 14 1.380 -17.386 0.557 1.00 0.00 O ATOM 207 CB LYS A 14 2.940 -19.378 -0.536 1.00 0.00 C ATOM 208 CG LYS A 14 3.413 -20.454 -1.501 1.00 0.00 C ATOM 209 CD LYS A 14 2.488 -20.573 -2.702 1.00 0.00 C ATOM 210 CE LYS A 14 2.320 -22.021 -3.134 1.00 0.00 C ATOM 211 NZ LYS A 14 1.197 -22.185 -4.097 1.00 0.00 N ATOM 0 H LYS A 14 5.088 -18.065 -0.822 1.00 0.00 H new ATOM 0 HA LYS A 14 2.858 -18.008 -2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.546 -19.421 0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.912 -19.592 -0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.423 -20.222 -1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.463 -21.412 -0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.514 -20.150 -2.456 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.889 -19.989 -3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.245 -22.373 -3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.140 -22.643 -2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.115 -23.186 -4.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.310 -21.873 -3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.380 -21.611 -4.945 1.00 0.00 H new ATOM 225 N ALA A 15 1.561 -16.041 -1.245 1.00 0.00 N ATOM 226 CA ALA A 15 0.534 -15.110 -0.803 1.00 0.00 C ATOM 227 C ALA A 15 -0.743 -15.221 -1.628 1.00 0.00 C ATOM 228 O ALA A 15 -0.787 -15.912 -2.646 1.00 0.00 O ATOM 229 CB ALA A 15 1.067 -13.693 -0.870 1.00 0.00 C ATOM 0 H ALA A 15 1.986 -15.803 -2.141 1.00 0.00 H new ATOM 0 HA ALA A 15 0.280 -15.367 0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.296 -12.998 -0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.940 -13.602 -0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.350 -13.459 -1.896 1.00 0.00 H new ATOM 235 N SER A 16 -1.778 -14.523 -1.172 1.00 0.00 N ATOM 236 CA SER A 16 -3.067 -14.518 -1.851 1.00 0.00 C ATOM 237 C SER A 16 -3.983 -13.456 -1.252 1.00 0.00 C ATOM 238 O SER A 16 -5.198 -13.643 -1.175 1.00 0.00 O ATOM 239 CB SER A 16 -3.728 -15.895 -1.753 1.00 0.00 C ATOM 240 OG SER A 16 -4.503 -16.172 -2.905 1.00 0.00 O ATOM 0 H SER A 16 -1.747 -13.950 -0.329 1.00 0.00 H new ATOM 0 HA SER A 16 -2.899 -14.283 -2.902 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.962 -16.662 -1.633 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.361 -15.936 -0.867 1.00 0.00 H new ATOM 0 HG SER A 16 -4.913 -17.058 -2.818 1.00 0.00 H new ATOM 246 N PHE A 17 -3.394 -12.341 -0.822 1.00 0.00 N ATOM 247 CA PHE A 17 -4.163 -11.254 -0.224 1.00 0.00 C ATOM 248 C PHE A 17 -3.885 -9.933 -0.930 1.00 0.00 C ATOM 249 O PHE A 17 -2.752 -9.453 -0.947 1.00 0.00 O ATOM 250 CB PHE A 17 -3.831 -11.124 1.264 1.00 0.00 C ATOM 251 CG PHE A 17 -3.962 -12.413 2.023 1.00 0.00 C ATOM 252 CD1 PHE A 17 -2.914 -13.320 2.063 1.00 0.00 C ATOM 253 CD2 PHE A 17 -5.134 -12.722 2.695 1.00 0.00 C ATOM 254 CE1 PHE A 17 -3.033 -14.508 2.757 1.00 0.00 C ATOM 255 CE2 PHE A 17 -5.259 -13.908 3.392 1.00 0.00 C ATOM 256 CZ PHE A 17 -4.207 -14.803 3.423 1.00 0.00 C ATOM 0 H PHE A 17 -2.390 -12.168 -0.877 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.221 -11.491 -0.337 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.812 -10.752 1.369 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.490 -10.380 1.711 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.993 -13.095 1.545 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.960 -12.027 2.673 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.209 -15.206 2.779 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.178 -14.135 3.912 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.302 -15.731 3.967 1.00 0.00 H new ATOM 266 N GLU A 18 -4.928 -9.346 -1.506 1.00 0.00 N ATOM 267 CA GLU A 18 -4.795 -8.075 -2.206 1.00 0.00 C ATOM 268 C GLU A 18 -4.881 -6.915 -1.221 1.00 0.00 C ATOM 269 O GLU A 18 -5.786 -6.865 -0.387 1.00 0.00 O ATOM 270 CB GLU A 18 -5.879 -7.940 -3.278 1.00 0.00 C ATOM 271 CG GLU A 18 -5.375 -8.211 -4.687 1.00 0.00 C ATOM 272 CD GLU A 18 -5.895 -7.204 -5.694 1.00 0.00 C ATOM 273 OE1 GLU A 18 -7.108 -7.232 -5.989 1.00 0.00 O ATOM 274 OE2 GLU A 18 -5.089 -6.388 -6.188 1.00 0.00 O ATOM 0 H GLU A 18 -5.873 -9.730 -1.502 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.820 -8.049 -2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.691 -8.631 -3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.296 -6.934 -3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.285 -8.192 -4.689 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.677 -9.213 -4.991 1.00 0.00 H new ATOM 281 N ARG A 19 -3.933 -5.989 -1.313 1.00 0.00 N ATOM 282 CA ARG A 19 -3.908 -4.839 -0.419 1.00 0.00 C ATOM 283 C ARG A 19 -3.722 -3.539 -1.195 1.00 0.00 C ATOM 284 O ARG A 19 -3.532 -3.549 -2.411 1.00 0.00 O ATOM 285 CB ARG A 19 -2.796 -5.004 0.617 1.00 0.00 C ATOM 286 CG ARG A 19 -3.063 -6.123 1.611 1.00 0.00 C ATOM 287 CD ARG A 19 -2.450 -5.829 2.971 1.00 0.00 C ATOM 288 NE ARG A 19 -3.358 -6.175 4.062 1.00 0.00 N ATOM 289 CZ ARG A 19 -2.958 -6.544 5.278 1.00 0.00 C ATOM 290 NH1 ARG A 19 -1.666 -6.613 5.570 1.00 0.00 N ATOM 291 NH2 ARG A 19 -3.857 -6.844 6.205 1.00 0.00 N ATOM 0 H ARG A 19 -3.175 -6.012 -1.995 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.868 -4.787 0.094 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.856 -5.201 0.102 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.672 -4.067 1.160 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.138 -6.263 1.720 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.657 -7.058 1.224 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.521 -6.389 3.080 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.194 -4.771 3.033 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.361 -6.131 3.881 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.970 -6.383 4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.369 -6.896 6.504 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.852 -6.792 5.986 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.554 -7.127 7.137 1.00 0.00 H new ATOM 305 N TRP A 20 -3.791 -2.419 -0.481 1.00 0.00 N ATOM 306 CA TRP A 20 -3.644 -1.106 -1.098 1.00 0.00 C ATOM 307 C TRP A 20 -2.301 -0.472 -0.754 1.00 0.00 C ATOM 308 O TRP A 20 -1.720 -0.744 0.297 1.00 0.00 O ATOM 309 CB TRP A 20 -4.780 -0.187 -0.653 1.00 0.00 C ATOM 310 CG TRP A 20 -6.131 -0.659 -1.090 1.00 0.00 C ATOM 311 CD1 TRP A 20 -6.932 -1.557 -0.447 1.00 0.00 C ATOM 312 CD2 TRP A 20 -6.837 -0.263 -2.270 1.00 0.00 C ATOM 313 NE1 TRP A 20 -8.095 -1.739 -1.151 1.00 0.00 N ATOM 314 CE2 TRP A 20 -8.061 -0.956 -2.275 1.00 0.00 C ATOM 315 CE3 TRP A 20 -6.556 0.614 -3.322 1.00 0.00 C ATOM 316 CZ2 TRP A 20 -9.001 -0.802 -3.287 1.00 0.00 C ATOM 317 CZ3 TRP A 20 -7.490 0.766 -4.330 1.00 0.00 C ATOM 318 CH2 TRP A 20 -8.700 0.061 -4.305 1.00 0.00 C ATOM 0 H TRP A 20 -3.948 -2.395 0.527 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.686 -1.241 -2.179 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.766 -0.104 0.434 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -4.606 0.813 -1.051 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -6.686 -2.052 0.481 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.861 -2.357 -0.882 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.626 1.163 -3.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -9.935 -1.344 -3.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -7.283 1.439 -5.149 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -9.410 0.202 -5.106 1.00 0.00 H new ATOM 329 N TYR A 21 -1.815 0.376 -1.656 1.00 0.00 N ATOM 330 CA TYR A 21 -0.535 1.060 -1.468 1.00 0.00 C ATOM 331 C TYR A 21 -0.582 2.449 -2.096 1.00 0.00 C ATOM 332 O TYR A 21 -1.388 2.706 -2.990 1.00 0.00 O ATOM 333 CB TYR A 21 0.602 0.245 -2.097 1.00 0.00 C ATOM 334 CG TYR A 21 0.224 -0.359 -3.429 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.765 -1.324 -3.503 1.00 0.00 C ATOM 336 CD2 TYR A 21 0.828 0.055 -4.610 1.00 0.00 C ATOM 337 CE1 TYR A 21 -1.144 -1.865 -4.707 1.00 0.00 C ATOM 338 CE2 TYR A 21 0.447 -0.478 -5.828 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.542 -1.440 -5.869 1.00 0.00 C ATOM 340 OH TYR A 21 -0.948 -1.960 -7.076 1.00 0.00 O ATOM 0 H TYR A 21 -2.289 0.608 -2.529 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.350 1.159 -0.398 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.473 0.887 -2.229 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.894 -0.551 -1.412 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.248 -1.658 -2.597 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.606 0.803 -4.576 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.913 -2.623 -4.742 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.920 -0.144 -6.740 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.425 -1.556 -7.799 1.00 0.00 H new ATOM 350 N PHE A 22 0.282 3.341 -1.628 1.00 0.00 N ATOM 351 CA PHE A 22 0.326 4.700 -2.157 1.00 0.00 C ATOM 352 C PHE A 22 1.295 4.796 -3.330 1.00 0.00 C ATOM 353 O PHE A 22 2.422 4.306 -3.260 1.00 0.00 O ATOM 354 CB PHE A 22 0.730 5.688 -1.063 1.00 0.00 C ATOM 355 CG PHE A 22 0.016 7.005 -1.161 1.00 0.00 C ATOM 356 CD1 PHE A 22 0.512 8.018 -1.965 1.00 0.00 C ATOM 357 CD2 PHE A 22 -1.153 7.227 -0.452 1.00 0.00 C ATOM 358 CE1 PHE A 22 -0.146 9.229 -2.061 1.00 0.00 C ATOM 359 CE2 PHE A 22 -1.814 8.437 -0.543 1.00 0.00 C ATOM 360 CZ PHE A 22 -1.311 9.439 -1.350 1.00 0.00 C ATOM 0 H PHE A 22 0.958 3.151 -0.888 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.673 4.955 -2.512 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.527 