USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 435 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 145:sc= -0.0214 (180deg=-0.494) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.101 K(o=-0.1,f=-2.2!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -128:sc= -0.52 (180deg=-5.45!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 174:sc= -0.93 USER MOD Single : A 46 SER OG : rot -32:sc= 1.25 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.125 USER MOD Single : A 55 ASN : amide:sc= -0.806 K(o=-0.81,f=-4.1!) USER MOD Single : A 56 THR OG1 : rot -140:sc= -2.99! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -2.4! C(o=-2.4!,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 -12.091 4.184 -1.072 1.00 0.00 N ATOM 19 CA LYS A 2 -12.294 2.952 -0.329 1.00 0.00 C ATOM 20 C LYS A 2 -11.334 1.882 -0.853 1.00 0.00 C ATOM 21 O LYS A 2 -11.303 1.603 -2.051 1.00 0.00 O ATOM 22 CB LYS A 2 -13.765 2.535 -0.376 1.00 0.00 C ATOM 23 CG LYS A 2 -14.003 1.271 0.453 1.00 0.00 C ATOM 24 CD LYS A 2 -15.490 1.094 0.769 1.00 0.00 C ATOM 25 CE LYS A 2 -16.264 0.644 -0.471 1.00 0.00 C ATOM 26 NZ LYS A 2 -17.693 0.440 -0.144 1.00 0.00 N ATOM 0 HA LYS A 2 -12.062 3.100 0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.389 3.345 0.002 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.064 2.358 -1.409 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.637 0.400 -0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.435 1.328 1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.611 0.359 1.565 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.901 2.034 1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.168 1.392 -1.258 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.837 -0.282 -0.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.204 0.135 -0.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.780 -0.290 0.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.100 1.332 0.203 1.00 0.00 H new ATOM 39 N CYS A 3 -10.575 1.311 0.070 1.00 0.00 N ATOM 40 CA CYS A 3 -9.617 0.277 -0.283 1.00 0.00 C ATOM 41 C CYS A 3 -9.878 -0.943 0.602 1.00 0.00 C ATOM 42 O CYS A 3 -10.841 -0.965 1.366 1.00 0.00 O ATOM 43 CB CYS A 3 -8.175 0.775 -0.158 1.00 0.00 C ATOM 44 SG CYS A 3 -7.545 1.674 -1.622 1.00 0.00 S ATOM 0 H CYS A 3 -10.604 1.545 1.062 1.00 0.00 H new ATOM 0 HA CYS A 3 -9.747 -0.000 -1.329 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -8.105 1.430 0.711 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.526 -0.079 0.034 1.00 0.00 H new ATOM 49 N LYS A 4 -9.002 -1.928 0.470 1.00 0.00 N ATOM 50 CA LYS A 4 -9.125 -3.149 1.249 1.00 0.00 C ATOM 51 C LYS A 4 -8.200 -3.068 2.465 1.00 0.00 C ATOM 52 O LYS A 4 -7.167 -2.402 2.421 1.00 0.00 O ATOM 53 CB LYS A 4 -8.876 -4.374 0.367 1.00 0.00 C ATOM 54 CG LYS A 4 -10.079 -4.652 -0.537 1.00 0.00 C ATOM 55 CD LYS A 4 -10.154 -6.134 -0.909 1.00 0.00 C ATOM 56 CE LYS A 4 -10.443 -6.311 -2.401 1.00 0.00 C ATOM 57 NZ LYS A 4 -11.113 -7.607 -2.650 1.00 0.00 N ATOM 0 H LYS A 4 -8.204 -1.906 -0.165 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.141 -3.259 1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.987 -4.213 -0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.679 -5.244 0.994 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.996 -4.354 -0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.005 -4.049 -1.442 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.214 -6.624 -0.656 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.934 -6.621 -0.324 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.074 -5.495 -2.754 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.512 -6.262 -2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.302 -7.710 -3.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.498 -8.383 -2.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.011 -7.640 -2.126 1.00 0.00 H new ATOM 70 N LYS A 5 -8.605 -3.756 3.523 1.00 0.00 N ATOM 71 CA LYS A 5 -7.826 -3.771 4.749 1.00 0.00 C ATOM 72 C LYS A 5 -6.809 -4.913 4.688 1.00 0.00 C ATOM 73 O LYS A 5 -6.631 -5.535 3.642 1.00 0.00 O ATOM 74 CB LYS A 5 -8.747 -3.833 5.969 1.00 0.00 C ATOM 75 CG LYS A 5 -9.290 -2.445 6.316 1.00 0.00 C ATOM 76 CD LYS A 5 -9.914 -2.435 7.714 1.00 0.00 C ATOM 77 CE LYS A 5 -9.063 -1.617 8.687 1.00 0.00 C ATOM 78 NZ LYS A 5 -9.915 -0.694 9.471 1.00 0.00 N ATOM 0 H LYS A 5 -9.463 -4.307 3.556 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.261 -2.845 4.852 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.576 -4.512 5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.201 -4.238 6.821 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.484 -1.713 6.268 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.036 -2.147 5.579 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.920 -2.017 7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.011 -3.457 8.080 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.526 -2.285 9.360 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.313 -1.050 8.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.533 -0.603 10.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.928 0.240 9.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.884 -1.070 9.517 1.00 0.00 H new ATOM 91 N LEU A 6 -6.169 -5.153 5.823 1.00 0.00 N ATOM 92 CA LEU A 6 -5.174 -6.209 5.912 1.00 0.00 C ATOM 93 C LEU A 6 -5.656 -7.426 5.119 1.00 0.00 C ATOM 94 O LEU A 6 -5.142 -7.711 4.039 1.00 0.00 O ATOM 95 CB LEU A 6 -4.849 -6.517 7.375 1.00 0.00 C ATOM 96 CG LEU A 6 -3.702 -5.714 7.991 1.00 0.00 C ATOM 97 CD1 LEU A 6 -4.173 -4.320 8.411 1.00 0.00 C ATOM 98 CD2 LEU A 6 -3.060 -6.477 9.151 1.00 0.00 C ATOM 0 H LEU A 6 -6.320 -4.635 6.688 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.235 -5.887 5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.746 -6.346 7.970 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.609 -7.577 7.458 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.933 -5.578 7.231 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.339 -3.770 8.846 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.546 -3.784 7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.970 -4.412 9.148 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.248 -5.884 9.571 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.808 -6.665 9.921 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.666 -7.427 8.788 1.00 0.00 H new ATOM 108 N VAL A 7 -6.639 -8.110 5.687 1.00 0.00 N ATOM 109 CA VAL A 7 -7.196 -9.290 5.047 1.00 0.00 C ATOM 110 C VAL A 7 -8.290 -8.863 4.066 1.00 0.00 C ATOM 111 O VAL A 7 -9.056 -7.943 4.347 1.00 0.00 O ATOM 112 CB VAL A 7 -7.694 -10.274 6.107 1.00 0.00 C ATOM 113 CG1 VAL A 7 -8.364 -11.487 5.457 1.00 0.00 C ATOM 114 CG2 VAL A 7 -6.554 -10.707 7.031 1.00 0.00 C ATOM 0 H VAL A 7 -7.064 -7.870 6.583 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.430 -9.812 4.473 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.442 -9.763 6.714 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.709 -12.171 6.232 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.214 -11.157 4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.647 -11.998 4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.935 -11.406 7.775 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.774 -11.191 6.444 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.140 -9.832 7.533 1.00 0.00 H new ATOM 122 N PRO A 8 -8.330 -9.571 2.905 1.00 0.00 N ATOM 123 CA PRO A 8 -9.317 -9.276 1.882 1.00 0.00 C ATOM 124 C PRO A 8 -10.698 -9.795 2.286 1.00 0.00 C ATOM 125 O PRO A 8 -11.329 -10.540 1.537 1.00 0.00 O ATOM 126 CB PRO A 8 -8.783 -9.931 0.618 1.00 0.00 C ATOM 127 CG PRO A 8 -7.760 -10.956 1.081 1.00 0.00 C ATOM 128 CD PRO A 8 -7.438 -10.668 2.539 1.00 0.00 C ATOM 0 HA PRO A 8 -9.458 -8.206 1.731 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.586 -10.407 0.055 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.326 -9.193 -0.041 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.154 -11.966 0.970 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.858 -10.897 0.472 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.611 -11.544 3.164 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.392 -10.388 2.666 1.00 0.00 H new ATOM 136 N LEU A 9 -11.128 -9.382 3.469 1.00 0.00 N ATOM 137 CA LEU A 9 -12.423 -9.796 3.982 1.00 0.00 C ATOM 138 C LEU A 9 -13.322 -8.568 4.136 1.00 0.00 C ATOM 139 O LEU A 9 -14.529 -8.646 3.912 1.00 0.00 O ATOM 140 CB LEU A 9 -12.255 -10.601 5.272 1.00 0.00 C ATOM 141 CG LEU A 9 -11.898 -12.079 5.098 1.00 0.00 C ATOM 142 CD1 LEU A 9 -11.423 -12.687 6.420 1.00 0.00 C ATOM 143 CD2 LEU A 9 -13.067 -12.859 4.495 1.00 0.00 C ATOM 0 H LEU A 9 -10.602 -8.764 4.088 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.916 -10.466 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.478 -10.128 5.873 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.182 -10.536 5.841 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.068 -12.150 4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.176 -13.738 6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.540 -12.153 6.770 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.215 -12.604 7.164 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.786 -13.906 4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.932 -12.784 5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.317 -12.443 3.519 1.00 0.00 H new ATOM 153 N PHE A 10 -12.699 -7.462 4.518 1.00 0.00 N ATOM 154 CA PHE A 10 -13.429 -6.219 4.704 1.00 0.00 C ATOM 155 C PHE A 10 -12.664 -5.039 4.102 1.00 0.00 C ATOM 156 O PHE A 10 -11.456 -5.123 3.885 1.00 0.00 O ATOM 157 CB PHE A 10 -13.568 -6.005 6.213 1.00 0.00 C ATOM 158 CG PHE A 10 -13.925 -7.272 6.991 1.00 0.00 C ATOM 159 CD1 PHE A 10 -12.950 -8.156 7.337 1.00 0.00 C ATOM 160 CD2 PHE A 10 -15.217 -7.516 7.338 1.00 0.00 C ATOM 161 CE1 PHE A 10 -13.282 -9.332 8.059 1.00 0.00 C ATOM 162 CE2 PHE A 10 -15.549 -8.692 8.061 1.00 0.00 C ATOM 163 CZ PHE A 10 -14.574 -9.576 8.406 1.00 0.00 C ATOM 0 H PHE A 10 -11.698 -7.401 4.704 1.00 0.00 H new ATOM 0 HA PHE A 10 -14.399 -6.279 4.210 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -12.631 -5.605 6.601 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -14.335 -5.252 6.394 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -11.924 -7.963 7.062 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -15.991 -6.815 7.063 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -12.508 -10.034 8.333 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -16.575 -8.885 8.337 1.00 0.00 H new ATOM 0 HZ PHE A 10 -14.826 -10.471 8.955 1.00 0.00 H new ATOM 173 N SER A 11 -13.399 -3.966 3.848 1.00 0.00 N ATOM 174 CA SER A 11 -12.805 -2.771 3.275 1.00 0.00 C ATOM 175 C SER A 11 -13.079 -1.566 4.177 1.00 0.00 C ATOM 176 O SER A 11 -14.060 -1.553 4.920 1.00 0.00 O ATOM 177 CB SER A 11 -13.340 -2.511 1.866 1.00 0.00 C ATOM 178 OG SER A 11 -14.759 -2.625 1.804 1.00 0.00 O ATOM 0 H SER A 11 -14.401 -3.900 4.029 1.00 0.00 H new ATOM 0 HA SER A 11 -11.728 -2.926 3.203 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.042 -1.513 1.544 1.00 0.00 H new ATOM 0 HB3 SER A 11 -12.889 -3.219 1.171 1.00 0.00 H new ATOM 0 HG SER A 11 -15.062 -2.450 0.888 1.00 0.00 H new ATOM 184 N LYS A 12 -12.197 -0.582 4.082 1.00 0.00 N ATOM 185 CA LYS A 12 -12.332 0.624 4.880 1.00 0.00 C ATOM 186 C LYS A 12 -11.979 1.841 4.022 1.00 0.00 C ATOM 187 O LYS A 12 -11.176 1.739 3.096 1.00 0.00 O ATOM 188 CB LYS A 12 -11.503 0.515 6.162 1.00 0.00 C ATOM 189 CG LYS A 12 -12.228 1.167 7.341 1.00 0.00 C ATOM 190 CD LYS A 12 -13.351 0.267 7.859 1.00 0.00 C ATOM 191 CE LYS A 12 -14.010 0.872 9.101 1.00 0.00 C ATOM 192 NZ LYS A 12 -14.961 1.938 8.715 1.00 0.00 N ATOM 0 H LYS A 12 -11.386 -0.596 3.464 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.365 0.751 5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.308 -0.534 6.385 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.535 0.995 6.015 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.518 1.367 8.143 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.640 2.128 7.033 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.099 0.126 7.078 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.951 -0.718 8.099 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.533 0.094 9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.246 1.280 9.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.399 2.338 9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.453 2.687 8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.700 1.539 8.101 1.00 0.00 H new ATOM 205 N THR A 13 -12.597 2.963 4.360 1.00 0.00 N ATOM 206 CA THR A 13 -12.358 4.197 3.632 1.00 0.00 C ATOM 207 C THR A 13 -11.212 4.982 4.274 1.00 0.00 C ATOM 208 O THR A 13 -11.060 4.979 5.494 1.00 0.00 O ATOM 209 CB THR A 13 -13.673 4.977 3.579 1.00 0.00 C ATOM 210 OG1 THR A 13 -14.422 4.326 2.556 1.00 0.00 O ATOM 211 CG2 THR A 13 -13.488 6.403 3.056 1.00 0.00 C ATOM 0 H THR A 13 -13.263 3.043 5.128 1.00 0.00 H new ATOM 0 HA THR A 13 -12.040 3.997 2.609 1.00 0.00 H new ATOM 0 HB THR A 13 -14.115 5.011 4.575 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.291 4.767 2.456 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.452 6.912 3.039 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.803 6.944 3.709 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.077 6.370 2.047 1.00 0.00 H new ATOM 218 N CYS A 14 -10.435 5.635 3.422 1.00 0.00 N ATOM 219 CA CYS A 14 -9.307 6.422 3.891 1.00 0.00 C ATOM 220 C CYS A 14 -9.783 7.860 4.111 1.00 0.00 C ATOM 221 O CYS A 14 -10.225 8.521 3.174 1.00 0.00 O ATOM 222 CB CYS A 14 -8.127 6.355 2.919 1.00 0.00 C ATOM 223 SG CYS A 14 -7.851 4.712 2.161 1.00 0.00 S ATOM 0 H CYS A 14 -10.564 5.635 2.410 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.941 6.012 4.833 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.287 7.084 2.125 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.221 6.653 3.448 1.00 