5.244 -0.089 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.805 5.860 -1.117 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.423 7.859 -2.523 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.552 6.446 0.179 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.251 10.011 -2.692 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.723 8.599 0.017 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.828 10.384 -1.425 1.00 0.00 H new ATOM 370 N ASN A 23 0.847 5.429 -4.410 1.00 0.00 N ATOM 371 CA ASN A 23 1.673 5.588 -5.601 1.00 0.00 C ATOM 372 C ASN A 23 1.639 7.030 -6.101 1.00 0.00 C ATOM 373 O ASN A 23 0.890 7.361 -7.020 1.00 0.00 O ATOM 374 CB ASN A 23 1.201 4.641 -6.704 1.00 0.00 C ATOM 375 CG ASN A 23 2.167 4.587 -7.873 1.00 0.00 C ATOM 376 OD1 ASN A 23 3.297 4.116 -7.739 1.00 0.00 O ATOM 377 ND2 ASN A 23 1.726 5.071 -9.028 1.00 0.00 N ATOM 0 H ASN A 23 -0.084 5.840 -4.484 1.00 0.00 H new ATOM 0 HA ASN A 23 2.701 5.341 -5.335 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.078 3.640 -6.291 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.222 4.962 -7.060 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.331 5.062 -9.849 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.782 5.452 -9.094 1.00 0.00 H new ATOM 384 N GLY A 24 2.457 7.881 -5.490 1.00 0.00 N ATOM 385 CA GLY A 24 2.509 9.275 -5.887 1.00 0.00 C ATOM 386 C GLY A 24 1.480 10.124 -5.170 1.00 0.00 C ATOM 387 O GLY A 24 1.775 10.734 -4.143 1.00 0.00 O ATOM 0 H GLY A 24 3.085 7.629 -4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.505 9.670 -5.685 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.349 9.349 -6.963 1.00 0.00 H new ATOM 391 N ARG A 25 0.270 10.167 -5.717 1.00 0.00 N ATOM 392 CA ARG A 25 -0.808 10.954 -5.127 1.00 0.00 C ATOM 393 C ARG A 25 -2.112 10.158 -5.047 1.00 0.00 C ATOM 394 O ARG A 25 -3.129 10.674 -4.581 1.00 0.00 O ATOM 395 CB ARG A 25 -1.031 12.232 -5.938 1.00 0.00 C ATOM 396 CG ARG A 25 -1.265 11.982 -7.418 1.00 0.00 C ATOM 397 CD ARG A 25 -0.647 13.075 -8.274 1.00 0.00 C ATOM 398 NE ARG A 25 -0.100 12.550 -9.523 1.00 0.00 N ATOM 399 CZ ARG A 25 -0.839 12.256 -10.591 1.00 0.00 C ATOM 400 NH1 ARG A 25 -2.155 12.435 -10.566 1.00 0.00 N ATOM 401 NH2 ARG A 25 -0.261 11.783 -11.687 1.00 0.00 N ATOM 0 H ARG A 25 0.011 9.667 -6.567 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.509 11.212 -4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.888 12.767 -5.529 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.164 12.882 -5.821 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.841 11.017 -7.696 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.336 11.927 -7.614 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.401 13.830 -8.498 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.144 13.571 -7.712 1.00 0.00 H new ATOM 0 HE ARG A 25 0.907 12.400 -9.580 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.604 12.799 -9.726 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.716 12.208 -11.387 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.749 11.645 -11.712 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.827 11.558 -12.505 1.00 0.00 H new ATOM 415 N THR A 26 -2.087 8.907 -5.504 1.00 0.00 N ATOM 416 CA THR A 26 -3.278 8.067 -5.477 1.00 0.00 C ATOM 417 C THR A 26 -2.959 6.680 -4.925 1.00 0.00 C ATOM 418 O THR A 26 -1.794 6.327 -4.740 1.00 0.00 O ATOM 419 CB THR A 26 -3.873 7.944 -6.880 1.00 0.00 C ATOM 420 OG1 THR A 26 -3.709 9.153 -7.601 1.00 0.00 O ATOM 421 CG2 THR A 26 -5.349 7.608 -6.879 1.00 0.00 C ATOM 0 H THR A 26 -1.259 8.457 -5.895 1.00 0.00 H new ATOM 0 HA THR A 26 -4.007 8.540 -4.819 1.00 0.00 H new ATOM 0 HB THR A 26 -3.331 7.124 -7.352 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.094 9.055 -8.497 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.706 7.536 -7.906 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.505 6.655 -6.373 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.900 8.391 -6.357 1.00 0.00 H new ATOM 429 N CYS A 27 -4.003 5.899 -4.669 1.00 0.00 N ATOM 430 CA CYS A 27 -3.840 4.549 -4.142 1.00 0.00 C ATOM 431 C CYS A 27 -3.719 3.538 -5.279 1.00 0.00 C ATOM 432 O CYS A 27 -3.856 3.888 -6.451 1.00 0.00 O ATOM 433 CB CYS A 27 -5.018 4.188 -3.235 1.00 0.00 C ATOM 434 SG CYS A 27 -4.537 3.329 -1.701 1.00 0.00 S ATOM 0 H CYS A 27 -4.973 6.178 -4.818 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.922 4.518 -3.555 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.556 5.100 -2.975 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.711 3.556 -3.791 1.00 0.00 H new ATOM 439 N ALA A 28 -3.450 2.287 -4.925 1.00 0.00 N ATOM 440 CA ALA A 28 -3.297 1.229 -5.918 1.00 0.00 C ATOM 441 C ALA A 28 -3.714 -0.131 -5.355 1.00 0.00 C ATOM 442 O ALA A 28 -4.060 -0.242 -4.177 1.00 0.00 O ATOM 443 CB ALA A 28 -1.869 1.195 -6.427 1.00 0.00 C ATOM 0 H ALA A 28 -3.333 1.980 -3.959 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.960 1.448 -6.755 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.765 0.402 -7.168 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.623 2.153 -6.885 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.191 1.005 -5.595 1.00 0.00 H new ATOM 449 N LYS A 29 -3.691 -1.162 -6.205 1.00 0.00 N ATOM 450 CA LYS A 29 -4.088 -2.509 -5.792 1.00 0.00 C ATOM 451 C LYS A 29 -3.145 -3.567 -6.363 1.00 0.00 C ATOM 452 O LYS A 29 -2.750 -3.504 -7.526 1.00 0.00 O ATOM 453 CB LYS A 29 -5.525 -2.797 -6.234 1.00 0.00 C ATOM 454 CG LYS A 29 -6.545 -2.654 -5.115 1.00 0.00 C ATOM 455 CD LYS A 29 -7.379 -3.915 -4.954 1.00 0.00 C ATOM 456 CE LYS A 29 -7.646 -4.225 -3.489 1.00 0.00 C ATOM 457 NZ LYS A 29 -8.635 -5.325 -3.325 1.00 0.00 N ATOM 0 H LYS A 29 -3.402 -1.089 -7.181 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.030 -2.555 -4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.790 -2.119 -7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.577 -3.809 -6.635 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.031 -2.435 -4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.200 -1.808 -5.325 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.326 -3.795 -5.480 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.862 -4.756 -5.416 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.712 -4.501 -3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.014 -3.329 -2.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.789 -5.505 -2.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.535 -5.052 -3.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.273 -6.188 -3.779 1.00 0.00 H new ATOM 471 N PHE A 30 -2.784 -4.535 -5.523 1.00 0.00 N ATOM 472 CA PHE A 30 -1.877 -5.604 -5.924 1.00 0.00 C ATOM 473 C PHE A 30 -1.948 -6.779 -4.943 1.00 0.00 C ATOM 474 O PHE A 30 -2.662 -6.712 -3.943 1.00 0.00 O ATOM 475 CB PHE A 30 -0.447 -5.060 -6.042 1.00 0.00 C ATOM 476 CG PHE A 30 0.161 -4.559 -4.749 1.00 0.00 C ATOM 477 CD1 PHE A 30 -0.566 -4.533 -3.564 1.00 0.00 C ATOM 478 CD2 PHE A 30 1.471 -4.105 -4.728 1.00 0.00 C ATOM 479 CE1 PHE A 30 0.004 -4.068 -2.394 1.00 0.00 C ATOM 480 CE2 PHE A 30 2.044 -3.640 -3.559 1.00 0.00 C ATOM 481 CZ PHE A 30 1.310 -3.621 -2.392 1.00 0.00 C ATOM 0 H PHE A 30 -3.108 -4.599 -4.558 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.184 -5.978 -6.901 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.192 -5.846 -6.444 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.444 -4.245 -6.766 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.589 -4.880 -3.558 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.052 -4.115 -5.638 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.573 -4.054 -1.481 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.066 -3.292 -3.560 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.756 -3.257 -1.478 1.00 0.00 H new ATOM 491 N ILE A 31 -1.225 -7.861 -5.237 1.00 0.00 N ATOM 492 CA ILE A 31 -1.239 -9.042 -4.376 1.00 0.00 C ATOM 493 C ILE A 31 -0.159 -8.960 -3.299 1.00 0.00 C ATOM 494 O ILE A 31 1.018 -9.184 -3.566 1.00 0.00 O ATOM 495 CB ILE A 31 -1.030 -10.325 -5.203 1.00 0.00 C ATOM 496 CG1 ILE A 31 -2.076 -10.415 -6.316 1.00 0.00 C ATOM 497 CG2 ILE A 31 -1.095 -11.557 -4.309 1.00 0.00 C ATOM 498 CD1 ILE A 31 -3.493 -10.567 -5.804 1.00 0.00 C ATOM 0 H ILE A 31 -0.627 -7.943 -6.059 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.216 -9.075 -3.894 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.040 -10.285 -5.658 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.016 -9.519 -6.933 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.838 -11.262 -6.959 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.945 -12.452 -4.912 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.316 -11.497 -3.549 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.071 -11.604 -3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.181 -10.624 -6.648 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.570 -11.478 -5.211 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.750 -9.708 -5.184 1.00 0.00 H new ATOM 510 N TYR A 32 -0.570 -8.637 -2.078 1.00 0.00 N ATOM 511 CA TYR A 32 0.367 -8.522 -0.968 1.00 0.00 C ATOM 512 C TYR A 32 0.545 -9.852 -0.244 1.00 0.00 C ATOM 513 O TYR A 32 -0.410 -10.611 -0.063 1.00 0.00 O ATOM 514 CB TYR A 32 -0.109 -7.457 0.020 1.00 0.00 C ATOM 515 CG TYR A 32 0.907 -7.129 1.092 1.00 0.00 C ATOM 516 CD1 TYR A 32 2.116 -6.526 0.769 1.00 0.00 C ATOM 517 CD2 TYR A 32 0.655 -7.423 2.426 1.00 0.00 C ATOM 518 CE1 TYR A 32 3.047 -6.226 1.745 1.00 0.00 C ATOM 519 CE2 TYR A 32 1.581 -7.125 3.408 1.00 0.00 