0.00 H new ATOM 228 N PRO A 15 -9.674 8.312 5.389 1.00 0.00 N ATOM 229 CA PRO A 15 -10.088 9.658 5.745 1.00 0.00 C ATOM 230 C PRO A 15 -9.071 10.692 5.255 1.00 0.00 C ATOM 231 O PRO A 15 -7.974 10.335 4.828 1.00 0.00 O ATOM 232 CB PRO A 15 -10.233 9.638 7.258 1.00 0.00 C ATOM 233 CG PRO A 15 -9.452 8.426 7.736 1.00 0.00 C ATOM 234 CD PRO A 15 -9.155 7.556 6.525 1.00 0.00 C ATOM 0 HA PRO A 15 -11.026 9.948 5.272 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.841 10.554 7.700 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.281 9.567 7.549 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.526 8.735 8.220 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -10.027 7.868 8.475 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.086 7.372 6.423 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.640 6.583 6.608 1.00 0.00 H new ATOM 242 N ALA A 16 -9.472 11.952 5.334 1.00 0.00 N ATOM 243 CA ALA A 16 -8.610 13.040 4.905 1.00 0.00 C ATOM 244 C ALA A 16 -7.183 12.775 5.389 1.00 0.00 C ATOM 245 O ALA A 16 -6.976 12.026 6.342 1.00 0.00 O ATOM 246 CB ALA A 16 -9.165 14.367 5.424 1.00 0.00 C ATOM 0 H ALA A 16 -10.383 12.244 5.689 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.583 13.102 3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.518 15.183 5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.169 14.522 5.028 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.205 14.344 6.513 1.00 0.00 H new ATOM 251 N GLY A 17 -6.235 13.405 4.709 1.00 0.00 N ATOM 252 CA GLY A 17 -4.833 13.247 5.058 1.00 0.00 C ATOM 253 C GLY A 17 -4.228 12.028 4.358 1.00 0.00 C ATOM 254 O GLY A 17 -3.146 12.115 3.779 1.00 0.00 O ATOM 0 H GLY A 17 -6.411 14.025 3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.281 14.144 4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.733 13.137 6.138 1.00 0.00 H new ATOM 258 N LYS A 18 -4.953 10.922 4.434 1.00 0.00 N ATOM 259 CA LYS A 18 -4.501 9.687 3.815 1.00 0.00 C ATOM 260 C LYS A 18 -5.414 9.350 2.635 1.00 0.00 C ATOM 261 O LYS A 18 -6.413 8.650 2.799 1.00 0.00 O ATOM 262 CB LYS A 18 -4.402 8.570 4.856 1.00 0.00 C ATOM 263 CG LYS A 18 -5.463 8.741 5.945 1.00 0.00 C ATOM 264 CD LYS A 18 -5.364 7.625 6.987 1.00 0.00 C ATOM 265 CE LYS A 18 -5.401 8.194 8.406 1.00 0.00 C ATOM 266 NZ LYS A 18 -4.035 8.539 8.862 1.00 0.00 N ATOM 0 H LYS A 18 -5.850 10.855 4.915 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.494 9.807 3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.527 7.603 4.370 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.409 8.574 5.306 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.338 9.709 6.431 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.456 8.736 5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.186 6.923 6.852 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.440 7.066 6.840 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.034 9.081 8.432 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.844 7.465 9.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.078 8.924 9.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.441 7.685 8.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.625 9.250 8.224 1.00 0.00 H new ATOM 279 N ASN A 19 -5.040 9.862 1.472 1.00 0.00 N ATOM 280 CA ASN A 19 -5.813 9.624 0.265 1.00 0.00 C ATOM 281 C ASN A 19 -5.042 8.669 -0.649 1.00 0.00 C ATOM 282 O ASN A 19 -5.403 8.489 -1.811 1.00 0.00 O ATOM 283 CB ASN A 19 -6.050 10.925 -0.503 1.00 0.00 C ATOM 284 CG ASN A 19 -7.286 11.656 0.024 1.00 0.00 C ATOM 285 OD1 ASN A 19 -8.031 11.154 0.849 1.00 0.00 O ATOM 286 ND2 ASN A 19 -7.462 12.867 -0.498 1.00 0.00 N ATOM 0 H ASN A 19 -4.211 10.441 1.340 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.773 9.198 0.558 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.176 11.570 -0.412 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.177 10.707 -1.564 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.259 13.435 -0.211 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.800 13.227 -1.185 1.00 0.00 H new ATOM 293 N LEU A 20 -3.995 8.082 -0.089 1.00 0.00 N ATOM 294 CA LEU A 20 -3.170 7.149 -0.839 1.00 0.00 C ATOM 295 C LEU A 20 -3.249 5.767 -0.187 1.00 0.00 C ATOM 296 O LEU A 20 -3.071 5.637 1.023 1.00 0.00 O ATOM 297 CB LEU A 20 -1.743 7.685 -0.974 1.00 0.00 C ATOM 298 CG LEU A 20 -1.591 9.002 -1.739 1.00 0.00 C ATOM 299 CD1 LEU A 20 -0.204 9.607 -1.517 1.00 0.00 C ATOM 300 CD2 LEU A 20 -1.902 8.812 -3.225 1.00 0.00 C ATOM 0 H LEU A 20 -3.699 8.234 0.875 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.544 7.043 -1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.330 7.819 0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.137 6.927 -1.470 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.319 9.712 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.122 10.542 -2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.058 9.801 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.557 8.910 -1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.787 9.763 -3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.215 8.080 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.926 8.458 -3.340 1.00 0.00 H new ATOM 310 N CYS A 21 -3.515 4.771 -1.019 1.00 0.00 N ATOM 311 CA CYS A 21 -3.619 3.403 -0.538 1.00 0.00 C ATOM 312 C CYS A 21 -2.270 2.714 -0.754 1.00 0.00 C ATOM 313 O CYS A 21 -1.719 2.750 -1.853 1.00 0.00 O ATOM 314 CB CYS A 21 -4.761 2.649 -1.223 1.00 0.00 C ATOM 315 SG CYS A 21 -6.437 3.258 -0.814 1.00 0.00 S ATOM 0 H CYS A 21 -3.662 4.883 -2.022 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.858 3.405 0.525 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.621 2.709 -2.302 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.696 1.595 -0.951 1.00 0.00 H new ATOM 320 N TYR A 22 -1.776 2.104 0.314 1.00 0.00 N ATOM 321 CA TYR A 22 -0.502 1.408 0.255 1.00 0.00 C ATOM 322 C TYR A 22 -0.636 -0.025 0.775 1.00 0.00 C ATOM 323 O TYR A 22 -1.565 -0.336 1.519 1.00 0.00 O ATOM 324 CB TYR A 22 0.445 2.184 1.173 1.00 0.00 C ATOM 325 CG TYR A 22 0.327 1.806 2.651 1.00 0.00 C ATOM 326 CD1 TYR A 22 0.874 0.624 3.107 1.00 0.00 C ATOM 327 CD2 TYR A 22 -0.327 2.648 3.528 1.00 0.00 C ATOM 328 CE1 TYR A 22 0.763 0.269 4.498 1.00 0.00 C ATOM 329 CE2 TYR A 22 -0.438 2.293 4.919 1.00 0.00 C ATOM 330 CZ TYR A 22 0.112 1.121 5.336 1.00 0.00 C ATOM 331 OH TYR A 22 0.008 0.786 6.650 1.00 0.00 O ATOM 0 H TYR A 22 -2.235 2.078 1.224 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.140 1.356 -0.772 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.471 2.015 0.846 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.247 3.250 1.064 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.385 -0.035 2.421 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.755 3.573 3.171 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.187 -0.653 4.868 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.947 2.943 5.616 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.481 1.488 7.129 1.00 0.00 