C ATOM 520 CZ TYR A 32 2.775 -6.528 3.063 1.00 0.00 C ATOM 521 OH TYR A 32 3.699 -6.229 4.038 1.00 0.00 O ATOM 0 H TYR A 32 -1.542 -8.451 -1.833 1.00 0.00 H new ATOM 0 HA TYR A 32 1.332 -8.229 -1.382 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.353 -6.547 -0.529 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.029 -7.799 0.495 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.332 -6.288 -0.262 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.279 -7.892 2.700 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.983 -5.758 1.477 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.370 -7.359 4.441 1.00 0.00 H new ATOM 0 HH TYR A 32 3.353 -6.505 4.912 1.00 0.00 H new ATOM 531 N GLY A 33 1.779 -10.122 0.172 1.00 0.00 N ATOM 532 CA GLY A 33 2.080 -11.352 0.879 1.00 0.00 C ATOM 533 C GLY A 33 2.560 -11.102 2.296 1.00 0.00 C ATOM 534 O GLY A 33 2.271 -11.881 3.203 1.00 0.00 O ATOM 0 H GLY A 33 2.580 -9.506 0.030 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.189 -11.980 0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.844 -11.905 0.332 1.00 0.00 H new ATOM 538 N GLY A 34 3.294 -10.010 2.485 1.00 0.00 N ATOM 539 CA GLY A 34 3.800 -9.678 3.804 1.00 0.00 C ATOM 540 C GLY A 34 5.315 -9.593 3.851 1.00 0.00 C ATOM 541 O GLY A 34 5.888 -9.230 4.879 1.00 0.00 O ATOM 0 H GLY A 34 3.547 -9.350 1.750 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.378 -8.724 4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.461 -10.429 4.517 1.00 0.00 H new ATOM 545 N CYS A 35 5.970 -9.926 2.741 1.00 0.00 N ATOM 546 CA CYS A 35 7.427 -9.880 2.674 1.00 0.00 C ATOM 547 C CYS A 35 7.893 -8.661 1.883 1.00 0.00 C ATOM 548 O CYS A 35 7.854 -8.654 0.650 1.00 0.00 O ATOM 549 CB CYS A 35 7.979 -11.164 2.045 1.00 0.00 C ATOM 550 SG CYS A 35 7.074 -12.678 2.512 1.00 0.00 S ATOM 0 H CYS A 35 5.516 -10.229 1.879 1.00 0.00 H new ATOM 0 HA CYS A 35 7.811 -9.799 3.691 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.957 -11.062 0.960 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.024 -11.276 2.334 1.00 0.00 H new ATOM 555 N GLY A 36 8.331 -7.631 2.601 1.00 0.00 N ATOM 556 CA GLY A 36 8.797 -6.418 1.956 1.00 0.00 C ATOM 557 C GLY A 36 7.804 -5.277 2.073 1.00 0.00 C ATOM 558 O GLY A 36 6.995 -5.055 1.173 1.00 0.00 O ATOM 0 H GLY A 36 8.371 -7.616 3.620 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.746 -6.116 2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.989 -6.622 0.902 1.00 0.00 H new ATOM 562 N GLY A 37 7.867 -4.549 3.185 1.00 0.00 N ATOM 563 CA GLY A 37 6.963 -3.434 3.396 1.00 0.00 C ATOM 564 C GLY A 37 7.403 -2.544 4.543 1.00 0.00 C ATOM 565 O GLY A 37 8.089 -2.996 5.459 1.00 0.00 O ATOM 0 H GLY A 37 8.529 -4.713 3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.901 -2.842 2.483 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.962 -3.814 3.598 1.00 0.00 H new ATOM 569 N ASN A 38 7.009 -1.275 4.492 1.00 0.00 N ATOM 570 CA ASN A 38 7.371 -0.321 5.537 1.00 0.00 C ATOM 571 C ASN A 38 6.187 0.577 5.896 1.00 0.00 C ATOM 572 O ASN A 38 5.472 0.315 6.863 1.00 0.00 O ATOM 573 CB ASN A 38 8.570 0.530 5.099 1.00 0.00 C ATOM 574 CG ASN A 38 8.626 0.742 3.596 1.00 0.00 C ATOM 575 OD1 ASN A 38 7.610 1.019 2.959 1.00 0.00 O ATOM 576 ND2 ASN A 38 9.817 0.610 3.024 1.00 0.00 N ATOM 0 H ASN A 38 6.441 -0.884 3.741 1.00 0.00 H new ATOM 0 HA ASN A 38 7.650 -0.888 6.425 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.523 1.499 5.596 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.491 0.048 5.428 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.916 0.739 2.017 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.633 0.379 3.592 1.00 0.00 H new ATOM 583 N GLY A 39 5.985 1.634 5.115 1.00 0.00 N ATOM 584 CA GLY A 39 4.888 2.549 5.375 1.00 0.00 C ATOM 585 C GLY A 39 4.035 2.813 4.146 1.00 0.00 C ATOM 586 O GLY A 39 3.068 3.571 4.211 1.00 0.00 O ATOM 0 H GLY A 39 6.561 1.873 4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.260 2.140 6.166 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.289 3.494 5.743 1.00 0.00 H new ATOM 590 N ASN A 40 4.390 2.191 3.024 1.00 0.00 N ATOM 591 CA ASN A 40 3.643 2.372 1.785 1.00 0.00 C ATOM 592 C ASN A 40 2.524 1.344 1.663 1.00 0.00 C ATOM 593 O ASN A 40 1.508 1.592 1.012 1.00 0.00 O ATOM 594 CB ASN A 40 4.582 2.267 0.581 1.00 0.00 C ATOM 595 CG ASN A 40 3.889 2.608 -0.723 1.00 0.00 C ATOM 596 OD1 ASN A 40 3.676 1.741 -1.570 1.00 0.00 O ATOM 597 ND2 ASN A 40 3.536 3.876 -0.892 1.00 0.00 N ATOM 0 H ASN A 40 5.188 1.560 2.949 1.00 0.00 H new ATOM 0 HA ASN A 40 3.194 3.365 1.804 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.430 2.937 0.725 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.982 1.255 0.523 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.068 4.165 -1.751 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.732 4.562 -0.163 1.00 0.00 H new ATOM 604 N LYS A 41 2.716 0.187 2.292 1.00 0.00 N ATOM 605 CA LYS A 41 1.721 -0.878 2.251 1.00 0.00 C ATOM 606 C LYS A 41 0.525 -0.547 3.141 1.00 0.00 C ATOM 607 O LYS A 41 0.679 0.029 4.218 1.00 0.00 O ATOM 608 CB LYS A 41 2.349 -2.204 2.692 1.00 0.00 C ATOM 609 CG LYS A 41 1.352 -3.348 2.806 1.00 0.00 C ATOM 610 CD LYS A 41 1.142 -3.771 4.254 1.00 0.00 C ATOM 611 CE LYS A 41 -0.302 -3.580 4.689 1.00 0.00 C ATOM 612 NZ LYS A 41 -0.412 -3.320 6.152 1.00 0.00 N ATOM 0 H LYS A 41 3.550 -0.035 2.835 1.00 0.00 H new ATOM 0 HA LYS A 41 1.368 -0.971 1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.126 -2.482 1.980 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.836 -2.062 3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.399 -3.044 2.374 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.708 -4.200 2.226 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.423 -4.818 4.372 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.798 -3.190 4.902 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.740 -2.747 4.138 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.879 -4.469 4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.214 -3.856 6.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.465 -3.618 6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.564 -2.304 6.314 1.00 0.00 H new ATOM 626 N PHE A 42 -0.667 -0.919 2.680 1.00 0.00 N ATOM 627 CA PHE A 42 -1.893 -0.668 3.431 1.00 0.00 C ATOM 628 C PHE A 42 -2.948 -1.726 3.107 1.00 0.00 C ATOM 629 O PHE A 42 -3.121 -2.099 1.949 1.00 0.00 O ATOM 630 CB PHE A 42 -2.437 0.725 3.113 1.00 0.00 C ATOM 631 CG PHE A 42 -1.449 1.829 3.364 1.00 0.00 C ATOM 632 CD1 PHE A 42 -1.208 2.279 4.651 1.00 0.00 C ATOM 633 CD2 PHE A 42 -0.764 2.415 2.312 1.00 0.00 C ATOM 634 CE1 PHE A 42 -0.300 3.295 4.885 1.00 0.00 C ATOM 635 CE2 PHE A 42 0.145 3.430 2.540 1.00 0.00 C ATOM 636 CZ PHE A 42 0.377 3.871 3.828 1.00 0.00 C ATOM 0 H PHE A 42 -0.809 -1.396 1.789 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.659 -0.722 4.494 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.745 0.756 2.068 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.329 0.903 3.714 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.735 1.832 5.481 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.943 2.075 1.303 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.120 3.638 5.893 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.674 3.878 1.712 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.087 4.665 4.008 1.00 0.00 H new ATOM 646 N PRO A 43 -3.670 -2.224 4.126 1.00 0.00 N ATOM 647 CA PRO A 43 -4.709 -3.244 3.933 1.00 0.00 C ATOM 648 C PRO A 43 -5.903 -2.721 3.141 1.00 0.00 C ATOM 649 O PRO A 43 -6.404 -3.394 2.240 1.00 0.00 O ATOM 650 CB PRO A 43 -5.134 -3.600 5.361 1.00 0.00 C ATOM 651 CG PRO A 43 -4.773 -2.405 6.175 1.00 0.00 C ATOM 652 CD PRO A 43 -3.535 -1.835 5.542 1.00 0.00 C ATOM 0 HA PRO A 43 -4.337 -4.093 3.359 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.203 -3.808 5.415 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.618 -4.492 5.717 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.582 -1.675 6.177 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.589 -2.681 7.213 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.485 -0.752 5.659 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.629 -2.246 5.988 1.00 0.00 H new ATOM 660 N THR A 44 -6.359 -1.520 3.485 1.00 0.00 N ATOM 661 CA THR A 44 -7.499 -0.912 2.806 1.00 0.00 C ATOM 662 C THR A 44 -7.134 0.454 2.233 1.00 0.00 C ATOM 663 O THR A 44 -6.239 1.135 2.739 1.00 0.00 O ATOM 664 CB THR A 44 -8.676 -0.774 3.772 1.00 0.00 C ATOM 665 OG1 THR A 44 -8.217 -0.534 5.091 1.00 0.00 O ATOM 666 CG2 THR A 44 -9.566 -1.997 3.811 1.00 0.00 C ATOM 0 H THR A 44 -5.957 -0.949 4.229 1.00 0.00 H new ATOM 0 HA THR A 44 -7.786 -1.563 1.980 1.00 0.00 H new ATOM 0 HB THR A 44 -9.259 0.067 3.397 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.985 -0.447 5.694 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.381 -1.832 4.516 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.977 -2.180 2.818 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.982 -2.862 4.127 1.00 0.00 H new ATOM 674 N GLN A 45 -7.836 0.851 1.175 1.00 0.00 N ATOM 675 CA GLN A 45 -7.592 2.137 0.533 1.00 0.00 C ATOM 676 C GLN A 45 -7.798 3.284 1.517 1.00 0.00 C ATOM 677 O GLN A 45 -7.174 4.337 1.398 1.00 0.00 O ATOM 678 CB GLN A 45 -8.517 2.313 -0.674 1.00 0.00 C ATOM 679 CG GLN A 45 -9.994 2.283 -0.318 1.00 0.00 C ATOM 680 CD GLN A 45 -10.831 3.158 -1.230 1.00 0.00 C ATOM 681 OE1 GLN A 45 -11.681 2.668 -1.974 1.00 0.00 O ATOM 682 NE2 GLN A 45 -10.594 4.464 -1.179 1.00 0.00 N ATOM 