H new ATOM 341 N LYS A 23 0.306 -0.861 0.361 1.00 0.00 N ATOM 342 CA LYS A 23 0.305 -2.254 0.775 1.00 0.00 C ATOM 343 C LYS A 23 1.748 -2.730 0.951 1.00 0.00 C ATOM 344 O LYS A 23 2.608 -2.433 0.124 1.00 0.00 O ATOM 345 CB LYS A 23 -0.508 -3.103 -0.204 1.00 0.00 C ATOM 346 CG LYS A 23 0.140 -3.114 -1.590 1.00 0.00 C ATOM 347 CD LYS A 23 -0.120 -4.440 -2.306 1.00 0.00 C ATOM 348 CE LYS A 23 0.682 -4.528 -3.606 1.00 0.00 C ATOM 349 NZ LYS A 23 -0.208 -4.847 -4.745 1.00 0.00 N ATOM 0 H LYS A 23 1.075 -0.600 -0.257 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.187 -2.364 1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.587 -4.123 0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.522 -2.710 -0.276 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.254 -2.291 -2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.214 -2.953 -1.495 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.149 -5.269 -1.652 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.184 -4.537 -2.523 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.192 -3.583 -3.790 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.452 -5.294 -3.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.353 -4.903 -5.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.676 -5.760 -4.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.927 -4.102 -4.843 1.00 0.00 H new ATOM 362 N MET A 24 1.968 -3.461 2.033 1.00 0.00 N ATOM 363 CA MET A 24 3.293 -3.982 2.328 1.00 0.00 C ATOM 364 C MET A 24 3.318 -5.508 2.222 1.00 0.00 C ATOM 365 O MET A 24 2.494 -6.190 2.830 1.00 0.00 O ATOM 366 CB MET A 24 3.704 -3.561 3.740 1.00 0.00 C ATOM 367 CG MET A 24 3.832 -2.039 3.843 1.00 0.00 C ATOM 368 SD MET A 24 4.320 -1.579 5.497 1.00 0.00 S ATOM 369 CE MET A 24 3.883 0.152 5.478 1.00 0.00 C ATOM 0 H MET A 24 1.252 -3.705 2.717 1.00 0.00 H new ATOM 0 HA MET A 24 3.994 -3.575 1.599 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.966 -3.917 4.459 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.654 -4.028 4.001 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.568 -1.678 3.124 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.882 -1.568 3.591 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.738 0.747 5.801 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.598 0.444 4.467 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.046 0.323 6.155 1.00 0.00 H new ATOM 378 N PHE A 25 4.272 -6.000 1.445 1.00 0.00 N ATOM 379 CA PHE A 25 4.416 -7.432 1.252 1.00 0.00 C ATOM 380 C PHE A 25 5.891 -7.837 1.223 1.00 0.00 C ATOM 381 O PHE A 25 6.773 -6.980 1.190 1.00 0.00 O ATOM 382 CB PHE A 25 3.781 -7.767 -0.099 1.00 0.00 C ATOM 383 CG PHE A 25 4.630 -7.359 -1.304 1.00 0.00 C ATOM 384 CD1 PHE A 25 4.735 -6.048 -1.650 1.00 0.00 C ATOM 385 CD2 PHE A 25 5.280 -8.308 -2.030 1.00 0.00 C ATOM 386 CE1 PHE A 25 5.524 -5.670 -2.768 1.00 0.00 C ATOM 387 CE2 PHE A 25 6.069 -7.929 -3.149 1.00 0.00 C ATOM 388 CZ PHE A 25 6.174 -6.618 -3.494 1.00 0.00 C ATOM 0 H PHE A 25 4.953 -5.431 0.942 1.00 0.00 H new ATOM 0 HA PHE A 25 3.937 -7.967 2.072 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.595 -8.840 -0.145 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.812 -7.272 -0.166 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.218 -5.294 -1.074 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.196 -9.349 -1.756 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.608 -4.629 -3.042 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.585 -8.682 -3.726 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.774 -6.330 -4.345 1.00 0.00 H new ATOM 398 N MET A 26 6.114 -9.143 1.236 1.00 0.00 N ATOM 399 CA MET A 26 7.467 -9.671 1.212 1.00 0.00 C ATOM 400 C MET A 26 7.880 -10.055 -0.210 1.00 0.00 C ATOM 401 O MET A 26 7.039 -10.432 -1.025 1.00 0.00 O ATOM 402 CB MET A 26 7.552 -10.901 2.118 1.00 0.00 C ATOM 403 CG MET A 26 7.335 -10.518 3.583 1.00 0.00 C ATOM 404 SD MET A 26 8.221 -11.646 4.646 1.00 0.00 S ATOM 405 CE MET A 26 7.332 -11.396 6.174 1.00 0.00 C ATOM 0 H MET A 26 5.380 -9.851 1.263 1.00 0.00 H new ATOM 0 HA MET A 26 8.145 -8.897 1.571 1.00 0.00 H new ATOM 0 HB2 MET A 26 6.803 -11.633 1.815 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.527 -11.375 2.003 1.00 0.00 H new ATOM 0 HG2 MET A 26 7.678 -9.498 3.755 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.271 -10.541 3.820 1.00 0.00 H new ATOM 0 HE1 MET A 26 7.759 -12.030 6.951 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.411 -10.351 6.474 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.283 -11.654 6.031 1.00 0.00 H new ATOM 414 N VAL A 27 9.176 -9.946 -0.466 1.00 0.00 N ATOM 415 CA VAL A 27 9.711 -10.277 -1.776 1.00 0.00 C ATOM 416 C VAL A 27 9.383 -11.736 -2.102 1.00 0.00 C ATOM 417 O VAL A 27 9.492 -12.158 -3.252 1.00 0.00 O ATOM 418 CB VAL A 27 11.211 -9.977 -1.820 1.00 0.00 C ATOM 419 CG1 VAL A 27 11.986 -10.922 -0.899 1.00 0.00 C ATOM 420 CG2 VAL A 27 11.742 -10.049 -3.252 1.00 0.00 C ATOM 0 H VAL A 27 9.871 -9.633 0.212 1.00 0.00 H new ATOM 0 HA VAL A 27 9.247 -9.660 -2.545 1.00 0.00 H new ATOM 0 HB VAL A 27 11.360 -8.960 -1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.049 -10.688 -0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.635 -10.800 0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.826 -11.952 -1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.810 -9.832 -3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.574 -11.049 -3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.221 -9.318 -3.870 1.00 0.00 H new ATOM 428 N ALA A 28 8.987 -12.465 -1.069 1.00 0.00 N ATOM 429 CA ALA A 28 8.643 -13.867 -1.231 1.00 0.00 C ATOM 430 C ALA A 28 7.945 -14.064 -2.579 1.00 0.00 C ATOM 431 O ALA A 28 8.227 -15.025 -3.293 1.00 0.00 O ATOM 432 CB ALA A 28 7.776 -14.320 -0.054 1.00 0.00 C ATOM 0 H ALA A 28 8.897 -12.111 -0.117 1.00 0.00 H new ATOM 0 HA ALA A 28 9.541 -14.485 -1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.518 -15.372 -0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.328 -14.187 0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.864 -13.724 -0.023 1.00 0.00 H new ATOM 437 N ALA A 29 7.048 -13.138 -2.885 1.00 0.00 N ATOM 438 CA ALA A 29 6.308 -13.198 -4.134 1.00 0.00 C ATOM 439 C ALA A 29 5.796 -11.800 -4.486 1.00 0.00 C ATOM 440 O ALA A 29 5.507 -10.999 -3.598 1.00 0.00 O ATOM 441 CB ALA A 29 5.175 -14.219 -4.008 1.00 0.00 C ATOM 0 H ALA A 29 6.817 -12.342 -2.290 1.00 0.00 H new ATOM 0 HA ALA A 29 6.955 -13.527 -4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.620 -14.264 -4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.593 -15.201 -3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.504 -13.920 -3.203 1.00 0.00 H new ATOM 446 N PRO A 30 5.697 -11.542 -5.817 1.00 0.00 N ATOM 447 CA PRO A 30 5.225 -10.254 -6.297 1.00 0.00 C ATOM 448 C PRO A 30 3.710 -10.126 -6.125 1.00 0.00 C ATOM 449 O PRO A 30 3.124 -9.106 -6.484 1.00 0.00 O ATOM 450 CB PRO A 30 5.664 -10.191 -7.751 1.00 0.00 C ATOM 451 CG PRO A 30 5.954 -11.626 -8.162 1.00 0.00 C ATOM 452 CD PRO A 30 6.030 -12.466 -6.897 1.00 0.00 C ATOM 0 HA PRO A 30 5.639 -9.418 -5.733 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.884 -9.756 -8.376 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.549 -9.566 -7.865 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.171 -12.000 -8.822 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.892 -11.683 -8.715 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.330 -13.301 -6.934 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.025 -12.890 -6.763 1.00 0.00 H new ATOM 460 N HIS A 31 3.118 -11.177 -5.575 1.00 0.00 N ATOM 461 CA HIS A 31 1.683 -11.195 -5.351 1.00 0.00 C ATOM 462 C HIS A 31 1.375 -11.963 -4.064 1.00 0.00 C ATOM 463 O HIS A 31 0.715 -13.000 -4.098 1.00 0.00 O ATOM 464 CB HIS A 31 0.949 -11.760 -6.568 1.00 0.00 C ATOM 465 CG HIS A 31 -0.462 -11.248 -6.728 1.00 0.00 C ATOM 466 ND1 HIS A 31 -0.749 -9.953 -7.123 1.00 0.00 N ATOM 467 CD2 HIS A 31 -1.662 -11.869 -6.542 1.00 0.00 C ATOM 468 CE1 HIS A 31 -2.066 -9.812 -7.169 1.00 0.00 C ATOM 469 NE2 HIS A 31 -2.630 -11.001 -6.808 1.00 0.00 N ATOM 0 H HIS A 31 3.607 -12.022 -5.278 1.00 0.00 H new ATOM 0 HA HIS A 31 1.319 -10.176 -5.222 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.516 -11.517 -7.466 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.923 -12.847 -6.491 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.801 -12.894 -6.231 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -2.599 -8.914 -7.444 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -3.631 -11.191 -6.752 1.00 0.00 H new ATOM 477 N VAL A 32 1.866 -11.423 -2.958 1.00 0.00 N ATOM 478 CA VAL A 32 1.652 -12.044 -1.662 1.00 0.00 C ATOM 479 C VAL A 32 1.829 -10.995 -0.563 1.00 0.00 C ATOM 480 O VAL A 32 2.889 -10.911 0.055 1.00 0.00 O ATOM 481 CB VAL A 32 2.584 -13.246 -1.497 1.00 0.00 C ATOM 482 CG1 VAL A 32 2.579 -13.749 -0.052 1.00 0.00 C ATOM 483 CG2 VAL A 32 2.209 -14.367 -2.469 1.00 0.00 C ATOM 0 H VAL A 32 2.412 -10.562 -2.933 1.00 0.00 H new ATOM 0 HA VAL A 32 0.634 -12.426 -1.585 1.00 0.00 H new ATOM 0 HB VAL A 32 3.597 -12.921 -1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.249 -14.604 0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.915 -12.952 0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.569 -14.050 0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.887 -15.210 -2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.186 -14.689 -2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.287 -14.002 -3.493 1.00 0.00 H new ATOM 491 N PRO A 33 0.747 -10.201 -0.346 1.00 0.00 N ATOM 492 CA PRO A 33 0.773 -9.160 0.668 1.00 0.00 C ATOM 493 C PRO A 33 0.657 -9.759 2.071 1.00 0.00 C ATOM 494 O PRO A 33 0.129 -10.858 2.239 1.00 0.00 O ATOM 495 CB PRO A 33 -0.385 -8.240 0.318 1.00 0.00 C ATOM 496 CG PRO A 33 -1.296 -9.045 -0.595 1.00 0.00 C ATOM 497 CD PRO A 33 -0.526 -10.271 -1.058 1.00 0.00 C ATOM 0 HA PRO A 33 1.713 -8.608 0.680 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.915 -7.921 1.215 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.030 -7.338 -0.181 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.202 -9.341 -0.066 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.607 -8.444 -1.450 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.063 -11.189 -0.819 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.377 -10.260 -2.138 1.00 0.00 H new ATOM 505 N VAL A 34 1.159 -9.011 3.042 1.00 0.00 N ATOM 506 CA VAL A 34 1.119 -9.455 4.425 1.00 0.00 C ATOM 507 C VAL A 34 0.178 -8.548 5.220 1.00 0.00 C ATOM 508 O VAL A 34 -0.478 -8.997 6.159 1.00 0.00 O ATOM 509 CB VAL A 34 2.535 -9.499 5.002 1.00 0.00 C ATOM 510 CG1 VAL A 34 3.096 -8.087 5.186 1.00 0.00 C ATOM 511 CG2 VAL A 34 2.567 -10.278 6.319 1.00 0.00 C ATOM 0 H VAL A 34 1.596 -8.100 2.899 1.00 0.00 H new ATOM 0 HA VAL A 34 0.725 -10.469 4.489 1.00 0.00 H new ATOM 0 HB VAL A 34 3.171 -10.022 4.288 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.104 -8.147 5.597 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.127 -7.579 4.222 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.457 -7.528 5.870 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.585 -10.294 6.708 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.910 -9.796 7.043 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.229 -11.300 6.146 1.00 0.00 H new ATOM 519 N LYS A 35 0.140 -7.287 4.815 1.00 0.00 N ATOM 520 CA LYS A 35 -0.710 -6.312 5.477 1.00 0.00 C ATOM 521 C LYS A 35 -0.951 -5.130 4.537 1.00 0.00 C ATOM 522 O LYS A 35 -0.194 -4.919 3.591 1.00 0.00 O ATOM 523 CB LYS A 35 -0.114 -5.912 6.828 1.00 0.00 C ATOM 524 CG LYS A 35 1.155 -5.077 6.642 1.00 0.00 C ATOM 525 CD LYS A 35 1.778 -4.718 7.993 1.00 0.00 C ATOM 526 CE LYS A 35 2.959 -5.637 8.313 1.00 0.00 C ATOM 527 NZ LYS A 35 2.628 -6.531 9.445 1.00 0.00 N ATOM 0 H LYS A 35 0.685 -6.918 4.036 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.685 -6.746 5.700 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.848 -5.343 7.399 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.116 -6.806 7.407 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.875 -5.632 6.041 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.918 -4.166 6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.113 -3.681 7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.026 -4.800 8.778 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.214 -6.231 7.435 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.837 -5.039 8.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.440 -7.148 9.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.407 -5.960 10.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.804 -7.115 9.197 1.00 0.00 H new ATOM 540 N ARG A 36 -2.009 -4.361 4.803 1.00 0.00 N ATOM 541 CA ARG A 36 -2.346 -3.212 3.986 1.00 0.00 C ATOM 542 C ARG A 36 -2.976 -2.131 4.852 1.00 0.00 C ATOM 543 O ARG A 36 -3.318 -2.378 6.006 1.00 0.00 O ATOM 544 CB ARG A 36 -3.301 -3.641 2.876 1.00 0.00 C ATOM 545 CG ARG A 36 -2.600 -4.637 1.957 1.00 0.00 C ATOM 546 CD ARG A 36 -2.977 -6.058 2.365 1.00 0.00 C ATOM 547 NE ARG A 36 -4.060 -6.574 1.527 1.00 0.00 N ATOM 548 CZ ARG A 36 -4.328 -7.882 1.412 1.00 0.00 C ATOM 549 NH1 ARG A 36 -3.590 -8.779 2.081 1.00 0.00 N ATOM 550 NH2 ARG A 36 -5.334 -8.294 0.628 1.00 0.00 N ATOM 0 H ARG A 36 -2.645 -4.521 5.584 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.442 -2.805 3.532 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.195 -4.093 3.306 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.627 -2.771 2.306 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.887 -4.456 0.921 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.520 -4.505 2.016 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.106 -6.708 2.281 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.284 -6.071 3.411 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.635 -5.910 1.009 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.824 -8.466 2.678 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.794 -9.775 1.993 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.896 -7.612 0.119 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.538 -9.290 0.541 1.00 0.00 H new ATOM 564 N GLY A 37 -3.113 -0.951 4.264 1.00 0.00 N ATOM 565 CA GLY A 37 -3.699 0.174 4.973 1.00 0.00 C ATOM 566 C GLY A 37 -3.590 1.459 4.149 1.00 0.00 C ATOM 567 O GLY A 37 -3.056 1.446 3.041 1.00 0.00 O ATOM 0 H GLY A 37 -2.828 -0.750 3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.746 -0.035 5.191 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.195 0.308 5.930 1.00 0.00 H new ATOM 571 N CYS A 38 -4.103 2.537 4.723 1.00 0.00 N ATOM 572 CA CYS A 38 -4.070 3.827 4.055 1.00 0.00 C ATOM 573 C CYS A 38 -2.963 4.669 4.693 1.00 0.00 C ATOM 574 O CYS A 38 -2.551 4.407 5.822 1.00 0.00 O ATOM 575 CB CYS A 38 -5.427 4.530 4.115 1.00 0.00 C ATOM 576 SG CYS A 38 -6.807 3.601 3.353 1.00 0.00 S ATOM 0 H CYS A 38 -4.544 2.544 5.643 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.854 3.686 2.996 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.673 4.727 5.159 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.342 5.497 3.620 1.00 0.00 H new ATOM 581 N ILE A 39 -2.512 5.663 3.942 1.00 0.00 N ATOM 582 CA ILE A 39 -1.461 6.545 4.419 1.00 0.00 C ATOM 583 C ILE A 39 -1.398 7.786 3.527 1.00 0.00 C ATOM 584 O ILE A 39 -2.207 7.940 2.614 1.00 0.00 O ATOM 585 CB ILE A 39 -0.133 5.791 4.518 1.00 0.00 C ATOM 586 CG1 ILE A 39 0.713 6.320 5.678 1.00 0.00 C ATOM 587 CG2 ILE A 39 0.624 5.837 3.189 1.00 0.00 C ATOM 588 CD1 ILE A 39 1.342 5.170 6.467 1.00 0.00 C ATOM 0 H ILE A 39 -2.856 5.877 3.006 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.682 6.889 5.429 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.350 4.744 4.729 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.496 6.973 5.293 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.092 6.923 6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.564 5.294 3.287 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.018 5.376 2.409 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.830 6.874 2.923 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.938 5.574 7.286 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.555 4.533 6.871 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.982 4.583 5.808 1.00 0.00 H new ATOM 598 N ASP A 40 -0.434 8.668 3.797 1.00 0.00 N ATOM 599 CA ASP A 40 -0.271 9.884 3.025 1.00 0.00 C ATOM 600 C ASP A 40 0.969 9.776 2.149 1.00 0.00 C ATOM 601 O ASP A 40 0.918 10.076 0.959 1.00 0.00 O ATOM 602 CB ASP A 40 -0.162 11.076 3.971 1.00 0.00 C ATOM 603 CG ASP A 40 0.645 10.715 5.210 1.00 0.00 C ATOM 604 OD1 ASP A 40 1.424 9.742 5.116 1.00 0.00 O ATOM 605 OD2 ASP A 40 0.468 11.418 6.228 1.00 0.00 O ATOM 0 H ASP A 40 0.245 8.555 4.550 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.137 10.028 2.379 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.310 11.912 3.456 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.159 11.405 4.265 1.00 0.00 H new ATOM 611 N VAL A 41 2.058 9.344 2.770 1.00 0.00 N ATOM 612 CA VAL A 41 3.315 9.193 2.056 1.00 0.00 C ATOM 613 C VAL A 41 3.666 7.707 1.960 1.00 0.00 C ATOM 614 O VAL A 41 3.274 6.916 2.817 1.00 0.00 O ATOM 615 CB VAL A 41 4.406 10.022 2.736 1.00 0.00 C ATOM 616 CG1 VAL A 41 4.777 9.429 4.097 1.00 0.00 C ATOM 617 CG2 VAL A 41 5.639 10.147 1.838 1.00 0.00 C ATOM 0 H VAL A 41 2.096 9.094 3.758 1.00 0.00 H new ATOM 0 HA VAL A 41 3.224 9.572 1.038 1.00 0.00 H new ATOM 0 HB VAL A 41 4.010 11.024 2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.555 10.037 4.559 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.897 9.415 4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.144 8.412 3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.400 10.741 2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.036 9.155 1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.361 10.635 0.904 1.00 0.00 H new ATOM 625 N CYS A 42 4.400 7.372 0.909 1.00 0.00 N ATOM 626 CA CYS A 42 4.808 5.994 0.690 1.00 0.00 C ATOM 627 C CYS A 42 6.198 5.803 1.298 1.00 0.00 C ATOM 628 O CYS A 42 7.067 6.662 1.154 1.00 0.00 O ATOM 629 CB CYS A 42 4.779 5.625 -0.795 1.00 0.00 C ATOM 630 SG CYS A 42 4.404 3.868 -1.142 1.00 0.00 S ATOM 0 H CYS A 42 4.723 8.030 0.200 1.00 0.00 H new ATOM 0 HA CYS A 42 4.103 5.321 1.178 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.036 6.246 -1.295 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.746 5.869 -1.235 1.00 0.00 H new ATOM 635 N PRO A 43 6.371 4.640 1.983 1.00 0.00 N ATOM 636 CA PRO A 43 7.641 4.325 2.614 1.00 0.00 C ATOM 637 C PRO A 43 8.681 3.906 1.573 1.00 0.00 C ATOM 638 O PRO A 43 8.333 3.564 0.444 1.00 0.00 O ATOM 639 CB PRO A 43 7.322 3.223 3.611 1.00 0.00 C ATOM 640 CG PRO A 43 5.987 2.641 3.176 1.00 0.00 C ATOM 641 CD PRO A 43 5.365 3.599 2.174 1.00 0.00 C ATOM 0 HA PRO A 43 8.085 5.184 3.118 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.100 2.459 3.611 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.264 3.619 4.625 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.127 1.658 2.727 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.330 2.508 4.036 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.133 3.095 1.236 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.431 4.015 2.551 1.00 0.00 H new ATOM 649 N LYS A 44 9.939 3.947 1.989 1.00 0.00 N ATOM 650 CA LYS A 44 11.032 3.577 1.107 1.00 0.00 C ATOM 651 C LYS A 44 10.930 2.087 0.774 1.00 0.00 C ATOM 652 O LYS A 44 10.561 1.280 1.626 1.00 0.00 O ATOM 653 CB LYS A 44 12.375 3.979 1.720 1.00 0.00 C ATOM 654 CG LYS A 44 13.539 3.526 0.836 1.00 0.00 C ATOM 655 CD LYS A 44 14.514 4.677 0.580 1.00 0.00 C ATOM 656 CE LYS A 44 14.221 5.357 -0.759 1.00 0.00 C ATOM 657 NZ LYS A 44 15.478 5.813 -1.394 1.00 0.00 N ATOM 0 H LYS A 44 10.225 4.231 2.926 1.00 0.00 H new ATOM 0 HA LYS A 44 10.962 4.121 0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.411 5.061 1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.473 3.537 2.711 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.064 2.700 1.315 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.155 3.152 -0.113 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.440 5.407 1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.537 4.300 0.584 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.703 4.663 -1.421 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.556 6.206 -0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.262 6.272 -2.