0 H GLN A 45 -8.578 0.300 0.745 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.556 2.154 0.194 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.288 3.261 -1.161 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.310 1.525 -1.398 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.356 1.256 -0.372 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.122 2.612 0.713 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.880 4.829 -0.548 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.126 5.102 -1.771 1.00 0.00 H new ATOM 691 N GLU A 46 -8.678 3.070 2.490 1.00 0.00 N ATOM 692 CA GLU A 46 -8.963 4.086 3.496 1.00 0.00 C ATOM 693 C GLU A 46 -7.714 4.405 4.312 1.00 0.00 C ATOM 694 O GLU A 46 -7.562 5.514 4.823 1.00 0.00 O ATOM 695 CB GLU A 46 -10.087 3.614 4.422 1.00 0.00 C ATOM 696 CG GLU A 46 -11.165 4.661 4.654 1.00 0.00 C ATOM 697 CD GLU A 46 -12.474 4.055 5.123 1.00 0.00 C ATOM 698 OE1 GLU A 46 -12.867 3.001 4.583 1.00 0.00 O ATOM 699 OE2 GLU A 46 -13.105 4.636 6.031 1.00 0.00 O ATOM 0 H GLU A 46 -9.205 2.204 2.603 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.282 4.993 2.983 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.545 2.721 3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.659 3.327 5.382 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.815 5.380 5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.335 5.213 3.730 1.00 0.00 H new ATOM 706 N ALA A 47 -6.823 3.426 4.430 1.00 0.00 N ATOM 707 CA ALA A 47 -5.589 3.603 5.185 1.00 0.00 C ATOM 708 C ALA A 47 -4.600 4.486 4.429 1.00 0.00 C ATOM 709 O ALA A 47 -3.945 5.345 5.021 1.00 0.00 O ATOM 710 CB ALA A 47 -4.964 2.252 5.496 1.00 0.00 C ATOM 0 H ALA A 47 -6.933 2.502 4.012 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.835 4.103 6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.043 2.398 6.060 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.660 1.656 6.086 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.740 1.732 4.565 1.00 0.00 H new ATOM 716 N CYS A 48 -4.491 4.269 3.122 1.00 0.00 N ATOM 717 CA CYS A 48 -3.575 5.048 2.294 1.00 0.00 C ATOM 718 C CYS A 48 -4.053 6.492 2.161 1.00 0.00 C ATOM 719 O CYS A 48 -3.247 7.420 2.080 1.00 0.00 O ATOM 720 CB CYS A 48 -3.420 4.402 0.910 1.00 0.00 C ATOM 721 SG CYS A 48 -4.797 4.722 -0.245 1.00 0.00 S ATOM 0 H CYS A 48 -5.023 3.563 2.614 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.601 5.058 2.783 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.495 4.761 0.459 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.315 3.325 1.038 1.00 0.00 H new ATOM 726 N MET A 49 -5.369 6.674 2.136 1.00 0.00 N ATOM 727 CA MET A 49 -5.956 8.004 2.011 1.00 0.00 C ATOM 728 C MET A 49 -6.079 8.687 3.371 1.00 0.00 C ATOM 729 O MET A 49 -6.198 9.908 3.451 1.00 0.00 O ATOM 730 CB MET A 49 -7.333 7.913 1.347 1.00 0.00 C ATOM 731 CG MET A 49 -7.303 8.163 -0.152 1.00 0.00 C ATOM 732 SD MET A 49 -8.933 8.545 -0.823 1.00 0.00 S ATOM 733 CE MET A 49 -8.636 10.161 -1.537 1.00 0.00 C ATOM 0 H MET A 49 -6.050 5.917 2.201 1.00 0.00 H new ATOM 0 HA MET A 49 -5.293 8.605 1.388 1.00 0.00 H new ATOM 0 HB2 MET A 49 -7.753 6.925 1.534 1.00 0.00 H new ATOM 0 HB3 MET A 49 -8.001 8.636 1.814 1.00 0.00 H new ATOM 0 HG2 MET A 49 -6.624 8.988 -0.366 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.904 7.283 -0.656 1.00 0.00 H new ATOM 0 HE1 MET A 49 -9.554 10.532 -1.992 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.314 10.850 -0.756 1.00 0.00 H new ATOM 0 HE3 MET A 49 -7.859 10.086 -2.297 1.00 0.00 H new ATOM 743 N LYS A 50 -6.054 7.896 4.440 1.00 0.00 N ATOM 744 CA LYS A 50 -6.168 8.438 5.789 1.00 0.00 C ATOM 745 C LYS A 50 -4.815 8.908 6.322 1.00 0.00 C ATOM 746 O LYS A 50 -4.749 9.601 7.337 1.00 0.00 O ATOM 747 CB LYS A 50 -6.763 7.388 6.731 1.00 0.00 C ATOM 748 CG LYS A 50 -6.940 7.879 8.159 1.00 0.00 C ATOM 749 CD LYS A 50 -7.472 6.781 9.066 1.00 0.00 C ATOM 750 CE LYS A 50 -6.411 6.302 10.044 1.00 0.00 C ATOM 751 NZ LYS A 50 -6.028 7.366 11.013 1.00 0.00 N ATOM 0 H LYS A 50 -5.956 6.882 4.398 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.831 9.302 5.744 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.731 7.071 6.343 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.118 6.509 6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.985 8.237 8.542 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.626 8.726 8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.336 7.151 9.618 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.815 5.942 8.461 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.784 5.433 10.587 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.528 5.979 9.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.643 6.929 11.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.307 7.982 10.