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.957 6.492 -0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.100 4.996 -1.559 1.00 0.00 H new ATOM 670 N SER A 45 11.264 1.767 -0.468 1.00 0.00 N ATOM 671 CA SER A 45 11.215 0.388 -0.924 1.00 0.00 C ATOM 672 C SER A 45 12.595 -0.259 -0.784 1.00 0.00 C ATOM 673 O SER A 45 13.588 0.278 -1.272 1.00 0.00 O ATOM 674 CB SER A 45 10.734 0.304 -2.374 1.00 0.00 C ATOM 675 OG SER A 45 9.323 0.120 -2.458 1.00 0.00 O ATOM 0 H SER A 45 11.569 2.439 -1.172 1.00 0.00 H new ATOM 0 HA SER A 45 10.502 -0.153 -0.301 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.013 1.216 -2.902 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.238 -0.522 -2.876 1.00 0.00 H new ATOM 0 HG SER A 45 9.042 0.166 -3.396 1.00 0.00 H new ATOM 681 N SER A 46 12.612 -1.403 -0.117 1.00 0.00 N ATOM 682 CA SER A 46 13.853 -2.129 0.093 1.00 0.00 C ATOM 683 C SER A 46 13.832 -3.440 -0.696 1.00 0.00 C ATOM 684 O SER A 46 12.817 -3.793 -1.294 1.00 0.00 O ATOM 685 CB SER A 46 14.084 -2.408 1.579 1.00 0.00 C ATOM 686 OG SER A 46 13.323 -3.522 2.038 1.00 0.00 O ATOM 0 H SER A 46 11.786 -1.846 0.285 1.00 0.00 H new ATOM 0 HA SER A 46 14.676 -1.510 -0.264 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.143 -2.597 1.752 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.819 -1.524 2.159 1.00 0.00 H new ATOM 0 HG SER A 46 12.484 -3.575 1.534 1.00 0.00 H new ATOM 692 N LEU A 47 14.966 -4.126 -0.673 1.00 0.00 N ATOM 693 CA LEU A 47 15.090 -5.390 -1.378 1.00 0.00 C ATOM 694 C LEU A 47 14.271 -6.458 -0.651 1.00 0.00 C ATOM 695 O LEU A 47 13.370 -7.059 -1.235 1.00 0.00 O ATOM 696 CB LEU A 47 16.564 -5.761 -1.556 1.00 0.00 C ATOM 697 CG LEU A 47 17.275 -5.127 -2.754 1.00 0.00 C ATOM 698 CD1 LEU A 47 18.778 -5.413 -2.713 1.00 0.00 C ATOM 699 CD2 LEU A 47 16.641 -5.580 -4.071 1.00 0.00 C ATOM 0 H LEU A 47 15.807 -3.830 -0.177 1.00 0.00 H new ATOM 0 HA LEU A 47 14.682 -5.306 -2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 47 17.101 -5.480 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.637 -6.845 -1.647 1.00 0.00 H new ATOM 0 HG LEU A 47 17.151 -4.046 -2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 47 19.260 -4.952 -3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 47 19.202 -5.001 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 47 18.944 -6.490 -2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.165 -5.115 -4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 47 16.713 -6.664 -4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 47 15.592 -5.284 -4.091 1.00 0.00 H new ATOM 709 N LEU A 48 14.612 -6.661 0.613 1.00 0.00 N ATOM 710 CA LEU A 48 13.919 -7.646 1.426 1.00 0.00 C ATOM 711 C LEU A 48 12.410 -7.502 1.219 1.00 0.00 C ATOM 712 O LEU A 48 11.754 -8.425 0.740 1.00 0.00 O ATOM 713 CB LEU A 48 14.353 -7.535 2.889 1.00 0.00 C ATOM 714 CG LEU A 48 14.014 -8.730 3.782 1.00 0.00 C ATOM 715 CD1 LEU A 48 14.731 -9.993 3.303 1.00 0.00 C ATOM 716 CD2 LEU A 48 14.317 -8.421 5.249 1.00 0.00 C ATOM 0 H LEU A 48 15.359 -6.160 1.094 1.00 0.00 H new ATOM 0 HA LEU A 48 14.189 -8.655 1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.432 -7.381 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.893 -6.645 3.317 1.00 0.00 H new ATOM 0 HG LEU A 48 12.943 -8.920 3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.473 -10.827 3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.423 -10.221 2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.809 -9.832 3.330 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.067 -9.287 5.862 1.00 0.00 H new ATOM 0 HD22 LEU A 48 15.376 -8.191 5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.724 -7.565 5.571 1.00 0.00 H new ATOM 726 N VAL A 49 11.904 -6.335 1.590 1.00 0.00 N ATOM 727 CA VAL A 49 10.484 -6.057 1.451 1.00 0.00 C ATOM 728 C VAL A 49 10.293 -4.854 0.525 1.00 0.00 C ATOM 729 O VAL A 49 11.164 -3.991 0.435 1.00 0.00 O ATOM 730 CB VAL A 49 9.853 -5.856 2.831 1.00 0.00 C ATOM 731 CG1 VAL A 49 10.053 -7.092 3.710 1.00 0.00 C ATOM 732 CG2 VAL A 49 10.409 -4.604 3.511 1.00 0.00 C ATOM 0 H VAL A 49 12.451 -5.571 1.987 1.00 0.00 H new ATOM 0 HA VAL A 49 9.971 -6.904 0.994 1.00 0.00 H new ATOM 0 HB VAL A 49 8.781 -5.713 2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.595 -6.923 4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.587 -7.955 3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.119 -7.279 3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.944 -4.485 4.490 1.00 0.00 H new ATOM 0 HG22 VAL A 49 11.488 -4.704 3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.192 -3.730 2.897 1.00 0.00 H new ATOM 740 N LYS A 50 9.146 -4.836 -0.139 1.00 0.00 N ATOM 741 CA LYS A 50 8.829 -3.754 -1.054 1.00 0.00 C ATOM 742 C LYS A 50 7.409 -3.257 -0.778 1.00 0.00 C ATOM 743 O LYS A 50 6.564 -4.014 -0.302 1.00 0.00 O ATOM 744 CB LYS A 50 9.056 -4.193 -2.502 1.00 0.00 C ATOM 745 CG LYS A 50 9.267 -2.984 -3.415 1.00 0.00 C ATOM 746 CD LYS A 50 10.494 -3.179 -4.309 1.00 0.00 C ATOM 747 CE LYS A 50 10.099 -3.786 -5.657 1.00 0.00 C ATOM 748 NZ LYS A 50 11.246 -3.761 -6.592 1.00 0.00 N ATOM 0 H LYS A 50 8.425 -5.554 -0.061 1.00 0.00 H new ATOM 0 HA LYS A 50 9.499 -2.910 -0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.925 -4.849 -2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.199 -4.770 -2.849 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.382 -2.832 -4.034 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.392 -2.085 -2.811 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.988 -2.221 -4.468 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.213 -3.829 -3.810 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.760 -4.812 -5.515 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.263 -3.230 -6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.961 -4.176 -7.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.551 -2.778 -6.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.033 -4.311 -6.191 1.00 0.00 H new ATOM 761 N TYR A 51 7.189 -1.988 -1.088 1.00 0.00 N ATOM 762 CA TYR A 51 5.885 -1.381 -0.878 1.00 0.00 C ATOM 763 C TYR A 51 5.381 -0.710 -2.157 1.00 0.00 C ATOM 764 O TYR A 51 6.175 -0.261 -2.982 1.00 0.00 O ATOM 765 CB TYR A 51 6.085 -0.313 0.199 1.00 0.00 C ATOM 766 CG TYR A 51 6.967 -0.764 1.366 1.00 0.00 C ATOM 767 CD1 TYR A 51 6.774 -2.005 1.937 1.00 0.00 C ATOM 768 CD2 TYR A 51 7.955 0.071 1.846 1.00 0.00 C ATOM 769 CE1 TYR A 51 7.604 -2.428 3.035 1.00 0.00 C ATOM 770 CE2 TYR A 51 8.785 -0.352 2.944 1.00 0.00 C ATOM 771 CZ TYR A 51 8.568 -1.581 3.484 1.00 0.00 C ATOM 772 OH TYR A 51 9.352 -1.982 4.521 1.00 0.00 O ATOM 0 H TYR A 51 7.892 -1.363 -1.483 1.00 0.00 H new ATOM 0 HA TYR A 51 5.153 -2.135 -0.588 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.529 0.571 -0.258 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.111 -0.016 0.587 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.001 -2.659 1.561 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.106 1.042 1.398 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.464 -3.397 3.492 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.562 0.292 3.330 1.00 0.00 H new ATOM 0 HH TYR A 51 9.998 -1.277 4.735 1.00 0.00 H new ATOM 782 N VAL A 52 4.063 -0.663 -2.283 1.00 0.00 N ATOM 783 CA VAL A 52 3.443 -0.054 -3.447 1.00 0.00 C ATOM 784 C VAL A 52 2.354 0.918 -2.990 1.00 0.00 C ATOM 785 O VAL A 52 1.661 0.663 -2.006 1.00 0.00 O ATOM 786 CB VAL A 52 2.918 -1.140 -4.388 1.00 0.00 C ATOM 787 CG1 VAL A 52 2.162 -0.525 -5.568 1.00 0.00 C ATOM 788 CG2 VAL A 52 4.055 -2.040 -4.876 1.00 0.00 C ATOM 0 H VAL A 52 3.407 -1.037 -1.597 1.00 0.00 H new ATOM 0 HA VAL A 52 4.176 0.522 -4.013 1.00 0.00 H new ATOM 0 HB VAL A 52 2.218 -1.759 -3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.800 -1.319 -6.221 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.316 0.054 -5.196 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.831 0.129 -6.128 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.654 -2.803 -5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.790 -1.439 -5.412 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.532 -2.520 -4.021 1.00 0.00 H new ATOM 796 N CYS A 53 2.236 2.013 -3.727 1.00 0.00 N ATOM 797 CA CYS A 53 1.243 3.025 -3.409 1.00 0.00 C ATOM 798 C CYS A 53 0.541 3.433 -4.706 1.00 0.00 C ATOM 799 O CYS A 53 1.092 3.267 -5.793 1.00 0.00 O ATOM 800 CB CYS A 53 1.867 4.227 -2.697 1.00 0.00 C ATOM 801 SG CYS A 53 2.313 3.934 -0.946 1.00 0.00 S ATOM 0 H CYS A 53 2.811 2.221 -4.543 1.00 0.00 H new ATOM 0 HA CYS A 53 0.511 2.613 -2.714 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.763 4.529 -3.240 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.169 5.063 -2.745 1.00 0.00 H new ATOM 806 N CYS A 54 -0.665 3.959 -4.549 1.00 0.00 N ATOM 807 CA CYS A 54 -1.448 4.391 -5.694 1.00 0.00 C ATOM 808 C CYS A 54 -2.612 5.244 -5.185 1.00 0.00 C ATOM 809 O CYS A 54 -2.869 5.296 -3.984 1.00 0.00 O ATOM 810 CB CYS A 54 -1.932 3.204 -6.529 1.00 0.00 C ATOM 811 SG CYS A 54 -2.068 1.626 -5.613 1.00 0.00 S ATOM 0 H CYS A 54 -1.119 4.096 -3.646 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.825 4.988 -6.360 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.907 3.448 -6.951 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.248 3.064 -7.366 1.00 0.00 H new ATOM 816 N ASN A 55 -3.284 5.892 -6.126 1.00 0.00 N ATOM 817 CA ASN A 55 -4.415 6.740 -5.788 1.00 0.00 C ATOM 818 C ASN A 55 -5.627 6.323 -6.623 1.00 0.00 C ATOM 819 O ASN A 55 -6.063 7.062 -7.504 1.00 0.00 O ATOM 820 CB ASN A 55 -4.113 8.208 -6.093 1.00 0.00 C ATOM 821 CG ASN A 55 -3.793 8.405 -7.576 1.00 0.00 C ATOM 822 OD1 ASN A 55 -2.972 7.714 -8.158 1.00 0.00 O ATOM 823 ND2 ASN A 55 -4.484 9.383 -8.153 1.00 0.00 N ATOM 0 H ASN A 55 -3.067 5.847 -7.122 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.615 6.627 -4.722 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.969 8.824 -5.817 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.271 8.543 -5.488 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.342 9.593 -9.141 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.156 9.923 -7.608 1.00 0.00 H new ATOM 830 N THR A 56 -6.138 5.139 -6.316 1.00 0.00 N ATOM 831 CA THR A 56 -7.292 4.615 -7.028 1.00 0.00 C ATOM 832 C THR A 56 -8.113 3.704 -6.113 1.00 0.00 C ATOM 833 O THR A 56 -7.598 3.181 -5.126 1.00 0.00 O ATOM 834 CB THR A 56 -6.789 3.914 -8.291 1.00 0.00 C ATOM 835 OG1 THR A 56 -6.025 2.817 -7.800 1.00 0.00 O ATOM 836 CG2 THR A 56 -5.775 4.759 -9.065 1.00 0.00 C ATOM 0 H THR A 56 -5.774 4.528 -5.584 1.00 0.00 H new ATOM 0 HA THR A 56 -7.968 5.415 -7.330 1.00 0.00 H new ATOM 0 HB THR A 56 -7.635 3.680 -8.937 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.220 2.708 -8.348 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.450 4.215 -9.952 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.238 5.699 -9.365 1.00 0.00 H new ATOM 0 HG23 THR A 56 -4.913 4.965 -8.430 1.00 0.00 H new ATOM 843 N ASP A 57 -9.392 3.518 -6.447 1.00 0.00 N ATOM 844 CA ASP A 57 -10.273 2.678 -5.661 1.00 0.00 C ATOM 845 C ASP A 57 -9.817 1.229 -5.749 1.00 0.00 C ATOM 846 O ASP A 57 -9.650 0.694 -6.843 1.00 0.00 O ATOM 847 CB ASP A 57 -11.704 2.827 -6.170 1.00 0.00 C ATOM 848 CG ASP A 57 -12.487 3.810 -5.312 1.00 0.00 C ATOM 849 OD1 ASP A 57 -12.181 3.876 -4.102 1.00 0.00 O ATOM 850 OD2 ASP A 57 -13.377 4.478 -5.881 1.00 0.00 O ATOM 0 H ASP A 57 -9.834 3.944 -7.262 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.239 2.986 -4.616 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.692 3.170 -7.204 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.200 1.856 -6.162 1.00 0.00 H new ATOM 856 N LYS A 58 -9.627 0.629 -4.582 1.00 0.00 N ATOM 857 CA LYS A 58 -9.191 -0.756 -4.516 1.00 0.00 C ATOM 858 C LYS A 58 -7.900 -0.918 -5.320 1.00 0.00 C ATOM 859 O LYS A 58 -7.808 -1.788 -6.185 1.00 0.00 O ATOM 860 CB LYS A 58 -10.315 -1.693 -4.962 1.00 0.00 C ATOM 861 CG LYS A 58 -10.063 -3.122 -4.476 1.00 0.00 C ATOM 862 CD LYS A 58 -10.362 -4.138 -5.581 1.00 0.00 C ATOM 863 CE LYS A 58 -11.851 -4.491 -5.612 1.00 0.00 C ATOM 864 NZ LYS A 58 -12.548 -3.706 -6.654 1.00 0.00 N ATOM 0 H LYS A 58 -9.767 1.076 -3.676 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.964 -1.036 -3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.268 -1.335 -4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.392 -1.683 -6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.026 -3.223 -4.155 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.688 -3.330 -3.607 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.061 -3.730 -6.546 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.774 -5.041 -5.419 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.974 -5.556 -5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -12.298 -4.292 -4.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.557 -3.958 -6.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.446 -2.691 -6.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.132 -3.916 -7.584 1.00 0.00 H new ATOM 877 N CYS A 59 -6.934 -0.067 -5.007 1.00 0.00 N ATOM 878 CA CYS A 59 -5.652 -0.106 -5.689 1.00 0.00 C ATOM 879 C CYS A 59 -4.728 -1.056 -4.924 1.00 0.00 C ATOM 880 O CYS A 59 -4.089 -1.920 -5.520 1.00 0.00 O ATOM 881 CB CYS A 59 -5.044 1.291 -5.830 1.00 0.00 C ATOM 882 SG CYS A 59 -3.757 1.696 -4.594 1.00 0.00 S ATOM 0 H CYS A 59 -7.014 0.654 -4.290 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.789 -0.476 -6.705 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.613 1.385 -6.827 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.843 2.029 -5.757 1.00 0.00 H new ATOM 887 N ASN A 60 -4.688 -0.863 -3.613 1.00 0.00 N ATOM 888 CA ASN A 60 -3.854 -1.691 -2.760 1.00 0.00 C ATOM 889 C ASN A 60 -4.564 -3.020 -2.495 1.00 0.00 C ATOM 890 O ASN A 60 -5.353 -3.481 -3.318 1.00 0.00 O ATOM 891 CB ASN A 60 -3.600 -1.014 -1.412 1.00 0.00 C ATOM 892 CG ASN A 60 -4.783 -1.220 -0.463 1.00 0.00 C ATOM 893 OD1 ASN A 60 -5.906 -1.462 -0.874 1.00 0.00 O ATOM 894 ND2 ASN A 60 -4.468 -1.112 0.824 1.00 0.00 N ATOM 0 H ASN A 60 -5.220 -0.145 -3.122 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.903 -1.848 -3.269 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.694 -1.420 -0.962 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.431 0.052 -1.563 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.187 -1.234 1.537 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.507 -0.908 1.098 1.00 0.00 H new