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.866 7.932 11.256 1.00 0.00 H new ATOM 765 N ARG A 51 -3.737 8.526 5.642 1.00 0.00 N ATOM 766 CA ARG A 51 -2.395 8.911 6.067 1.00 0.00 C ATOM 767 C ARG A 51 -1.803 9.986 5.157 1.00 0.00 C ATOM 768 O ARG A 51 -0.948 10.762 5.581 1.00 0.00 O ATOM 769 CB ARG A 51 -1.476 7.689 6.092 1.00 0.00 C ATOM 770 CG ARG A 51 -1.407 6.950 4.765 1.00 0.00 C ATOM 771 CD ARG A 51 -0.020 7.031 4.149 1.00 0.00 C ATOM 772 NE ARG A 51 0.466 8.409 4.072 1.00 0.00 N ATOM 773 CZ ARG A 51 1.366 8.933 4.903 1.00 0.00 C ATOM 774 NH1 ARG A 51 1.872 8.209 5.896 1.00 0.00 N ATOM 775 NH2 ARG A 51 1.759 10.189 4.744 1.00 0.00 N ATOM 0 H ARG A 51 -3.766 7.953 4.799 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.475 9.326 7.072 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.472 8.006 6.374 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.822 7.001 6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.678 5.905 4.916 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.137 7.372 4.075 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.675 6.434 4.740 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.042 6.598 3.149 1.00 0.00 H new ATOM 0 HE ARG A 51 0.092 9.007 3.335 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.572 7.243 6.027 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.561 8.619 6.527 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.372 10.752 3.987 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.448 10.592 5.379 1.00 0.00 H new ATOM 789 N CYS A 52 -2.253 10.024 3.906 1.00 0.00 N ATOM 790 CA CYS A 52 -1.749 11.006 2.950 1.00 0.00 C ATOM 791 C CYS A 52 -2.822 12.028 2.578 1.00 0.00 C ATOM 792 O CYS A 52 -2.514 13.185 2.289 1.00 0.00 O ATOM 793 CB CYS A 52 -1.234 10.305 1.692 1.00 0.00 C ATOM 794 SG CYS A 52 0.496 10.702 1.273 1.00 0.00 S ATOM 0 H CYS A 52 -2.960 9.391 3.532 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.927 11.540 3.426 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.326 9.227 1.826 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.872 10.577 0.851 1.00 0.00 H new ATOM 799 N ALA A 53 -4.080 11.599 2.579 1.00 0.00 N ATOM 800 CA ALA A 53 -5.186 12.485 2.236 1.00 0.00 C ATOM 801 C ALA A 53 -5.798 13.115 3.482 1.00 0.00 C ATOM 802 O ALA A 53 -5.981 14.330 3.549 1.00 0.00 O ATOM 803 CB ALA A 53 -6.245 11.729 1.447 1.00 0.00 C ATOM 0 H ALA A 53 -4.358 10.646 2.813 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.792 13.289 1.615 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.064 12.404 1.198 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.805 11.338 0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.625 10.903 2.047 1.00 0.00 H new ATOM 809 N LYS A 54 -6.114 12.282 4.468 1.00 0.00 N ATOM 810 CA LYS A 54 -6.706 12.762 5.709 1.00 0.00 C ATOM 811 C LYS A 54 -5.668 13.480 6.566 1.00 0.00 C ATOM 812 O LYS A 54 -5.853 14.639 6.941 1.00 0.00 O ATOM 813 CB LYS A 54 -7.318 11.599 6.491 1.00 0.00 C ATOM 814 CG LYS A 54 -8.271 12.040 7.592 1.00 0.00 C ATOM 815 CD LYS A 54 -9.721 11.765 7.221 1.00 0.00 C ATOM 816 CE LYS A 54 -10.583 11.573 8.456 1.00 0.00 C ATOM 817 NZ LYS A 54 -10.896 12.869 9.121 1.00 0.00 N ATOM 0 H LYS A 54 -5.970 11.273 4.431 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.493 13.472 5.456 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.852 10.948 5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.516 11.007 6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.026 11.518 8.517 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.139 13.105 7.783 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.110 12.594 6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.775 10.874 6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.511 11.074 8.177 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.069 10.919 9.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.486 12.695 9.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.011 13.333 9.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.409 13.484 8.458 1.00 0.00 H new ATOM 831 N ALA A 55 -4.577 12.787 6.871 1.00 0.00 N ATOM 832 CA ALA A 55 -3.509 13.361 7.682 1.00 0.00 C ATOM 833 C ALA A 55 -2.704 14.384 6.888 1.00 0.00 C ATOM 834 O ALA A 55 -3.074 14.652 5.725 1.00 0.00 O ATOM 835 CB ALA A 55 -2.597 12.262 8.207 1.00 0.00 C ATOM 836 OXT ALA A 55 -1.711 14.908 7.434 1.00 0.00 O ATOM 0 H ALA A 55 -4.408 11.827 6.569 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.966 13.875 8.528 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.804 12.704 8.811 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.176 11.570 8.819 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.156 11.723 7.368 1.00 0.00 H new TER 842 ALA A 55